smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cc(CNc2ccc3ccc4cccnc4c3n2)cc[nH+]1 ZINC001156756194 1089680214 /nfs/dbraw/zinc/68/02/14/1089680214.db2.gz RKLKEBXQTWQOOO-UHFFFAOYSA-N 1 2 301.353 3.372 20 5 DGBDLO Cc1[nH+]c2ccc(N)cc2n1-c1c(F)ccc([N+](=O)[O-])c1F ZINC001215295299 1093952240 /nfs/dbraw/zinc/95/22/40/1093952240.db2.gz UYYGWLSXSOBOOI-UHFFFAOYSA-N 1 2 304.256 3.103 20 5 DGBDLO CC(C)(C)c1ccc(O[C@@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218006167 1094555073 /nfs/dbraw/zinc/55/50/73/1094555073.db2.gz KRWLMWAAVJZBLO-CYBMUJFWSA-N 1 2 314.332 3.268 20 5 DGBDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001122584032 1095010912 /nfs/dbraw/zinc/01/09/12/1095010912.db2.gz GWEZTJPOHOMCLO-LBPRGKRZSA-N 1 2 312.753 3.026 20 5 DGBDLO CC(C)[N@H+]1CCC[C@H]1C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001122584032 1095010923 /nfs/dbraw/zinc/01/09/23/1095010923.db2.gz GWEZTJPOHOMCLO-LBPRGKRZSA-N 1 2 312.753 3.026 20 5 DGBDLO COc1cc(NCc2[nH]c(C)c(C)[nH+]2)c(Cl)cc1[N+](=O)[O-] ZINC001339825101 1095746332 /nfs/dbraw/zinc/74/63/32/1095746332.db2.gz WYCDTIGTHJIVGX-UHFFFAOYSA-N 1 2 310.741 3.209 20 5 DGBDLO Cc1ccc(COC2C[NH+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001223221709 1095907158 /nfs/dbraw/zinc/90/71/58/1095907158.db2.gz AMJMQPCFZSHFEC-UHFFFAOYSA-N 1 2 312.369 3.304 20 5 DGBDLO CC(C)OC1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232224379 1097972498 /nfs/dbraw/zinc/97/24/98/1097972498.db2.gz HLXLFQLPCGNITC-UHFFFAOYSA-N 1 2 307.397 3.392 20 5 DGBDLO COc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC001176362618 1098332636 /nfs/dbraw/zinc/33/26/36/1098332636.db2.gz FCEZFURFOQSWET-UHFFFAOYSA-N 1 2 314.345 3.342 20 5 DGBDLO CC(C)[NH+]1CC(Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234364425 1098543942 /nfs/dbraw/zinc/54/39/42/1098543942.db2.gz SCJHAQVFTQBWCG-UHFFFAOYSA-N 1 2 319.405 3.057 20 5 DGBDLO COc1c(C)c[nH+]c(CSCc2onc(C)c2[N+](=O)[O-])c1C ZINC001330685505 1104616877 /nfs/dbraw/zinc/61/68/77/1104616877.db2.gz PVTSYRDZTCWUJY-UHFFFAOYSA-N 1 2 323.374 3.345 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2nc3cc(-n4cc[nH+]c4)c(F)cc3[nH]2)o1 ZINC001250670050 1105557933 /nfs/dbraw/zinc/55/79/33/1105557933.db2.gz YBCCPSLDRAAZAW-UHFFFAOYSA-N 1 2 313.248 3.056 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000181471398 199301625 /nfs/dbraw/zinc/30/16/25/199301625.db2.gz NWASKGQFWYRMEP-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000181471398 199301627 /nfs/dbraw/zinc/30/16/27/199301627.db2.gz NWASKGQFWYRMEP-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO CCCc1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181806684 199354095 /nfs/dbraw/zinc/35/40/95/199354095.db2.gz JKHYLNOMSKSQIZ-LLVKDONJSA-N 1 2 304.350 3.090 20 5 DGBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000103862759 432013304 /nfs/dbraw/zinc/01/33/04/432013304.db2.gz FRFAJJXCQRURMU-GQSKFBFOSA-N 1 2 318.373 3.026 20 5 DGBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000103862759 432013305 /nfs/dbraw/zinc/01/33/05/432013305.db2.gz FRFAJJXCQRURMU-GQSKFBFOSA-N 1 2 318.373 3.026 20 5 DGBDLO COC[C@H](C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000141046964 186029278 /nfs/dbraw/zinc/02/92/78/186029278.db2.gz PLSHOPWUBAEZON-LLVKDONJSA-N 1 2 316.361 3.055 20 5 DGBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000277153197 213329736 /nfs/dbraw/zinc/32/97/36/213329736.db2.gz GAVAAHRBEVXVHE-CMPLNLGQSA-N 1 2 317.393 3.386 20 5 DGBDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000277153206 213330483 /nfs/dbraw/zinc/33/04/83/213330483.db2.gz GAVAAHRBEVXVHE-ZYHUDNBSSA-N 1 2 317.393 3.386 20 5 DGBDLO Cc1ccc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c[nH+]1 ZINC000331894939 234246733 /nfs/dbraw/zinc/24/67/33/234246733.db2.gz HBOPYZXZGSSUQB-KGLIPLIRSA-N 1 2 301.350 3.091 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000281344836 216238112 /nfs/dbraw/zinc/23/81/12/216238112.db2.gz SYRGWRSEFJFIGM-INIZCTEOSA-N 1 2 300.362 3.056 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000281344836 216238114 /nfs/dbraw/zinc/23/81/14/216238114.db2.gz SYRGWRSEFJFIGM-INIZCTEOSA-N 1 2 300.362 3.056 20 5 DGBDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292777214 223241907 /nfs/dbraw/zinc/24/19/07/223241907.db2.gz XENIICUUAICHTO-UHFFFAOYSA-N 1 2 304.325 3.080 20 5 DGBDLO Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000072709879 283757946 /nfs/dbraw/zinc/75/79/46/283757946.db2.gz GMVUZZANMGPMRI-UHFFFAOYSA-N 1 2 303.343 3.029 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nccn1CC ZINC000449562652 240291060 /nfs/dbraw/zinc/29/10/60/240291060.db2.gz MTOVSOBGHOFISW-LBPRGKRZSA-N 1 2 318.377 3.061 20 5 DGBDLO C[C@]1(c2ccccc2)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000121544850 284200178 /nfs/dbraw/zinc/20/01/78/284200178.db2.gz AQRNWHYSVUMBGF-GOSISDBHSA-N 1 2 312.369 3.342 20 5 DGBDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000121544850 284200179 /nfs/dbraw/zinc/20/01/79/284200179.db2.gz AQRNWHYSVUMBGF-GOSISDBHSA-N 1 2 312.369 3.342 20 5 DGBDLO Cc1noc(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000127058379 284326051 /nfs/dbraw/zinc/32/60/51/284326051.db2.gz DEEBXFNQRAWQDF-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO Cc1noc(C)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000127058379 284326053 /nfs/dbraw/zinc/32/60/53/284326053.db2.gz DEEBXFNQRAWQDF-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO CCCc1csc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000494025782 246106140 /nfs/dbraw/zinc/10/61/40/246106140.db2.gz DYYBJYZPCYTLBB-UHFFFAOYSA-N 1 2 321.402 3.302 20 5 DGBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000267638613 206188436 /nfs/dbraw/zinc/18/84/36/206188436.db2.gz QCYNSNMPWWZUIL-JTQLQIEISA-N 1 2 307.375 3.049 20 5 DGBDLO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccnc1 ZINC000181639877 432139854 /nfs/dbraw/zinc/13/98/54/432139854.db2.gz UONIPSXOJRPEIB-GFCCVEGCSA-N 1 2 324.340 3.496 20 5 DGBDLO CC(C)[N@H+](Cc1nc(C2CC2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350042 184295319 /nfs/dbraw/zinc/29/53/19/184295319.db2.gz GBAYBJGJSYXXCU-UHFFFAOYSA-N 1 2 316.361 3.266 20 5 DGBDLO CC(C)[N@@H+](Cc1nc(C2CC2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350042 184295321 /nfs/dbraw/zinc/29/53/21/184295321.db2.gz GBAYBJGJSYXXCU-UHFFFAOYSA-N 1 2 316.361 3.266 20 5 DGBDLO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000338279046 253255119 /nfs/dbraw/zinc/25/51/19/253255119.db2.gz WVHOBANZKCGIKV-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000338279046 253255123 /nfs/dbraw/zinc/25/51/23/253255123.db2.gz WVHOBANZKCGIKV-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc(Cl)s1 ZINC000338357299 253272207 /nfs/dbraw/zinc/27/22/07/253272207.db2.gz ZCSHMONKDDFJNQ-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc(Cl)s1 ZINC000338357299 253272210 /nfs/dbraw/zinc/27/22/10/253272210.db2.gz ZCSHMONKDDFJNQ-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO COc1cc(C[NH2+][C@@H](C)c2ccncc2F)c([N+](=O)[O-])cc1F ZINC000338369057 253275005 /nfs/dbraw/zinc/27/50/05/253275005.db2.gz LKIRGLPHOWTRPX-VIFPVBQESA-N 1 2 323.299 3.127 20 5 DGBDLO CC(C)[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000338883454 253363730 /nfs/dbraw/zinc/36/37/30/253363730.db2.gz NHFTYZXAWJXLSP-GFCCVEGCSA-N 1 2 322.752 3.098 20 5 DGBDLO Cc1cccc(OCC[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000338891203 253364813 /nfs/dbraw/zinc/36/48/13/253364813.db2.gz FCDZJYPZYMJMSJ-UHFFFAOYSA-N 1 2 316.357 3.120 20 5 DGBDLO Cc1cccc(OCC[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000338891203 253364814 /nfs/dbraw/zinc/36/48/14/253364814.db2.gz FCDZJYPZYMJMSJ-UHFFFAOYSA-N 1 2 316.357 3.120 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOCC34CC4)o2)c1 ZINC000338995256 253385017 /nfs/dbraw/zinc/38/50/17/253385017.db2.gz FJIVRVWANPSJOY-UHFFFAOYSA-N 1 2 314.341 3.220 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCOCC34CC4)o2)c1 ZINC000338995256 253385018 /nfs/dbraw/zinc/38/50/18/253385018.db2.gz FJIVRVWANPSJOY-UHFFFAOYSA-N 1 2 314.341 3.220 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000339007793 253388655 /nfs/dbraw/zinc/38/86/55/253388655.db2.gz WVIKHSOJLDCVGO-CQSZACIVSA-N 1 2 317.345 3.237 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000339007793 253388657 /nfs/dbraw/zinc/38/86/57/253388657.db2.gz WVIKHSOJLDCVGO-CQSZACIVSA-N 1 2 317.345 3.237 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC4(CCC4(F)F)C3)c2c1 ZINC000413307996 285147964 /nfs/dbraw/zinc/14/79/64/285147964.db2.gz JAFUXIIVSNSJIR-UHFFFAOYSA-N 1 2 305.284 3.379 20 5 DGBDLO COc1cc(NCCCc2cccc(C)[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000343239544 254119048 /nfs/dbraw/zinc/11/90/48/254119048.db2.gz QQBWUFUEADTODF-UHFFFAOYSA-N 1 2 319.336 3.491 20 5 DGBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000344707292 254298192 /nfs/dbraw/zinc/29/81/92/254298192.db2.gz QGVWGYUSDBKKCP-HNNXBMFYSA-N 1 2 320.389 3.246 20 5 DGBDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000344707292 254298193 /nfs/dbraw/zinc/29/81/93/254298193.db2.gz QGVWGYUSDBKKCP-HNNXBMFYSA-N 1 2 320.389 3.246 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)c(F)c1 ZINC000341547443 285324698 /nfs/dbraw/zinc/32/46/98/285324698.db2.gz IEGHBQQMRBTZAX-AWEZNQCLSA-N 1 2 306.268 3.096 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3ccc(F)cc32)c(F)c1 ZINC000341547445 285324711 /nfs/dbraw/zinc/32/47/11/285324711.db2.gz IEGHBQQMRBTZAX-CQSZACIVSA-N 1 2 306.268 3.096 20 5 DGBDLO O=[N+]([O-])c1cccc2ncnc(Sc3[nH+]cc4ccccn43)c21 ZINC000357337639 285722405 /nfs/dbraw/zinc/72/24/05/285722405.db2.gz PDMBBTZDZNIDBR-UHFFFAOYSA-N 1 2 323.337 3.337 20 5 DGBDLO COc1cccc2c1C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595520289 400174878 /nfs/dbraw/zinc/17/48/78/400174878.db2.gz JJHLOVWMEUTACA-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cccc2c1C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595520289 400174883 /nfs/dbraw/zinc/17/48/83/400174883.db2.gz JJHLOVWMEUTACA-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO Cc1noc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595323158 400127209 /nfs/dbraw/zinc/12/72/09/400127209.db2.gz RRYGYXCRKFGBBW-ZDUSSCGKSA-N 1 2 319.386 3.181 20 5 DGBDLO Cc1noc(C[N@H+]2CCSC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595323158 400127213 /nfs/dbraw/zinc/12/72/13/400127213.db2.gz RRYGYXCRKFGBBW-ZDUSSCGKSA-N 1 2 319.386 3.181 20 5 DGBDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000092040718 400150541 /nfs/dbraw/zinc/15/05/41/400150541.db2.gz MPXAGXAAAJBULM-HZPDHXFCSA-N 1 2 320.389 3.080 20 5 DGBDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000092040718 400150544 /nfs/dbraw/zinc/15/05/44/400150544.db2.gz MPXAGXAAAJBULM-HZPDHXFCSA-N 1 2 320.389 3.080 20 5 DGBDLO CC[C@H](CO)Nc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000600789745 400154804 /nfs/dbraw/zinc/15/48/04/400154804.db2.gz IEJRUACGIMBKIH-CQSZACIVSA-N 1 2 301.346 3.148 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000595504709 400170763 /nfs/dbraw/zinc/17/07/63/400170763.db2.gz HKSHCAZBCSOUQR-OAHLLOKOSA-N 1 2 308.353 3.125 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000595504709 400170767 /nfs/dbraw/zinc/17/07/67/400170767.db2.gz HKSHCAZBCSOUQR-OAHLLOKOSA-N 1 2 308.353 3.125 20 5 DGBDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595681024 400225508 /nfs/dbraw/zinc/22/55/08/400225508.db2.gz JLCWRWDUQDHWPX-NSHDSACASA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595681024 400225509 /nfs/dbraw/zinc/22/55/09/400225509.db2.gz JLCWRWDUQDHWPX-NSHDSACASA-N 1 2 310.781 3.392 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000601151944 400249417 /nfs/dbraw/zinc/24/94/17/400249417.db2.gz IIUJSLDHEVDDSN-UHFFFAOYSA-N 1 2 312.272 3.387 20 5 DGBDLO Cc1noc(C[NH2+]C2(c3ccc(C)cc3)CCC2)c1[N+](=O)[O-] ZINC000595566626 400191069 /nfs/dbraw/zinc/19/10/69/400191069.db2.gz ICRFBXJLGJKUPP-UHFFFAOYSA-N 1 2 301.346 3.369 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000595569259 400191161 /nfs/dbraw/zinc/19/11/61/400191161.db2.gz QFMIIYKXCJFTCI-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000595569259 400191163 /nfs/dbraw/zinc/19/11/63/400191163.db2.gz QFMIIYKXCJFTCI-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000595597142 400197422 /nfs/dbraw/zinc/19/74/22/400197422.db2.gz WESSGYZQHNPVGZ-GFCCVEGCSA-N 1 2 308.378 3.147 20 5 DGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000595597142 400197425 /nfs/dbraw/zinc/19/74/25/400197425.db2.gz WESSGYZQHNPVGZ-GFCCVEGCSA-N 1 2 308.378 3.147 20 5 DGBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC000610012698 400207395 /nfs/dbraw/zinc/20/73/95/400207395.db2.gz AMBYWRXIOSZZDP-GFCCVEGCSA-N 1 2 308.378 3.147 20 5 DGBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC000610012698 400207399 /nfs/dbraw/zinc/20/73/99/400207399.db2.gz AMBYWRXIOSZZDP-GFCCVEGCSA-N 1 2 308.378 3.147 20 5 DGBDLO COc1cc(NCCc2ccc(C)[nH+]c2)c([N+](=O)[O-])cc1C ZINC000596120219 400322975 /nfs/dbraw/zinc/32/29/75/400322975.db2.gz PDQCFWGRRVKRGB-UHFFFAOYSA-N 1 2 301.346 3.270 20 5 DGBDLO Cc1c(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595912770 400293759 /nfs/dbraw/zinc/29/37/59/400293759.db2.gz BCIOLTURJGZSTR-ZUZCIYMTSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1c(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595912770 400293762 /nfs/dbraw/zinc/29/37/62/400293762.db2.gz BCIOLTURJGZSTR-ZUZCIYMTSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000589686388 400320315 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Cc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc(C2CC2)[nH+]1 ZINC000088764182 401209201 /nfs/dbraw/zinc/20/92/01/401209201.db2.gz PYNIMFKMLRPFHO-UHFFFAOYSA-N 1 2 310.357 3.133 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCNc1ccc([N+](=O)[O-])s1 ZINC000064029289 401227493 /nfs/dbraw/zinc/22/74/93/401227493.db2.gz XWNXKILSBCAVLO-UHFFFAOYSA-N 1 2 302.359 3.427 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC000595007764 401228744 /nfs/dbraw/zinc/22/87/44/401228744.db2.gz JXJPNNZPGNHZCC-LBPRGKRZSA-N 1 2 318.377 3.232 20 5 DGBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000358758847 286145462 /nfs/dbraw/zinc/14/54/62/286145462.db2.gz BDFUCCKWBAQHII-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000268293925 292288080 /nfs/dbraw/zinc/28/80/80/292288080.db2.gz VORRCPHYYLPHTH-CZUORRHYSA-N 1 2 300.362 3.187 20 5 DGBDLO CC1(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000359851991 286386435 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C[C@@]1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCC[C@H]1O ZINC000413175119 230147146 /nfs/dbraw/zinc/14/71/46/230147146.db2.gz QWAHAWSPEGYVNX-WBVHZDCISA-N 1 2 315.373 3.496 20 5 DGBDLO Nc1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c[nH+]1 ZINC000302661536 230337886 /nfs/dbraw/zinc/33/78/86/230337886.db2.gz BDYYSEPZYSQDKH-UHFFFAOYSA-N 1 2 321.340 3.246 20 5 DGBDLO Cc1cc(Cc2noc(Cc3ccc[nH+]c3C)n2)ccc1[N+](=O)[O-] ZINC000346880086 264113965 /nfs/dbraw/zinc/11/39/65/264113965.db2.gz VSKPQTNZOVMQNP-UHFFFAOYSA-N 1 2 324.340 3.171 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccn(C(F)F)n2)C2CC2)c1 ZINC000347706572 264270124 /nfs/dbraw/zinc/27/01/24/264270124.db2.gz QKQTXHCYCDFIBR-UHFFFAOYSA-N 1 2 322.315 3.351 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccn(C(F)F)n2)C2CC2)c1 ZINC000347706572 264270126 /nfs/dbraw/zinc/27/01/26/264270126.db2.gz QKQTXHCYCDFIBR-UHFFFAOYSA-N 1 2 322.315 3.351 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352441190 265051193 /nfs/dbraw/zinc/05/11/93/265051193.db2.gz UAEAJRBSAAWRHR-CVEARBPZSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352441190 265051197 /nfs/dbraw/zinc/05/11/97/265051197.db2.gz UAEAJRBSAAWRHR-CVEARBPZSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)c2cccnc21 ZINC000352583517 265097192 /nfs/dbraw/zinc/09/71/92/265097192.db2.gz PNTCQZQFRFHJAX-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO COc1cccc(NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000355370794 266053705 /nfs/dbraw/zinc/05/37/05/266053705.db2.gz CXQRZGPHJINACO-UHFFFAOYSA-N 1 2 324.340 3.401 20 5 DGBDLO Cn1cc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000369906915 271329166 /nfs/dbraw/zinc/32/91/66/271329166.db2.gz CGEKLENTYNZUFC-SFHVURJKSA-N 1 2 322.368 3.208 20 5 DGBDLO CCO[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000413323604 276359689 /nfs/dbraw/zinc/35/96/89/276359689.db2.gz YTHVMWJBBHNZQM-LRDDRELGSA-N 1 2 315.373 3.394 20 5 DGBDLO CO[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000413310241 277659340 /nfs/dbraw/zinc/65/93/40/277659340.db2.gz GTALPAHPQYHZPR-IAQYHMDHSA-N 1 2 301.346 3.004 20 5 DGBDLO COCCCNc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000600791976 430534250 /nfs/dbraw/zinc/53/42/50/430534250.db2.gz UFPRWXOMTNHOLW-UHFFFAOYSA-N 1 2 301.346 3.414 20 5 DGBDLO COc1cc[nH+]cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187515627 278070071 /nfs/dbraw/zinc/07/00/71/278070071.db2.gz QELDXMKITKMHLC-UHFFFAOYSA-N 1 2 315.329 3.374 20 5 DGBDLO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007486633 431349934 /nfs/dbraw/zinc/34/99/34/431349934.db2.gz OMOLDUHCSYLDGC-JTQLQIEISA-N 1 2 311.769 3.061 20 5 DGBDLO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007486633 431349941 /nfs/dbraw/zinc/34/99/41/431349941.db2.gz OMOLDUHCSYLDGC-JTQLQIEISA-N 1 2 311.769 3.061 20 5 DGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000114115189 431376276 /nfs/dbraw/zinc/37/62/76/431376276.db2.gz FLDHYZAGCWHKFU-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000106369271 280672913 /nfs/dbraw/zinc/67/29/13/280672913.db2.gz ZVHBCSMFEQZGDG-UHFFFAOYSA-N 1 2 318.352 3.154 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1nc3ccccc3o1)CC2 ZINC000088606237 431859081 /nfs/dbraw/zinc/85/90/81/431859081.db2.gz COWOIVCFTLTJDW-UHFFFAOYSA-N 1 2 309.325 3.294 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1nc3ccccc3o1)CC2 ZINC000088606237 431859083 /nfs/dbraw/zinc/85/90/83/431859083.db2.gz COWOIVCFTLTJDW-UHFFFAOYSA-N 1 2 309.325 3.294 20 5 DGBDLO Cc1nc2ccccc2nc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862927 431902389 /nfs/dbraw/zinc/90/23/89/431902389.db2.gz HJGUWCGANFJTCJ-UHFFFAOYSA-N 1 2 322.368 3.478 20 5 DGBDLO Cc1nc2ccccc2nc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862927 431902390 /nfs/dbraw/zinc/90/23/90/431902390.db2.gz HJGUWCGANFJTCJ-UHFFFAOYSA-N 1 2 322.368 3.478 20 5 DGBDLO CC(C)[N@H+](Cc1ncc(Cl)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000098135122 431979042 /nfs/dbraw/zinc/97/90/42/431979042.db2.gz BFUNQTQDURRMQM-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO CC(C)[N@@H+](Cc1ncc(Cl)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000098135122 431979045 /nfs/dbraw/zinc/97/90/45/431979045.db2.gz BFUNQTQDURRMQM-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173317303 432271850 /nfs/dbraw/zinc/27/18/50/432271850.db2.gz DCDYQFRWCOQXNH-ZDUSSCGKSA-N 1 2 323.356 3.026 20 5 DGBDLO COCCCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057827092 431993794 /nfs/dbraw/zinc/99/37/94/431993794.db2.gz WRZVADFDOYEIQN-UHFFFAOYSA-N 1 2 316.361 3.199 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2ccoc2C)c([N+](=O)[O-])cc1F ZINC000184251035 432372017 /nfs/dbraw/zinc/37/20/17/432372017.db2.gz ZYSDZIKJLAKJFJ-UHFFFAOYSA-N 1 2 308.309 3.276 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2ccoc2C)c([N+](=O)[O-])cc1F ZINC000184251035 432372021 /nfs/dbraw/zinc/37/20/21/432372021.db2.gz ZYSDZIKJLAKJFJ-UHFFFAOYSA-N 1 2 308.309 3.276 20 5 DGBDLO CCc1nnc([C@H](C)[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271425147 432392472 /nfs/dbraw/zinc/39/24/72/432392472.db2.gz CKKMSRZCAJOKOW-GXFFZTMASA-N 1 2 303.366 3.077 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000249870853 432359839 /nfs/dbraw/zinc/35/98/39/432359839.db2.gz JPVRYQVCEGSYNE-BXUZGUMPSA-N 1 2 319.386 3.186 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000249870853 432359841 /nfs/dbraw/zinc/35/98/41/432359841.db2.gz JPVRYQVCEGSYNE-BXUZGUMPSA-N 1 2 319.386 3.186 20 5 DGBDLO CCc1cnc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000175517899 432444593 /nfs/dbraw/zinc/44/45/93/432444593.db2.gz XBDLDDRFHDDKBF-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO CCc1cnc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000175517899 432444597 /nfs/dbraw/zinc/44/45/97/432444597.db2.gz XBDLDDRFHDDKBF-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO CCc1nc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000184681621 432421589 /nfs/dbraw/zinc/42/15/89/432421589.db2.gz VBRMBBRTAAPAFE-JTQLQIEISA-N 1 2 321.402 3.473 20 5 DGBDLO C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185688231 432524518 /nfs/dbraw/zinc/52/45/18/432524518.db2.gz DKYZCMNMGWLTQG-KBXCAEBGSA-N 1 2 313.401 3.376 20 5 DGBDLO Cc1cnc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000273247255 432572349 /nfs/dbraw/zinc/57/23/49/432572349.db2.gz BMMVZAHVSDPYJR-SECBINFHSA-N 1 2 318.358 3.352 20 5 DGBDLO CCC[C@@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194909114 432585798 /nfs/dbraw/zinc/58/57/98/432585798.db2.gz UYSPOHAQXDLYME-CYBMUJFWSA-N 1 2 316.361 3.089 20 5 DGBDLO Cc1c(C[N@@H+](C)Cc2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000177205776 432597437 /nfs/dbraw/zinc/59/74/37/432597437.db2.gz RZVCURSGOZESMA-UHFFFAOYSA-N 1 2 324.384 3.422 20 5 DGBDLO Cc1c(C[N@H+](C)Cc2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000177205776 432597442 /nfs/dbraw/zinc/59/74/42/432597442.db2.gz RZVCURSGOZESMA-UHFFFAOYSA-N 1 2 324.384 3.422 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000274261470 432643673 /nfs/dbraw/zinc/64/36/73/432643673.db2.gz UWJQFFPDHYLPAK-UWVGGRQHSA-N 1 2 306.391 3.475 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccco2)CC1 ZINC000266539621 432761671 /nfs/dbraw/zinc/76/16/71/432761671.db2.gz PFMKIYRCAFKLFS-CQSZACIVSA-N 1 2 315.373 3.067 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccco2)CC1 ZINC000266539621 432761677 /nfs/dbraw/zinc/76/16/77/432761677.db2.gz PFMKIYRCAFKLFS-CQSZACIVSA-N 1 2 315.373 3.067 20 5 DGBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000266773213 432786372 /nfs/dbraw/zinc/78/63/72/432786372.db2.gz BFPJXOYCYPNTEX-VXGBXAGGSA-N 1 2 311.345 3.049 20 5 DGBDLO CC(C)c1nnc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000296364081 432900935 /nfs/dbraw/zinc/90/09/35/432900935.db2.gz IXIYZCVVPFRVGR-AWEZNQCLSA-N 1 2 315.377 3.004 20 5 DGBDLO CCc1nnc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278871496 432910453 /nfs/dbraw/zinc/91/04/53/432910453.db2.gz XBMXWTMQLXLGHS-QMTHXVAHSA-N 1 2 315.377 3.004 20 5 DGBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341289469 433019285 /nfs/dbraw/zinc/01/92/85/433019285.db2.gz SSYKGQLBDDINAE-UHFFFAOYSA-N 1 2 309.329 3.016 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000298194759 433055231 /nfs/dbraw/zinc/05/52/31/433055231.db2.gz BUKGXZXOAGXIGA-UHFFFAOYSA-N 1 2 314.267 3.312 20 5 DGBDLO Cc1c([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)cccc1[N+](=O)[O-] ZINC000453316133 433084216 /nfs/dbraw/zinc/08/42/16/433084216.db2.gz HZDVXQYPUPLEDA-SNVBAGLBSA-N 1 2 308.769 3.141 20 5 DGBDLO Cn1cc(Cl)c(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000453316313 433087869 /nfs/dbraw/zinc/08/78/69/433087869.db2.gz KEJSSJUUMQUMJW-AWEZNQCLSA-N 1 2 320.780 3.149 20 5 DGBDLO CO[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290782394 433167334 /nfs/dbraw/zinc/16/73/34/433167334.db2.gz WOVAYZYGDRCIJQ-NEPJUHHUSA-N 1 2 316.361 3.196 20 5 DGBDLO CCc1cc(N)nc(SCc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000447784813 433277095 /nfs/dbraw/zinc/27/70/95/433277095.db2.gz FWRKLPBSIHXEKI-UHFFFAOYSA-N 1 2 324.793 3.475 20 5 DGBDLO O=[N+]([O-])c1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1Cl ZINC000374856191 433293566 /nfs/dbraw/zinc/29/35/66/433293566.db2.gz KKPBEIDTJDFGRL-GFCCVEGCSA-N 1 2 306.753 3.308 20 5 DGBDLO Cc1ccoc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291664892 433304304 /nfs/dbraw/zinc/30/43/04/433304304.db2.gz FPVTYMVWPLXYDT-UHFFFAOYSA-N 1 2 312.272 3.387 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCc2cccc(-c3[nH]cc[nH+]3)c2)n1 ZINC000354833095 433305383 /nfs/dbraw/zinc/30/53/83/433305383.db2.gz XPPJRWYTVQGDOY-UHFFFAOYSA-N 1 2 309.329 3.300 20 5 DGBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccon1 ZINC000339088894 433356396 /nfs/dbraw/zinc/35/63/96/433356396.db2.gz IKGADEGFADVBTE-QMMMGPOBSA-N 1 2 315.251 3.452 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000339070018 433339349 /nfs/dbraw/zinc/33/93/49/433339349.db2.gz GAUNQVAHCCVHRF-UHFFFAOYSA-N 1 2 302.305 3.218 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000339213101 433443146 /nfs/dbraw/zinc/44/31/46/433443146.db2.gz POXMBMLWDNQOQI-GFCCVEGCSA-N 1 2 314.341 3.084 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000339213101 433443152 /nfs/dbraw/zinc/44/31/52/433443152.db2.gz POXMBMLWDNQOQI-GFCCVEGCSA-N 1 2 314.341 3.084 20 5 DGBDLO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1csnn1 ZINC000414301408 433526260 /nfs/dbraw/zinc/52/62/60/433526260.db2.gz LZQMTDXEFNXHOQ-ZANVPECISA-N 1 2 304.375 3.175 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1nccc(C(F)F)n1 ZINC000342244604 433559305 /nfs/dbraw/zinc/55/93/05/433559305.db2.gz KGHOFDHTGIELBF-HWKANZROSA-N 1 2 320.299 3.125 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1F ZINC000283025532 433648565 /nfs/dbraw/zinc/64/85/65/433648565.db2.gz HFSSYOBQNGFUFD-UHFFFAOYSA-N 1 2 308.353 3.269 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1F ZINC000283025532 433648573 /nfs/dbraw/zinc/64/85/73/433648573.db2.gz HFSSYOBQNGFUFD-UHFFFAOYSA-N 1 2 308.353 3.269 20 5 DGBDLO COC1(C)C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000362312091 433637332 /nfs/dbraw/zinc/63/73/32/433637332.db2.gz HGLQCSFEBWCWII-UHFFFAOYSA-N 1 2 302.330 3.076 20 5 DGBDLO CCC(=O)c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000366859356 292996849 /nfs/dbraw/zinc/99/68/49/292996849.db2.gz UELPOLOWIPAIDU-CYBMUJFWSA-N 1 2 314.345 3.252 20 5 DGBDLO Cc1c(C[N@@H+]2CCOC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000362432526 433710950 /nfs/dbraw/zinc/71/09/50/433710950.db2.gz AKTXYGHPEALYJW-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1c(C[N@H+]2CCOC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000362432526 433710962 /nfs/dbraw/zinc/71/09/62/433710962.db2.gz AKTXYGHPEALYJW-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO CC(C)c1ccc(C[NH2+][C@H](C)c2csnn2)cc1[N+](=O)[O-] ZINC000414550262 433713508 /nfs/dbraw/zinc/71/35/08/433713508.db2.gz NGYDTCOMRVDXRJ-SNVBAGLBSA-N 1 2 306.391 3.421 20 5 DGBDLO Cc1cccc(CCCNc2nc3ccccc3cc2[N+](=O)[O-])[nH+]1 ZINC000343227165 433785811 /nfs/dbraw/zinc/78/58/11/433785811.db2.gz TVLPLBKREOKCNQ-UHFFFAOYSA-N 1 2 322.368 3.891 20 5 DGBDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000351944010 433806881 /nfs/dbraw/zinc/80/68/81/433806881.db2.gz QEDISXVEORDCPZ-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC000362921885 433912591 /nfs/dbraw/zinc/91/25/91/433912591.db2.gz AFGLEVRAQQDSHA-IUCAKERBSA-N 1 2 309.395 3.139 20 5 DGBDLO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285371690 433927979 /nfs/dbraw/zinc/92/79/79/433927979.db2.gz QYRQYQRLDVRTOW-NSHDSACASA-N 1 2 316.361 3.091 20 5 DGBDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285371690 433927989 /nfs/dbraw/zinc/92/79/89/433927989.db2.gz QYRQYQRLDVRTOW-NSHDSACASA-N 1 2 316.361 3.091 20 5 DGBDLO Cc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293948259 433938092 /nfs/dbraw/zinc/93/80/92/433938092.db2.gz IOZHZLXCHRKJNT-IRXDYDNUSA-N 1 2 302.374 3.047 20 5 DGBDLO Cc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293948259 433938103 /nfs/dbraw/zinc/93/81/03/433938103.db2.gz IOZHZLXCHRKJNT-IRXDYDNUSA-N 1 2 302.374 3.047 20 5 DGBDLO CCOc1cccc(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000357425081 434011930 /nfs/dbraw/zinc/01/19/30/434011930.db2.gz RSDKHSBQTUGFIL-UHFFFAOYSA-N 1 2 312.329 3.253 20 5 DGBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000304292121 433995564 /nfs/dbraw/zinc/99/55/64/433995564.db2.gz DBCNMKKQBFOQSI-MRXNPFEDSA-N 1 2 318.348 3.289 20 5 DGBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000304292121 433995571 /nfs/dbraw/zinc/99/55/71/433995571.db2.gz DBCNMKKQBFOQSI-MRXNPFEDSA-N 1 2 318.348 3.289 20 5 DGBDLO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccccc1[N+](=O)[O-] ZINC000358078842 434319577 /nfs/dbraw/zinc/31/95/77/434319577.db2.gz DSYGCBWWKGARBV-SNVBAGLBSA-N 1 2 302.359 3.155 20 5 DGBDLO CCC[C@@H]([NH2+]Cc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000391933988 434386297 /nfs/dbraw/zinc/38/62/97/434386297.db2.gz JAFOHKSWCXIWOS-CYBMUJFWSA-N 1 2 306.391 3.386 20 5 DGBDLO COc1cc(NCc2c[nH+]c(C)cc2C)c(F)cc1[N+](=O)[O-] ZINC000397024375 434430661 /nfs/dbraw/zinc/43/06/61/434430661.db2.gz UBFQWSRZESEFTA-UHFFFAOYSA-N 1 2 305.309 3.366 20 5 DGBDLO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2[nH+]ccn21 ZINC000450835020 434431785 /nfs/dbraw/zinc/43/17/85/434431785.db2.gz WETQNMCUJFELMD-GXFFZTMASA-N 1 2 309.329 3.457 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C)cc1[N+](=O)[O-])CCC2 ZINC000366685895 434483751 /nfs/dbraw/zinc/48/37/51/434483751.db2.gz HYHSODDWHYPCCD-CYBMUJFWSA-N 1 2 300.362 3.398 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)cc1OC(F)F ZINC000360224679 434553475 /nfs/dbraw/zinc/55/34/75/434553475.db2.gz KJTUEHWOSGOGID-UHFFFAOYSA-N 1 2 324.287 3.115 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000492440787 434982029 /nfs/dbraw/zinc/98/20/29/434982029.db2.gz MUMOCJSQTVJZKK-ZDUSSCGKSA-N 1 2 306.753 3.308 20 5 DGBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000492537116 435006264 /nfs/dbraw/zinc/00/62/64/435006264.db2.gz QFJVOLJUQRGWRJ-BQYQJAHWSA-N 1 2 314.345 3.080 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000494651295 435197973 /nfs/dbraw/zinc/19/79/73/435197973.db2.gz QCIAIOMDTOTIDD-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000494651295 435197976 /nfs/dbraw/zinc/19/79/76/435197976.db2.gz QCIAIOMDTOTIDD-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO CCOC(=O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)CC ZINC000475145938 435180661 /nfs/dbraw/zinc/18/06/61/435180661.db2.gz ZHUHIYCZORPMQH-LSCCZHGCSA-N 1 2 320.389 3.175 20 5 DGBDLO C[C@]1(C2CC2)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000595625406 435309502 /nfs/dbraw/zinc/30/95/02/435309502.db2.gz MITPKJQLZPXVJZ-OAHLLOKOSA-N 1 2 310.781 3.249 20 5 DGBDLO C[C@]1(C2CC2)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000595625406 435309507 /nfs/dbraw/zinc/30/95/07/435309507.db2.gz MITPKJQLZPXVJZ-OAHLLOKOSA-N 1 2 310.781 3.249 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000548097675 435669577 /nfs/dbraw/zinc/66/95/77/435669577.db2.gz RDSCBMQGVJFMFB-BONVTDFDSA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000548097675 435669581 /nfs/dbraw/zinc/66/95/81/435669581.db2.gz RDSCBMQGVJFMFB-BONVTDFDSA-N 1 2 310.781 3.248 20 5 DGBDLO CC(C)c1nnc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000519611334 435694235 /nfs/dbraw/zinc/69/42/35/435694235.db2.gz LDMLSEWMLUPDMB-GFCCVEGCSA-N 1 2 318.402 3.347 20 5 DGBDLO Cc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000561341237 314964933 /nfs/dbraw/zinc/96/49/33/314964933.db2.gz TVYFMAIZNSUTMJ-UHFFFAOYSA-N 1 2 314.389 3.496 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181543354 323258195 /nfs/dbraw/zinc/25/81/95/323258195.db2.gz ICHYEZJJYMCIFM-GOSISDBHSA-N 1 2 312.369 3.038 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181543354 323258199 /nfs/dbraw/zinc/25/81/99/323258199.db2.gz ICHYEZJJYMCIFM-GOSISDBHSA-N 1 2 312.369 3.038 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182432514 323298403 /nfs/dbraw/zinc/29/84/03/323298403.db2.gz JQRHHGRZSVGVGF-UHFFFAOYSA-N 1 2 324.340 3.200 20 5 DGBDLO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCCC2 ZINC000582503548 324238195 /nfs/dbraw/zinc/23/81/95/324238195.db2.gz PDGCWBWMQRXQPU-CVEARBPZSA-N 1 2 320.389 3.128 20 5 DGBDLO Cn1c[nH+]c2cc(Nc3ncc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000434942445 534812471 /nfs/dbraw/zinc/81/24/71/534812471.db2.gz JWJGUIPDYIQQQP-UHFFFAOYSA-N 1 2 303.709 3.274 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000432312549 534885523 /nfs/dbraw/zinc/88/55/23/534885523.db2.gz HXYJPQQDJOQEKI-LBPRGKRZSA-N 1 2 319.748 3.301 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000432135387 534885936 /nfs/dbraw/zinc/88/59/36/534885936.db2.gz HXYJPQQDJOQEKI-GFCCVEGCSA-N 1 2 319.748 3.301 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430035584 534887298 /nfs/dbraw/zinc/88/72/98/534887298.db2.gz NFCJDNKMUQMWNT-UHFFFAOYSA-N 1 2 314.238 3.441 20 5 DGBDLO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(=O)OCC ZINC000429725779 528141648 /nfs/dbraw/zinc/14/16/48/528141648.db2.gz PUEZQDCEABORRN-ZDUSSCGKSA-N 1 2 308.378 3.067 20 5 DGBDLO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(=O)OCC ZINC000429725779 528141653 /nfs/dbraw/zinc/14/16/53/528141653.db2.gz PUEZQDCEABORRN-ZDUSSCGKSA-N 1 2 308.378 3.067 20 5 DGBDLO CC1(C)CCC[C@@]1(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413295775 528977859 /nfs/dbraw/zinc/97/78/59/528977859.db2.gz JOLGNUWOGZIERU-QGZVFWFLSA-N 1 2 315.373 3.496 20 5 DGBDLO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1COC1 ZINC000451121948 535087994 /nfs/dbraw/zinc/08/79/94/535087994.db2.gz VSSMIVIHVLJFFF-UHFFFAOYSA-N 1 2 318.295 3.223 20 5 DGBDLO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1COC1 ZINC000451121948 535088001 /nfs/dbraw/zinc/08/80/01/535088001.db2.gz VSSMIVIHVLJFFF-UHFFFAOYSA-N 1 2 318.295 3.223 20 5 DGBDLO CC[N@H+](CCC(F)(F)F)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748297043 575578829 /nfs/dbraw/zinc/57/88/29/575578829.db2.gz PWSPCFRIXJZEKQ-UHFFFAOYSA-N 1 2 316.283 3.176 20 5 DGBDLO CC[N@@H+](CCC(F)(F)F)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748297043 575578833 /nfs/dbraw/zinc/57/88/33/575578833.db2.gz PWSPCFRIXJZEKQ-UHFFFAOYSA-N 1 2 316.283 3.176 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000748819202 575609629 /nfs/dbraw/zinc/60/96/29/575609629.db2.gz ABFFUALGCTYKDQ-UHFFFAOYSA-N 1 2 322.368 3.379 20 5 DGBDLO CC/C=C/CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000918510123 620711819 /nfs/dbraw/zinc/71/18/19/620711819.db2.gz ZYBIGUXNUHQECY-ONEGZZNKSA-N 1 2 315.329 3.294 20 5 DGBDLO COc1c(O)ccc(C[N@H+](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000891470603 617810996 /nfs/dbraw/zinc/81/09/96/617810996.db2.gz PDNACAUNOJPBLM-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO COc1c(O)ccc(C[N@@H+](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000891470603 617811003 /nfs/dbraw/zinc/81/10/03/617811003.db2.gz PDNACAUNOJPBLM-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO CCc1noc(C)c1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894614263 618402757 /nfs/dbraw/zinc/40/27/57/618402757.db2.gz KTMSLEMTVZKCEJ-UHFFFAOYSA-N 1 2 309.753 3.397 20 5 DGBDLO Cc1n[nH]c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC000893945911 618681503 /nfs/dbraw/zinc/68/15/03/618681503.db2.gz LWOHECBJFNOZJN-UHFFFAOYSA-N 1 2 300.362 3.099 20 5 DGBDLO Cc1n[nH]c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC000893945911 618681505 /nfs/dbraw/zinc/68/15/05/618681505.db2.gz LWOHECBJFNOZJN-UHFFFAOYSA-N 1 2 300.362 3.099 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](c1ncccn1)C1CC1 ZINC000903322052 619756009 /nfs/dbraw/zinc/75/60/09/619756009.db2.gz GGBJZUDQIYHUKB-HOCLYGCPSA-N 1 2 310.357 3.113 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000903333870 619759007 /nfs/dbraw/zinc/75/90/07/619759007.db2.gz URIMSSJWVHRWJC-BLLLJJGKSA-N 1 2 312.373 3.495 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000903333927 619759057 /nfs/dbraw/zinc/75/90/57/619759057.db2.gz VIRFKGGYJJPEDM-LRDDRELGSA-N 1 2 312.373 3.495 20 5 DGBDLO CCc1onc(C)c1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922983174 621141967 /nfs/dbraw/zinc/14/19/67/621141967.db2.gz KHJBPDYJZDFYJX-UHFFFAOYSA-N 1 2 309.753 3.397 20 5 DGBDLO CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000754414524 621509571 /nfs/dbraw/zinc/50/95/71/621509571.db2.gz ICTUTRFCXXJESH-FLIBITNWSA-N 1 2 311.341 3.071 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCc2[nH+]c[nH]c2C1 ZINC000865818737 622001104 /nfs/dbraw/zinc/00/11/04/622001104.db2.gz ZINRNUXDTWWGDM-UHFFFAOYSA-N 1 2 313.144 3.187 20 5 DGBDLO CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000763420762 622144879 /nfs/dbraw/zinc/14/48/79/622144879.db2.gz WNMBIWVHHTVKOP-UHFFFAOYSA-N 1 2 304.321 3.464 20 5 DGBDLO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045952 622772945 /nfs/dbraw/zinc/77/29/45/622772945.db2.gz TWSVRFFFORKDJZ-HZMBPMFUSA-N 1 2 322.311 3.257 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000872080228 622793711 /nfs/dbraw/zinc/79/37/11/622793711.db2.gz UNNBGTLLGVYWNK-GHMZBOCLSA-N 1 2 320.418 3.462 20 5 DGBDLO CO[C@H](C)c1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000873075162 623030868 /nfs/dbraw/zinc/03/08/68/623030868.db2.gz RVSJLMVJEPADLL-LLVKDONJSA-N 1 2 321.402 3.357 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000774814924 623195692 /nfs/dbraw/zinc/19/56/92/623195692.db2.gz OFBQFCBHWJBOIO-HNNXBMFYSA-N 1 2 313.313 3.450 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000774814924 623195695 /nfs/dbraw/zinc/19/56/95/623195695.db2.gz OFBQFCBHWJBOIO-HNNXBMFYSA-N 1 2 313.313 3.450 20 5 DGBDLO CN(C)c1cc(COc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000782111717 624205697 /nfs/dbraw/zinc/20/56/97/624205697.db2.gz SOLBTGODZADPDE-UHFFFAOYSA-N 1 2 307.737 3.288 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1(c2ncccn2)CCC1 ZINC000883313306 626642968 /nfs/dbraw/zinc/64/29/68/626642968.db2.gz ALNICPOXTYICSM-CYBMUJFWSA-N 1 2 312.373 3.423 20 5 DGBDLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000840150295 626871265 /nfs/dbraw/zinc/87/12/65/626871265.db2.gz SWNXMMRLACHYSR-CQSZACIVSA-N 1 2 304.325 3.033 20 5 DGBDLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000840150295 626871268 /nfs/dbraw/zinc/87/12/68/626871268.db2.gz SWNXMMRLACHYSR-CQSZACIVSA-N 1 2 304.325 3.033 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1Cl ZINC000809784780 626952665 /nfs/dbraw/zinc/95/26/65/626952665.db2.gz NCSZNCYFHNNIOQ-UHFFFAOYSA-N 1 2 321.764 3.405 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000885960455 627070778 /nfs/dbraw/zinc/07/07/78/627070778.db2.gz LJMFDNAZNSPWLW-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000885960455 627070782 /nfs/dbraw/zinc/07/07/82/627070782.db2.gz LJMFDNAZNSPWLW-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000886072561 627098654 /nfs/dbraw/zinc/09/86/54/627098654.db2.gz JMCKLVNBGXLTHX-UHFFFAOYSA-N 1 2 304.375 3.005 20 5 DGBDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886190133 627119595 /nfs/dbraw/zinc/11/95/95/627119595.db2.gz BSQRZRVQERQDLK-QGZVFWFLSA-N 1 2 315.348 3.369 20 5 DGBDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886190133 627119598 /nfs/dbraw/zinc/11/95/98/627119598.db2.gz BSQRZRVQERQDLK-QGZVFWFLSA-N 1 2 315.348 3.369 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000886551125 627161605 /nfs/dbraw/zinc/16/16/05/627161605.db2.gz BMUBQVKNKOOUOZ-CQSZACIVSA-N 1 2 303.749 3.420 20 5 DGBDLO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000925496664 627579877 /nfs/dbraw/zinc/57/98/77/627579877.db2.gz RTYYWCHSHOONDX-NEPJUHHUSA-N 1 2 317.393 3.235 20 5 DGBDLO Cc1cc(Cl)c(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000815406543 627671006 /nfs/dbraw/zinc/67/10/06/627671006.db2.gz MCUDKASXKBCBQG-UHFFFAOYSA-N 1 2 323.736 3.000 20 5 DGBDLO O=[N+]([O-])c1ccc(COc2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000820706465 628290226 /nfs/dbraw/zinc/29/02/26/628290226.db2.gz NZGZSIQLBHUICO-UHFFFAOYSA-N 1 2 313.288 3.499 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC23CCCCC3)cc1F ZINC000832180107 629448727 /nfs/dbraw/zinc/44/87/27/629448727.db2.gz OANGODKGEYKUED-UHFFFAOYSA-N 1 2 308.353 3.269 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC23CCCCC3)cc1F ZINC000832180107 629448731 /nfs/dbraw/zinc/44/87/31/629448731.db2.gz OANGODKGEYKUED-UHFFFAOYSA-N 1 2 308.353 3.269 20 5 DGBDLO C[C@H](CC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845282920 631160632 /nfs/dbraw/zinc/16/06/32/631160632.db2.gz RHLDRIYDQPLYGL-SNVBAGLBSA-N 1 2 323.736 3.139 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284791 631160716 /nfs/dbraw/zinc/16/07/16/631160716.db2.gz NTVRKRZQKBCTQR-OLZOCXBDSA-N 1 2 317.345 3.355 20 5 DGBDLO C[C@H](CC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845283689 631160762 /nfs/dbraw/zinc/16/07/62/631160762.db2.gz YQTKXEDDSABBGZ-SNVBAGLBSA-N 1 2 323.736 3.139 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000845483971 631177931 /nfs/dbraw/zinc/17/79/31/631177931.db2.gz PSPLAWWNMCRUFR-SNVBAGLBSA-N 1 2 324.743 3.425 20 5 DGBDLO COCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051375667 655759163 /nfs/dbraw/zinc/75/91/63/655759163.db2.gz ZRZFRKXBHSFBMY-UHFFFAOYSA-N 1 2 318.348 3.383 20 5 DGBDLO COCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051375667 655759165 /nfs/dbraw/zinc/75/91/65/655759165.db2.gz ZRZFRKXBHSFBMY-UHFFFAOYSA-N 1 2 318.348 3.383 20 5 DGBDLO Cc1noc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c1[N+](=O)[O-] ZINC000934285988 655763465 /nfs/dbraw/zinc/76/34/65/655763465.db2.gz CERQPLNQIIEFTD-OAHLLOKOSA-N 1 2 318.377 3.472 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](c3ccccn3)C3CC3)nc2c1 ZINC000932376198 661563340 /nfs/dbraw/zinc/56/33/40/661563340.db2.gz AEFSKAVVPXOFFY-QGZVFWFLSA-N 1 2 324.340 3.372 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932381275 661564408 /nfs/dbraw/zinc/56/44/08/661564408.db2.gz MDGTWQXGHHFLPJ-INIZCTEOSA-N 1 2 301.321 3.370 20 5 DGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H]1C ZINC000245459680 662233621 /nfs/dbraw/zinc/23/36/21/662233621.db2.gz VLYWWKZVZYQALW-VHSXEESVSA-N 1 2 311.769 3.060 20 5 DGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H]1C ZINC000245459680 662233622 /nfs/dbraw/zinc/23/36/22/662233622.db2.gz VLYWWKZVZYQALW-VHSXEESVSA-N 1 2 311.769 3.060 20 5 DGBDLO CC(C)([NH2+]Cc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC001333649879 1178646211 /nfs/dbraw/zinc/64/62/11/1178646211.db2.gz BQVKJAWKPWYZON-UHFFFAOYSA-N 1 2 318.402 3.349 20 5 DGBDLO C[C@H](c1ccccc1)[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC001459786213 1182615056 /nfs/dbraw/zinc/61/50/56/1182615056.db2.gz VXMUEXTXFTWZBM-CYBMUJFWSA-N 1 2 318.348 3.289 20 5 DGBDLO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC001459786213 1182615059 /nfs/dbraw/zinc/61/50/59/1182615059.db2.gz VXMUEXTXFTWZBM-CYBMUJFWSA-N 1 2 318.348 3.289 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1Cl ZINC001459801149 1182617722 /nfs/dbraw/zinc/61/77/22/1182617722.db2.gz VYXSWGMVWCSFCP-VHSXEESVSA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1Cl ZINC001459801149 1182617725 /nfs/dbraw/zinc/61/77/25/1182617725.db2.gz VYXSWGMVWCSFCP-VHSXEESVSA-N 1 2 302.708 3.335 20 5 DGBDLO C[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccccc1[N+](=O)[O-] ZINC001474256197 1183890561 /nfs/dbraw/zinc/89/05/61/1183890561.db2.gz HORVQYBYTAINAH-NSHDSACASA-N 1 2 314.320 3.232 20 5 DGBDLO O=C(OCc1ccccc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001524681218 1187259825 /nfs/dbraw/zinc/25/98/25/1187259825.db2.gz FEFSMGXPXTYQGH-UHFFFAOYSA-N 1 2 323.308 3.138 20 5 DGBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(C)[nH+]1 ZINC001536665615 1188022924 /nfs/dbraw/zinc/02/29/24/1188022924.db2.gz HPRAETHGAGGOQV-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO O=[N+]([O-])c1c(NCCNc2cccc[nH+]2)ccc2cnccc21 ZINC001559055000 1189166106 /nfs/dbraw/zinc/16/61/06/1189166106.db2.gz SLSLYIBNTWUJAB-UHFFFAOYSA-N 1 2 309.329 3.062 20 5 DGBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001620554758 1193778849 /nfs/dbraw/zinc/77/88/49/1193778849.db2.gz YKIQNUOFSMNGDY-VIFPVBQESA-N 1 2 307.331 3.415 20 5 DGBDLO COc1ccccc1Cc1cn(Cc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC001641480846 1194856372 /nfs/dbraw/zinc/85/63/72/1194856372.db2.gz AKHONLLHCKMKFI-UHFFFAOYSA-N 1 2 323.352 3.439 20 5 DGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCF)C2)c(Cl)c1 ZINC001642866462 1194949258 /nfs/dbraw/zinc/94/92/58/1194949258.db2.gz UZHSDADKQIQFIS-JTQLQIEISA-N 1 2 301.749 3.094 20 5 DGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCF)C2)c(Cl)c1 ZINC001642866462 1194949259 /nfs/dbraw/zinc/94/92/59/1194949259.db2.gz UZHSDADKQIQFIS-JTQLQIEISA-N 1 2 301.749 3.094 20 5 DGBDLO Cc1c[nH+]c(CCNc2ncnc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC001651192844 1195424880 /nfs/dbraw/zinc/42/48/80/1195424880.db2.gz OTPOVZJHFUXZFZ-UHFFFAOYSA-N 1 2 323.356 3.204 20 5 DGBDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1O ZINC001653981493 1195764815 /nfs/dbraw/zinc/76/48/15/1195764815.db2.gz XFSOYWQGDHWLMS-PELKAZGASA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1O ZINC001653981493 1195764818 /nfs/dbraw/zinc/76/48/18/1195764818.db2.gz XFSOYWQGDHWLMS-PELKAZGASA-N 1 2 319.188 3.104 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001655601810 1195938133 /nfs/dbraw/zinc/93/81/33/1195938133.db2.gz IBFFHFCSDLTCPZ-GFCCVEGCSA-N 1 2 320.336 3.383 20 5 DGBDLO Cc1ccc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001655601810 1195938141 /nfs/dbraw/zinc/93/81/41/1195938141.db2.gz IBFFHFCSDLTCPZ-GFCCVEGCSA-N 1 2 320.336 3.383 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncc(C)s1 ZINC001655650360 1195945244 /nfs/dbraw/zinc/94/52/44/1195945244.db2.gz IXPKEPCQJPOGDT-UHFFFAOYSA-N 1 2 307.375 3.048 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(N(C)C)c[nH+]1 ZINC001656793477 1196071787 /nfs/dbraw/zinc/07/17/87/1196071787.db2.gz XVWMOUWHJPHEGU-UHFFFAOYSA-N 1 2 300.362 3.285 20 5 DGBDLO Cc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC001657772245 1196177244 /nfs/dbraw/zinc/17/72/44/1196177244.db2.gz BZFWEDRFVMVWTA-CYBMUJFWSA-N 1 2 320.295 3.405 20 5 DGBDLO O=[N+]([O-])c1cccc2nc(N3CCC(n4cc[nH+]c4)CC3)ccc21 ZINC001167125946 1081732880 /nfs/dbraw/zinc/73/28/80/1081732880.db2.gz KLLCLYWRFDPEIK-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1 ZINC001181022483 1083386684 /nfs/dbraw/zinc/38/66/84/1083386684.db2.gz VHEGJCCLGYYJMB-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1[N+](=O)[O-] ZINC001183345876 1083933446 /nfs/dbraw/zinc/93/34/46/1083933446.db2.gz QYHUEZMXFSOPKY-UHFFFAOYSA-N 1 2 308.284 3.177 20 5 DGBDLO C[N@@H+]1CCC[C@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001228198532 1086843915 /nfs/dbraw/zinc/84/39/15/1086843915.db2.gz LHNGRILMLGERBT-VIFPVBQESA-N 1 2 305.161 3.375 20 5 DGBDLO C[N@H+]1CCC[C@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001228198532 1086843925 /nfs/dbraw/zinc/84/39/25/1086843925.db2.gz LHNGRILMLGERBT-VIFPVBQESA-N 1 2 305.161 3.375 20 5 DGBDLO Cc1cc(Cl)nc(NCc2c[nH+]cn2C(C)C)c1[N+](=O)[O-] ZINC001161563106 1089289057 /nfs/dbraw/zinc/28/90/57/1089289057.db2.gz NMKIHLZDYKSEID-UHFFFAOYSA-N 1 2 309.757 3.341 20 5 DGBDLO COc1cc[nH+]c(C(C)(C)CNc2ncc([N+](=O)[O-])cc2C)c1 ZINC001162128881 1089561947 /nfs/dbraw/zinc/56/19/47/1089561947.db2.gz WIKWRGWESYABHQ-UHFFFAOYSA-N 1 2 316.361 3.092 20 5 DGBDLO Cc1cc(Cl)c([N+](=O)[O-])c(NCc2ccc3[nH+]ccn3c2)n1 ZINC001163136851 1090088131 /nfs/dbraw/zinc/08/81/31/1090088131.db2.gz RQFDBPRPXWGHFL-UHFFFAOYSA-N 1 2 317.736 3.211 20 5 DGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc2[nH+]ccn2c1 ZINC001163139553 1090089043 /nfs/dbraw/zinc/08/90/43/1090089043.db2.gz PZSAFXJXCPAUJG-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO Cc1nc(NCCn2c[nH+]cc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC001163830955 1090266745 /nfs/dbraw/zinc/26/67/45/1090266745.db2.gz GBHYBEOHPCREAH-UHFFFAOYSA-N 1 2 323.356 3.274 20 5 DGBDLO O=[N+]([O-])c1cnc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC001163990078 1090308686 /nfs/dbraw/zinc/30/86/86/1090308686.db2.gz MMCPGIDOLOGQMY-GFCCVEGCSA-N 1 2 315.358 3.101 20 5 DGBDLO CCNc1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC001164394886 1090419774 /nfs/dbraw/zinc/41/97/74/1090419774.db2.gz VCBSGGLZRDFGMS-UHFFFAOYSA-N 1 2 300.318 3.368 20 5 DGBDLO O=C1O[C@H]2C[C@@H]1[N@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC001141728262 1092323411 /nfs/dbraw/zinc/32/34/11/1092323411.db2.gz OLBJWTRHZHFKHR-KXBFYZLASA-N 1 2 303.361 3.493 20 5 DGBDLO O=C1O[C@H]2C[C@@H]1[N@@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC001141728262 1092323423 /nfs/dbraw/zinc/32/34/23/1092323423.db2.gz OLBJWTRHZHFKHR-KXBFYZLASA-N 1 2 303.361 3.493 20 5 DGBDLO O=[N+]([O-])c1ccc(CO[C@@H]2C[NH2+]CC(F)(F)C2)c2ccccc21 ZINC001217857275 1094504736 /nfs/dbraw/zinc/50/47/36/1094504736.db2.gz VFKZFPWCWJXUBI-LBPRGKRZSA-N 1 2 322.311 3.262 20 5 DGBDLO FC1(F)C[NH2+]C[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218230592 1094668158 /nfs/dbraw/zinc/66/81/58/1094668158.db2.gz BFCGQACGNONPFK-HNNXBMFYSA-N 1 2 300.308 3.374 20 5 DGBDLO COCc1csc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001118635262 1096049489 /nfs/dbraw/zinc/04/94/89/1096049489.db2.gz XIBVGKJUKVMHGF-UHFFFAOYSA-N 1 2 318.398 3.361 20 5 DGBDLO COCc1csc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001118635262 1096049499 /nfs/dbraw/zinc/04/94/99/1096049499.db2.gz XIBVGKJUKVMHGF-UHFFFAOYSA-N 1 2 318.398 3.361 20 5 DGBDLO CCOc1cc(C[N@@H+]2C[C@@H](CC)OC[C@H]2CC)ccc1[N+](=O)[O-] ZINC001171777710 1096970199 /nfs/dbraw/zinc/97/01/99/1096970199.db2.gz DCSCANQBNRIUGC-HUUCEWRRSA-N 1 2 322.405 3.383 20 5 DGBDLO CCOc1cc(C[N@H+]2C[C@@H](CC)OC[C@H]2CC)ccc1[N+](=O)[O-] ZINC001171777710 1096970205 /nfs/dbraw/zinc/97/02/05/1096970205.db2.gz DCSCANQBNRIUGC-HUUCEWRRSA-N 1 2 322.405 3.383 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC001228197751 1097071906 /nfs/dbraw/zinc/07/19/06/1097071906.db2.gz BSLRXNHGTMVWOA-GFCCVEGCSA-N 1 2 317.172 3.375 20 5 DGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001173220592 1097372016 /nfs/dbraw/zinc/37/20/16/1097372016.db2.gz BCDVVKNAUKLWMT-GWCFXTLKSA-N 1 2 302.296 3.205 20 5 DGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001173220592 1097372023 /nfs/dbraw/zinc/37/20/23/1097372023.db2.gz BCDVVKNAUKLWMT-GWCFXTLKSA-N 1 2 302.296 3.205 20 5 DGBDLO CCCn1cncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001179913702 1099257960 /nfs/dbraw/zinc/25/79/60/1099257960.db2.gz FHESUVCSQWDUJJ-UHFFFAOYSA-N 1 2 314.389 3.366 20 5 DGBDLO CCCn1cncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001179913702 1099257966 /nfs/dbraw/zinc/25/79/66/1099257966.db2.gz FHESUVCSQWDUJJ-UHFFFAOYSA-N 1 2 314.389 3.366 20 5 DGBDLO CCOC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](C)CC ZINC001254539971 1106099165 /nfs/dbraw/zinc/09/91/65/1106099165.db2.gz NPJQWEBHTZXRMG-XEZPLFJOSA-N 1 2 322.405 3.093 20 5 DGBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(Oc2ccccc2)C1 ZINC001254562851 1106104012 /nfs/dbraw/zinc/10/40/12/1106104012.db2.gz PSJXOXGTJLCKAR-AWEZNQCLSA-N 1 2 312.369 3.289 20 5 DGBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001254564745 1106105234 /nfs/dbraw/zinc/10/52/34/1106105234.db2.gz MTPRINRAZJJKDZ-STQMWFEESA-N 1 2 322.405 3.188 20 5 DGBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001254564745 1106105237 /nfs/dbraw/zinc/10/52/37/1106105237.db2.gz MTPRINRAZJJKDZ-STQMWFEESA-N 1 2 322.405 3.188 20 5 DGBDLO CN(C)c1cc(CSCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001323986982 1108137793 /nfs/dbraw/zinc/13/77/93/1108137793.db2.gz UJJQJCXGGNCJNO-UHFFFAOYSA-N 1 2 303.387 3.489 20 5 DGBDLO Nc1ccc(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c[nH+]1 ZINC001307097013 1110276753 /nfs/dbraw/zinc/27/67/53/1110276753.db2.gz MNXKRSCCAKYRNY-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO Cn1cc(C[N@@H+]2CCC=C(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272837578 210234658 /nfs/dbraw/zinc/23/46/58/210234658.db2.gz QSTAHLJMTKLOSE-UHFFFAOYSA-N 1 2 316.336 3.054 20 5 DGBDLO Cn1cc(C[N@H+]2CCC=C(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272837578 210234661 /nfs/dbraw/zinc/23/46/61/210234661.db2.gz QSTAHLJMTKLOSE-UHFFFAOYSA-N 1 2 316.336 3.054 20 5 DGBDLO CN(C)c1cccc(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000159771571 282297622 /nfs/dbraw/zinc/29/76/22/282297622.db2.gz GVNSHICGJBKLQF-UHFFFAOYSA-N 1 2 317.364 3.432 20 5 DGBDLO CN(C)c1cccc(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000159771571 282297623 /nfs/dbraw/zinc/29/76/23/282297623.db2.gz GVNSHICGJBKLQF-UHFFFAOYSA-N 1 2 317.364 3.432 20 5 DGBDLO CN(C[C@@H]1CCCC[C@@H]1O)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413245368 529947322 /nfs/dbraw/zinc/94/73/22/529947322.db2.gz XSDVFIIFPZHPPW-BBRMVZONSA-N 1 2 315.373 3.130 20 5 DGBDLO CN(C[C@@H]1CCCCO1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413067245 529945823 /nfs/dbraw/zinc/94/58/23/529945823.db2.gz GPWSIBSZCRSQHN-AWEZNQCLSA-N 1 2 301.346 3.148 20 5 DGBDLO CN(C[C@@H]1CCCOC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413139585 529951686 /nfs/dbraw/zinc/95/16/86/529951686.db2.gz QXXMQQSVTCNWCY-LBPRGKRZSA-N 1 2 301.346 3.006 20 5 DGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H]1C ZINC000072875577 191247439 /nfs/dbraw/zinc/24/74/39/191247439.db2.gz GLTVKRDTBHMREL-UWVGGRQHSA-N 1 2 311.769 3.060 20 5 DGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H]1C ZINC000072875577 191247442 /nfs/dbraw/zinc/24/74/42/191247442.db2.gz GLTVKRDTBHMREL-UWVGGRQHSA-N 1 2 311.769 3.060 20 5 DGBDLO Cc1ccc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c[nH+]1 ZINC000331894937 234246930 /nfs/dbraw/zinc/24/69/30/234246930.db2.gz HBOPYZXZGSSUQB-KBPBESRZSA-N 1 2 301.350 3.091 20 5 DGBDLO CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000173503732 198221458 /nfs/dbraw/zinc/22/14/58/198221458.db2.gz NZUFMWLQMFALIV-OAHLLOKOSA-N 1 2 321.402 3.475 20 5 DGBDLO COc1cc(C(=O)Nc2ccc(C)[nH+]c2C)cc([N+](=O)[O-])c1C ZINC000189233165 200367891 /nfs/dbraw/zinc/36/78/91/200367891.db2.gz OEZIZVXBTONWDO-UHFFFAOYSA-N 1 2 315.329 3.176 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccccc1F ZINC000430216766 238071503 /nfs/dbraw/zinc/07/15/03/238071503.db2.gz HQNVOWOTTLDGGW-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccc1F ZINC000430216766 238071504 /nfs/dbraw/zinc/07/15/04/238071504.db2.gz HQNVOWOTTLDGGW-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO Cc1c(C[N@@H+]2CCOc3c(F)cccc3C2)cccc1[N+](=O)[O-] ZINC000434625596 238220954 /nfs/dbraw/zinc/22/09/54/238220954.db2.gz VJVWBKKLLJAIJC-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1c(C[N@H+]2CCOc3c(F)cccc3C2)cccc1[N+](=O)[O-] ZINC000434625596 238220957 /nfs/dbraw/zinc/22/09/57/238220957.db2.gz VJVWBKKLLJAIJC-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc(F)c1 ZINC000171037770 432096596 /nfs/dbraw/zinc/09/65/96/432096596.db2.gz CDLYXTRXZHUQCE-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000171037770 432096601 /nfs/dbraw/zinc/09/66/01/432096601.db2.gz CDLYXTRXZHUQCE-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COCc1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000449351159 240148726 /nfs/dbraw/zinc/14/87/26/240148726.db2.gz YQUHXKLDRJPORS-JTQLQIEISA-N 1 2 307.375 3.049 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CC4(CC4)C3)cs2)c1 ZINC000449371019 240161539 /nfs/dbraw/zinc/16/15/39/240161539.db2.gz PMCSMDJVXQXHDL-UHFFFAOYSA-N 1 2 301.371 3.314 20 5 DGBDLO CCn1cc([C@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000451888468 241267355 /nfs/dbraw/zinc/26/73/55/241267355.db2.gz JGRDGGUYWFHUHC-JTQLQIEISA-N 1 2 308.769 3.315 20 5 DGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000454150783 241870318 /nfs/dbraw/zinc/87/03/18/241870318.db2.gz RLWVNQWWCFCIRQ-LLVKDONJSA-N 1 2 317.349 3.002 20 5 DGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000282108414 216749680 /nfs/dbraw/zinc/74/96/80/216749680.db2.gz YPJDKRHIOVOEGX-AWEZNQCLSA-N 1 2 315.377 3.246 20 5 DGBDLO CCOC(=O)C[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470182966 244154523 /nfs/dbraw/zinc/15/45/23/244154523.db2.gz KZCUYRRLSWWPPV-LCYFTJDESA-N 1 2 318.373 3.026 20 5 DGBDLO CCOC(=O)C[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470182966 244154532 /nfs/dbraw/zinc/15/45/32/244154532.db2.gz KZCUYRRLSWWPPV-LCYFTJDESA-N 1 2 318.373 3.026 20 5 DGBDLO O=[N+]([O-])c1ccccc1CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000127818116 284353029 /nfs/dbraw/zinc/35/30/29/284353029.db2.gz IFNWRSIGRQIONO-INIZCTEOSA-N 1 2 308.341 3.197 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000288365786 220110433 /nfs/dbraw/zinc/11/04/33/220110433.db2.gz DORXUFCBRHYXDX-UHFFFAOYSA-N 1 2 321.764 3.405 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccs3)CC2)cc1F ZINC000282981507 217367179 /nfs/dbraw/zinc/36/71/79/217367179.db2.gz DLXDPLMDUFYELI-UHFFFAOYSA-N 1 2 321.377 3.118 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCc3ncsc3C2)ccc1[N+](=O)[O-] ZINC000493557470 246008912 /nfs/dbraw/zinc/00/89/12/246008912.db2.gz ZZNNISJYQHGNTD-UHFFFAOYSA-N 1 2 319.386 3.008 20 5 DGBDLO CCOc1cc(C[N@H+]2CCc3ncsc3C2)ccc1[N+](=O)[O-] ZINC000493557470 246008917 /nfs/dbraw/zinc/00/89/17/246008917.db2.gz ZZNNISJYQHGNTD-UHFFFAOYSA-N 1 2 319.386 3.008 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](CCO)c1ccco1 ZINC000494639023 246173937 /nfs/dbraw/zinc/17/39/37/246173937.db2.gz TZUNKRAEBDIMFE-LBPRGKRZSA-N 1 2 310.737 3.055 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000495069694 246230215 /nfs/dbraw/zinc/23/02/15/246230215.db2.gz MXOVKFZNPGQFGB-HNNXBMFYSA-N 1 2 315.377 3.124 20 5 DGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(COCc2[nH]cc[nH+]2)c1 ZINC000338557920 253310656 /nfs/dbraw/zinc/31/06/56/253310656.db2.gz QVYWYFGOUIWMJW-UHFFFAOYSA-N 1 2 301.224 3.054 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCCCCNc2cccc[nH+]2)c1 ZINC000338663677 253328948 /nfs/dbraw/zinc/32/89/48/253328948.db2.gz RZWPXXVBVHKNJP-UHFFFAOYSA-N 1 2 316.361 3.303 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000338670247 253330399 /nfs/dbraw/zinc/33/03/99/253330399.db2.gz ADFWGEVGYMMIET-UHFFFAOYSA-N 1 2 324.340 3.401 20 5 DGBDLO COCC[N@H+](Cc1cccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338887478 253363872 /nfs/dbraw/zinc/36/38/72/253363872.db2.gz MAYYJRWFBNGVLB-UHFFFAOYSA-N 1 2 322.386 3.011 20 5 DGBDLO COCC[N@@H+](Cc1cccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338887478 253363874 /nfs/dbraw/zinc/36/38/74/253363874.db2.gz MAYYJRWFBNGVLB-UHFFFAOYSA-N 1 2 322.386 3.011 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)c2ncccc12 ZINC000264800910 285121443 /nfs/dbraw/zinc/12/14/43/285121443.db2.gz CKUMIVLGDMRLTM-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)c(F)c1 ZINC000339523097 253482311 /nfs/dbraw/zinc/48/23/11/253482311.db2.gz FLRKOELUDQZCGA-UHFFFAOYSA-N 1 2 314.238 3.441 20 5 DGBDLO CCOc1cc(N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000343283405 254123502 /nfs/dbraw/zinc/12/35/02/254123502.db2.gz JRCVJVZISZSGMO-OAHLLOKOSA-N 1 2 316.361 3.290 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCOCC2)s1 ZINC000154492667 196969522 /nfs/dbraw/zinc/96/95/22/196969522.db2.gz BDPIJUACSIHINU-UHFFFAOYSA-N 1 2 304.371 3.156 20 5 DGBDLO CCC[C@@H]([NH2+][C@H](C)c1nnc(CC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000271559700 209011999 /nfs/dbraw/zinc/01/19/99/209011999.db2.gz UDGMLQDAIIRAHB-BXUZGUMPSA-N 1 2 317.393 3.467 20 5 DGBDLO CCc1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000289589757 221089554 /nfs/dbraw/zinc/08/95/54/221089554.db2.gz AXPKPPUZQXOYGN-SNVBAGLBSA-N 1 2 306.391 3.168 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1[C@H]1CCCO1 ZINC000289786079 221225357 /nfs/dbraw/zinc/22/53/57/221225357.db2.gz MYONPXGHYNXPJZ-CABCVRRESA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1[C@H]1CCCO1 ZINC000289786079 221225359 /nfs/dbraw/zinc/22/53/59/221225359.db2.gz MYONPXGHYNXPJZ-CABCVRRESA-N 1 2 308.353 3.123 20 5 DGBDLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052928 400091742 /nfs/dbraw/zinc/09/17/42/400091742.db2.gz TVHSJWBQQUJQME-NWDGAFQWSA-N 1 2 318.377 3.232 20 5 DGBDLO C[N@H+](Cc1ccsc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006999707 400096395 /nfs/dbraw/zinc/09/63/95/400096395.db2.gz JFLGZSYXUSCVDK-UHFFFAOYSA-N 1 2 302.359 3.165 20 5 DGBDLO C[N@@H+](Cc1ccsc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006999707 400096400 /nfs/dbraw/zinc/09/64/00/400096400.db2.gz JFLGZSYXUSCVDK-UHFFFAOYSA-N 1 2 302.359 3.165 20 5 DGBDLO CC(C)(C)Oc1cc(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000091424940 400118053 /nfs/dbraw/zinc/11/80/53/400118053.db2.gz BHKCETXGIRAPNC-UHFFFAOYSA-N 1 2 318.377 3.471 20 5 DGBDLO CCc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)on1 ZINC000595025215 400080584 /nfs/dbraw/zinc/08/05/84/400080584.db2.gz JQMBUHUAORNAPH-JTQLQIEISA-N 1 2 305.334 3.005 20 5 DGBDLO CC(C)(C)OC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092454030 400174221 /nfs/dbraw/zinc/17/42/21/400174221.db2.gz NVHUTTKHDYKVEG-UHFFFAOYSA-N 1 2 308.378 3.080 20 5 DGBDLO Cc1noc(C[NH2+]C2(c3cccc(F)c3)CCC2)c1[N+](=O)[O-] ZINC000595562020 400189028 /nfs/dbraw/zinc/18/90/28/400189028.db2.gz IFLGZLMYRDMLRY-UHFFFAOYSA-N 1 2 305.309 3.199 20 5 DGBDLO Cc1csc(C2([NH2+]Cc3onc(C)c3[N+](=O)[O-])CCCC2)n1 ZINC000595383535 400138254 /nfs/dbraw/zinc/13/82/54/400138254.db2.gz XUQGRTOITYVMHM-UHFFFAOYSA-N 1 2 322.390 3.215 20 5 DGBDLO Cc1noc(C[N@H+]2CC=C(c3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000595406944 400141696 /nfs/dbraw/zinc/14/16/96/400141696.db2.gz DOJBMEZYASKKIQ-UHFFFAOYSA-N 1 2 313.357 3.489 20 5 DGBDLO Cc1noc(C[N@@H+]2CC=C(c3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000595406944 400141698 /nfs/dbraw/zinc/14/16/98/400141698.db2.gz DOJBMEZYASKKIQ-UHFFFAOYSA-N 1 2 313.357 3.489 20 5 DGBDLO CC(=O)c1ccc(NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000015130656 400160449 /nfs/dbraw/zinc/16/04/49/400160449.db2.gz RTXMDTJIMKEQDJ-UHFFFAOYSA-N 1 2 310.313 3.057 20 5 DGBDLO COc1cc(C[NH2+][C@@H](C)c2cscn2)c([N+](=O)[O-])cc1F ZINC000595669758 400222713 /nfs/dbraw/zinc/22/27/13/400222713.db2.gz ZQWKCSVIWZFXFV-QMMMGPOBSA-N 1 2 311.338 3.050 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2ncccc12 ZINC000610276249 400231982 /nfs/dbraw/zinc/23/19/82/400231982.db2.gz FXJXMUQTGONYSH-CYBMUJFWSA-N 1 2 323.356 3.181 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702738 400234283 /nfs/dbraw/zinc/23/42/83/400234283.db2.gz JNHQBFQDUXRQAF-OAHLLOKOSA-N 1 2 302.305 3.387 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702738 400234285 /nfs/dbraw/zinc/23/42/85/400234285.db2.gz JNHQBFQDUXRQAF-OAHLLOKOSA-N 1 2 302.305 3.387 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)c2ncccc12 ZINC000024059140 400215864 /nfs/dbraw/zinc/21/58/64/400215864.db2.gz UVBFFCFZRPPGDF-UHFFFAOYSA-N 1 2 309.329 3.062 20 5 DGBDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610943600 400326158 /nfs/dbraw/zinc/32/61/58/400326158.db2.gz AUMDZKNMYBGYRU-GFCCVEGCSA-N 1 2 317.345 3.037 20 5 DGBDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610943600 400326161 /nfs/dbraw/zinc/32/61/61/400326161.db2.gz AUMDZKNMYBGYRU-GFCCVEGCSA-N 1 2 317.345 3.037 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595916832 400295366 /nfs/dbraw/zinc/29/53/66/400295366.db2.gz LUUQQVDYSFVXAN-ZETOZRRWSA-N 1 2 314.332 3.400 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595916832 400295367 /nfs/dbraw/zinc/29/53/67/400295367.db2.gz LUUQQVDYSFVXAN-ZETOZRRWSA-N 1 2 314.332 3.400 20 5 DGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+](CC(F)F)C2CC2)cc1 ZINC000106870939 400330865 /nfs/dbraw/zinc/33/08/65/400330865.db2.gz QFFPGWXASIPJAY-UHFFFAOYSA-N 1 2 300.305 3.093 20 5 DGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+](CC(F)F)C2CC2)cc1 ZINC000106870939 400330868 /nfs/dbraw/zinc/33/08/68/400330868.db2.gz QFFPGWXASIPJAY-UHFFFAOYSA-N 1 2 300.305 3.093 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596357942 400391053 /nfs/dbraw/zinc/39/10/53/400391053.db2.gz WASATWGKFMGMHP-UHFFFAOYSA-N 1 2 316.336 3.341 20 5 DGBDLO Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])s1 ZINC000596214477 400351471 /nfs/dbraw/zinc/35/14/71/400351471.db2.gz IFXMAQVLEQFQDQ-GFCCVEGCSA-N 1 2 305.359 3.017 20 5 DGBDLO COc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000611209210 400359348 /nfs/dbraw/zinc/35/93/48/400359348.db2.gz FSFBURSLWHVOFK-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000611209210 400359356 /nfs/dbraw/zinc/35/93/56/400359356.db2.gz FSFBURSLWHVOFK-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO C[C@H]1COCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590167024 400365193 /nfs/dbraw/zinc/36/51/93/400365193.db2.gz RSIRLSWEZNGKKI-JTQLQIEISA-N 1 2 318.295 3.224 20 5 DGBDLO C[C@H]1COCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590167024 400365197 /nfs/dbraw/zinc/36/51/97/400365197.db2.gz RSIRLSWEZNGKKI-JTQLQIEISA-N 1 2 318.295 3.224 20 5 DGBDLO C[C@@H]1COCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590167025 400365214 /nfs/dbraw/zinc/36/52/14/400365214.db2.gz RSIRLSWEZNGKKI-SNVBAGLBSA-N 1 2 318.295 3.224 20 5 DGBDLO C[C@@H]1COCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590167025 400365217 /nfs/dbraw/zinc/36/52/17/400365217.db2.gz RSIRLSWEZNGKKI-SNVBAGLBSA-N 1 2 318.295 3.224 20 5 DGBDLO Cc1ccc(NCC2CC[NH+](CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000590567635 400396870 /nfs/dbraw/zinc/39/68/70/400396870.db2.gz QFWNUJLEIAMAAG-UHFFFAOYSA-N 1 2 313.348 3.292 20 5 DGBDLO CC1(C)OCC[C@@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596544249 400441012 /nfs/dbraw/zinc/44/10/12/400441012.db2.gz OCBAVAFMVSDQDJ-GFCCVEGCSA-N 1 2 301.346 3.370 20 5 DGBDLO O=[N+]([O-])c1sc(C[NH+]2CCCCC2)cc1Br ZINC000602493095 400479271 /nfs/dbraw/zinc/47/92/71/400479271.db2.gz JZAVRTGFKWSVDX-UHFFFAOYSA-N 1 2 305.197 3.405 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCc4occc43)nc2c1 ZINC000602512572 400483779 /nfs/dbraw/zinc/48/37/79/400483779.db2.gz VJBNGMJVVWNPAD-LBPRGKRZSA-N 1 2 313.313 3.496 20 5 DGBDLO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000591145004 400492642 /nfs/dbraw/zinc/49/26/42/400492642.db2.gz KHFJZPGYUQGKGG-HNNXBMFYSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000045860073 400538479 /nfs/dbraw/zinc/53/84/79/400538479.db2.gz OEKFRLQHYVJFLG-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000130616282 400541931 /nfs/dbraw/zinc/54/19/31/400541931.db2.gz YBOOBJHFVITHGX-OAHLLOKOSA-N 1 2 318.352 3.411 20 5 DGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000130616282 400541936 /nfs/dbraw/zinc/54/19/36/400541936.db2.gz YBOOBJHFVITHGX-OAHLLOKOSA-N 1 2 318.352 3.411 20 5 DGBDLO Cc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000046106015 400550987 /nfs/dbraw/zinc/55/09/87/400550987.db2.gz AWHTZDUHRMHNKS-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO Cc1nc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCCCC2)no1 ZINC000138840373 400600947 /nfs/dbraw/zinc/60/09/47/400600947.db2.gz JJVCSZCYJDSXJV-UHFFFAOYSA-N 1 2 316.361 3.235 20 5 DGBDLO Cc1cc(NCCC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000603937153 400735566 /nfs/dbraw/zinc/73/55/66/400735566.db2.gz LURUPLRFEUGINY-UHFFFAOYSA-N 1 2 300.362 3.240 20 5 DGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000604484714 400779496 /nfs/dbraw/zinc/77/94/96/400779496.db2.gz FFRHNOUTMWRJEG-UHFFFAOYSA-N 1 2 308.297 3.237 20 5 DGBDLO Cc1occc1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604508362 400782707 /nfs/dbraw/zinc/78/27/07/400782707.db2.gz HAOBAFAWTDZBOB-UHFFFAOYSA-N 1 2 324.340 3.296 20 5 DGBDLO CCO[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000599084509 400955678 /nfs/dbraw/zinc/95/56/78/400955678.db2.gz SUWMFCVNNFFNHA-BLLLJJGKSA-N 1 2 315.373 3.394 20 5 DGBDLO CCC(CC)(CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599059158 400943569 /nfs/dbraw/zinc/94/35/69/400943569.db2.gz NSQBNBJCAFGLFW-UHFFFAOYSA-N 1 2 303.362 3.354 20 5 DGBDLO CO[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1(C)C ZINC000599063560 400944726 /nfs/dbraw/zinc/94/47/26/400944726.db2.gz ZVSILKCYTFEGJM-ZIAGYGMSSA-N 1 2 301.346 3.368 20 5 DGBDLO CCOC(=O)C[C@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599063527 400944966 /nfs/dbraw/zinc/94/49/66/400944966.db2.gz CRFYMZXCOTZVDV-NSHDSACASA-N 1 2 317.345 3.144 20 5 DGBDLO CCC1(CO)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599064231 400945186 /nfs/dbraw/zinc/94/51/86/400945186.db2.gz LLEIJEFGVVQNNL-UHFFFAOYSA-N 1 2 315.373 3.132 20 5 DGBDLO Cc1ccn2cc(CNc3ccc(F)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000079860938 400901803 /nfs/dbraw/zinc/90/18/03/400901803.db2.gz WDQXAWQPZQOMDH-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC2(C1)CC(F)(F)C2 ZINC000599074491 400952375 /nfs/dbraw/zinc/95/23/75/400952375.db2.gz MYBDVYDSGBTXOA-UHFFFAOYSA-N 1 2 305.284 3.379 20 5 DGBDLO CO[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[C@H]1C ZINC000599074240 400952648 /nfs/dbraw/zinc/95/26/48/400952648.db2.gz VFSBHDPHIIDZBZ-IAQYHMDHSA-N 1 2 301.346 3.004 20 5 DGBDLO CCOC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599027706 400931595 /nfs/dbraw/zinc/93/15/95/400931595.db2.gz PYSFDKVVDPYDOO-UHFFFAOYSA-N 1 2 301.346 3.148 20 5 DGBDLO CCO[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599028755 400932202 /nfs/dbraw/zinc/93/22/02/400932202.db2.gz XFDZISVDHSDKMP-ZDUSSCGKSA-N 1 2 301.346 3.148 20 5 DGBDLO COc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1[N+](=O)[O-] ZINC000599035937 400934222 /nfs/dbraw/zinc/93/42/22/400934222.db2.gz VZYMWRFJPZIBDN-NSHDSACASA-N 1 2 319.386 3.227 20 5 DGBDLO O=[N+]([O-])c1c(NCCC2(CO)CCC2)ccc2c[nH+]ccc21 ZINC000599097456 400960344 /nfs/dbraw/zinc/96/03/44/400960344.db2.gz INAMHHWKZDGJHA-UHFFFAOYSA-N 1 2 301.346 3.108 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC(F)(F)C(F)F)c2c1 ZINC000599112583 400963175 /nfs/dbraw/zinc/96/31/75/400963175.db2.gz PXQTWQFJKCZDTM-UHFFFAOYSA-N 1 2 303.215 3.455 20 5 DGBDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000594051321 400965231 /nfs/dbraw/zinc/96/52/31/400965231.db2.gz PSJGDISXFLFYKX-UHFFFAOYSA-N 1 2 320.389 3.291 20 5 DGBDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000594051321 400965237 /nfs/dbraw/zinc/96/52/37/400965237.db2.gz PSJGDISXFLFYKX-UHFFFAOYSA-N 1 2 320.389 3.291 20 5 DGBDLO C[C@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599514808 401064794 /nfs/dbraw/zinc/06/47/94/401064794.db2.gz KQRFYVHDDXENMD-UWVGGRQHSA-N 1 2 300.305 3.024 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599514806 401065129 /nfs/dbraw/zinc/06/51/29/401065129.db2.gz KQRFYVHDDXENMD-AOOOYVTPSA-N 1 2 300.305 3.024 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599514806 401065134 /nfs/dbraw/zinc/06/51/34/401065134.db2.gz KQRFYVHDDXENMD-AOOOYVTPSA-N 1 2 300.305 3.024 20 5 DGBDLO O=[N+]([O-])c1ccccc1NCc1ccccc1Cn1cc[nH+]c1 ZINC000060446110 401117615 /nfs/dbraw/zinc/11/76/15/401117615.db2.gz ITQXCMRMKDFCGB-UHFFFAOYSA-N 1 2 308.341 3.452 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599616751 401092304 /nfs/dbraw/zinc/09/23/04/401092304.db2.gz CWPFFEKSSMQMSK-GFCCVEGCSA-N 1 2 324.384 3.382 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599616751 401092309 /nfs/dbraw/zinc/09/23/09/401092309.db2.gz CWPFFEKSSMQMSK-GFCCVEGCSA-N 1 2 324.384 3.382 20 5 DGBDLO Cc1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000594996599 401224538 /nfs/dbraw/zinc/22/45/38/401224538.db2.gz SSPRJHVTCBYJNS-OAHLLOKOSA-N 1 2 322.311 3.005 20 5 DGBDLO CCc1nc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cs1 ZINC000063604362 401203003 /nfs/dbraw/zinc/20/30/03/401203003.db2.gz DXNYNRFQGVFSDB-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO CCc1nc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cs1 ZINC000063604362 401203005 /nfs/dbraw/zinc/20/30/05/401203005.db2.gz DXNYNRFQGVFSDB-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO COc1ccc(F)cc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607395 401204855 /nfs/dbraw/zinc/20/48/55/401204855.db2.gz HEGVXTYYPSMVFW-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc(F)cc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607395 401204861 /nfs/dbraw/zinc/20/48/61/401204861.db2.gz HEGVXTYYPSMVFW-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cs1 ZINC000064483037 401240389 /nfs/dbraw/zinc/24/03/89/401240389.db2.gz MIDPLTZYPLBPFB-CQSZACIVSA-N 1 2 322.386 3.431 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cs1 ZINC000064483037 401240392 /nfs/dbraw/zinc/24/03/92/401240392.db2.gz MIDPLTZYPLBPFB-CQSZACIVSA-N 1 2 322.386 3.431 20 5 DGBDLO CCC(=O)c1ccc(NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000359367988 286293853 /nfs/dbraw/zinc/29/38/53/286293853.db2.gz FWWPRZQTHUFDBW-UHFFFAOYSA-N 1 2 324.340 3.447 20 5 DGBDLO CCc1ccc([C@@H](CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000359625654 286349722 /nfs/dbraw/zinc/34/97/22/286349722.db2.gz OFGKJAPDHBMZLW-MRXNPFEDSA-N 1 2 318.348 3.120 20 5 DGBDLO CCC(=O)c1ccc(N[C@H](CC)c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000359714186 286366549 /nfs/dbraw/zinc/36/65/49/286366549.db2.gz NJYUXTVFUBRJQJ-LLVKDONJSA-N 1 2 302.334 3.474 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)CCC2 ZINC000361191125 286620625 /nfs/dbraw/zinc/62/06/25/286620625.db2.gz ZCRXXKZMGNPTSV-SNVBAGLBSA-N 1 2 322.315 3.367 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1nc(C)no1 ZINC000361609554 286699127 /nfs/dbraw/zinc/69/91/27/286699127.db2.gz JDTVZOATWHPRHQ-PFEDMVJOSA-N 1 2 302.334 3.040 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000365443656 287132588 /nfs/dbraw/zinc/13/25/88/287132588.db2.gz OTIQNEXGKMNLOS-WHEQGISXSA-N 1 2 324.446 3.061 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000365443656 287132590 /nfs/dbraw/zinc/13/25/90/287132590.db2.gz OTIQNEXGKMNLOS-WHEQGISXSA-N 1 2 324.446 3.061 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCC[C@H]3CCO)c2c1 ZINC000413251058 230166153 /nfs/dbraw/zinc/16/61/53/230166153.db2.gz PASRJRKKMIRLGE-WFASDCNBSA-N 1 2 301.346 3.106 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193365959 263793076 /nfs/dbraw/zinc/79/30/76/263793076.db2.gz DVSPFOXPOWRXNZ-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000348241192 264372398 /nfs/dbraw/zinc/37/23/98/264372398.db2.gz QWISGUWBTUTKNF-BMIGLBTASA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000348241192 264372399 /nfs/dbraw/zinc/37/23/99/264372399.db2.gz QWISGUWBTUTKNF-BMIGLBTASA-N 1 2 310.781 3.248 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000352388668 265027793 /nfs/dbraw/zinc/02/77/93/265027793.db2.gz TYBNKDQTDCMPPV-WBVHZDCISA-N 1 2 304.390 3.472 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000352388668 265027795 /nfs/dbraw/zinc/02/77/95/265027795.db2.gz TYBNKDQTDCMPPV-WBVHZDCISA-N 1 2 304.390 3.472 20 5 DGBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1F ZINC000352741274 265146579 /nfs/dbraw/zinc/14/65/79/265146579.db2.gz WUCMPBAMISEMLB-UHFFFAOYSA-N 1 2 318.304 3.095 20 5 DGBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1F ZINC000352741274 265146580 /nfs/dbraw/zinc/14/65/80/265146580.db2.gz WUCMPBAMISEMLB-UHFFFAOYSA-N 1 2 318.304 3.095 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000353613709 265487020 /nfs/dbraw/zinc/48/70/20/265487020.db2.gz PSXVWMCXIUQRGV-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000353613709 265487022 /nfs/dbraw/zinc/48/70/22/265487022.db2.gz PSXVWMCXIUQRGV-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO Cc1cc(NCCOc2ccc([N+](=O)[O-])cc2)nc(C2CC2)[nH+]1 ZINC000522570652 424829965 /nfs/dbraw/zinc/82/99/65/424829965.db2.gz CUOGPMGHXBZNDG-UHFFFAOYSA-N 1 2 314.345 3.062 20 5 DGBDLO CCCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1F ZINC000355557460 266114339 /nfs/dbraw/zinc/11/43/39/266114339.db2.gz SEFFAKMCIQECRY-UHFFFAOYSA-N 1 2 320.368 3.270 20 5 DGBDLO CCCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1F ZINC000355557460 266114342 /nfs/dbraw/zinc/11/43/42/266114342.db2.gz SEFFAKMCIQECRY-UHFFFAOYSA-N 1 2 320.368 3.270 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000355750944 266173457 /nfs/dbraw/zinc/17/34/57/266173457.db2.gz MUWWXGQCHZSQOO-NVXWUHKLSA-N 1 2 320.389 3.135 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000355750944 266173461 /nfs/dbraw/zinc/17/34/61/266173461.db2.gz MUWWXGQCHZSQOO-NVXWUHKLSA-N 1 2 320.389 3.135 20 5 DGBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(Cl)c1 ZINC000355788458 266186403 /nfs/dbraw/zinc/18/64/03/266186403.db2.gz BQABKZNENHNICY-UHFFFAOYSA-N 1 2 308.769 3.004 20 5 DGBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(Cl)c1 ZINC000355788458 266186406 /nfs/dbraw/zinc/18/64/06/266186406.db2.gz BQABKZNENHNICY-UHFFFAOYSA-N 1 2 308.769 3.004 20 5 DGBDLO COc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000359864038 271001497 /nfs/dbraw/zinc/00/14/97/271001497.db2.gz ZHRWDILEWYNNLE-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000359864038 271001500 /nfs/dbraw/zinc/00/15/00/271001500.db2.gz ZHRWDILEWYNNLE-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO Cc1cccc(N(C)Cc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000369341890 271265296 /nfs/dbraw/zinc/26/52/96/271265296.db2.gz GLRMIDCCPSZKQG-UHFFFAOYSA-N 1 2 300.362 3.072 20 5 DGBDLO CCO[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000413323602 276339487 /nfs/dbraw/zinc/33/94/87/276339487.db2.gz YTHVMWJBBHNZQM-BLLLJJGKSA-N 1 2 315.373 3.394 20 5 DGBDLO CCc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])nc[nH+]1 ZINC000611493887 430567863 /nfs/dbraw/zinc/56/78/63/430567863.db2.gz WGLTWERJZNEOEZ-UHFFFAOYSA-N 1 2 306.753 3.255 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCO1 ZINC000293057053 288211530 /nfs/dbraw/zinc/21/15/30/288211530.db2.gz KWXCVRDPUVMJGJ-SNVBAGLBSA-N 1 2 318.295 3.224 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCO1 ZINC000293057053 288211531 /nfs/dbraw/zinc/21/15/31/288211531.db2.gz KWXCVRDPUVMJGJ-SNVBAGLBSA-N 1 2 318.295 3.224 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489186092 280363969 /nfs/dbraw/zinc/36/39/69/280363969.db2.gz RHVRROLIQQPGMO-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489186092 280363970 /nfs/dbraw/zinc/36/39/70/280363970.db2.gz RHVRROLIQQPGMO-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO CCN(CC)c1ccc(CNc2nc(C)ccc2[N+](=O)[O-])c[nH+]1 ZINC000121429529 431786728 /nfs/dbraw/zinc/78/67/28/431786728.db2.gz JJPWJUVDGRHOLN-UHFFFAOYSA-N 1 2 315.377 3.152 20 5 DGBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000090451539 431892132 /nfs/dbraw/zinc/89/21/32/431892132.db2.gz WOTNOUDIRCTSGF-CHWSQXEVSA-N 1 2 322.405 3.236 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(N(C)C)[nH+]c1 ZINC000153345105 432401505 /nfs/dbraw/zinc/40/15/05/432401505.db2.gz KXEGGXUQWCMNJI-UHFFFAOYSA-N 1 2 316.361 3.067 20 5 DGBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccco1 ZINC000152859394 432364166 /nfs/dbraw/zinc/36/41/66/432364166.db2.gz LDDTXLFVEJXZPB-UHFFFAOYSA-N 1 2 313.313 3.475 20 5 DGBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccco1 ZINC000152859394 432364170 /nfs/dbraw/zinc/36/41/70/432364170.db2.gz LDDTXLFVEJXZPB-UHFFFAOYSA-N 1 2 313.313 3.475 20 5 DGBDLO COc1ncccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000193408789 432472410 /nfs/dbraw/zinc/47/24/10/432472410.db2.gz JEKUIGZHFIGTPK-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ncccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000193408789 432472414 /nfs/dbraw/zinc/47/24/14/432472414.db2.gz JEKUIGZHFIGTPK-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000272323449 432481068 /nfs/dbraw/zinc/48/10/68/432481068.db2.gz QQPRLUTXZUYEDH-HNNXBMFYSA-N 1 2 322.336 3.367 20 5 DGBDLO O=[N+]([O-])c1cccc(NCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000176898911 432562974 /nfs/dbraw/zinc/56/29/74/432562974.db2.gz QAEOQTXCAQZYGD-UHFFFAOYSA-N 1 2 308.341 3.452 20 5 DGBDLO COC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000177573610 432638115 /nfs/dbraw/zinc/63/81/15/432638115.db2.gz CNIDOYUHBKKGHO-GFCCVEGCSA-N 1 2 310.737 3.319 20 5 DGBDLO Cc1cccn2cc(CSc3ccc([N+](=O)[O-])cn3)[nH+]c12 ZINC000159744472 432693216 /nfs/dbraw/zinc/69/32/16/432693216.db2.gz PZCXAMONAADPQH-UHFFFAOYSA-N 1 2 300.343 3.238 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000178157329 432700621 /nfs/dbraw/zinc/70/06/21/432700621.db2.gz SSDGUGIMDUXPMT-UHFFFAOYSA-N 1 2 311.345 3.219 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000266542967 432763339 /nfs/dbraw/zinc/76/33/39/432763339.db2.gz QPRUXIBBFVYMDW-BXUZGUMPSA-N 1 2 319.386 3.186 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000266542967 432763342 /nfs/dbraw/zinc/76/33/42/432763342.db2.gz QPRUXIBBFVYMDW-BXUZGUMPSA-N 1 2 319.386 3.186 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000268293923 432862121 /nfs/dbraw/zinc/86/21/21/432862121.db2.gz VORRCPHYYLPHTH-CJNGLKHVSA-N 1 2 300.362 3.187 20 5 DGBDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296876783 432934459 /nfs/dbraw/zinc/93/44/59/432934459.db2.gz CCVHVAFSGFUEOJ-NSHDSACASA-N 1 2 314.345 3.489 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000349621410 432983092 /nfs/dbraw/zinc/98/30/92/432983092.db2.gz ZPCCMAXNTCAOEE-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc[nH+]cc1CC ZINC000280621470 433111966 /nfs/dbraw/zinc/11/19/66/433111966.db2.gz YFKFYNWXUCFGTK-UHFFFAOYSA-N 1 2 315.329 3.203 20 5 DGBDLO CO[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290782397 433166392 /nfs/dbraw/zinc/16/63/92/433166392.db2.gz WOVAYZYGDRCIJQ-VXGBXAGGSA-N 1 2 316.361 3.196 20 5 DGBDLO CC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000413169311 433261692 /nfs/dbraw/zinc/26/16/92/433261692.db2.gz MFRNYDGMNICCFV-CYBMUJFWSA-N 1 2 303.387 3.475 20 5 DGBDLO CCOC1CC(CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413260877 433266200 /nfs/dbraw/zinc/26/62/00/433266200.db2.gz RPBXKRNUPVZJSH-UHFFFAOYSA-N 1 2 315.373 3.760 20 5 DGBDLO CC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413277348 433272579 /nfs/dbraw/zinc/27/25/79/433272579.db2.gz XJKRJKYPHAUFFW-AWEZNQCLSA-N 1 2 301.346 3.148 20 5 DGBDLO COCC(C)(C)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413305849 433273443 /nfs/dbraw/zinc/27/34/43/433273443.db2.gz WEBMRCPEZAUPNS-UHFFFAOYSA-N 1 2 317.389 4.008 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000361609553 433284940 /nfs/dbraw/zinc/28/49/40/433284940.db2.gz JDTVZOATWHPRHQ-HUYFXPKMSA-N 1 2 302.334 3.040 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420942574 433335276 /nfs/dbraw/zinc/33/52/76/433335276.db2.gz HDQOVTVZELKFAZ-SNVBAGLBSA-N 1 2 318.295 3.465 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420942574 433335286 /nfs/dbraw/zinc/33/52/86/433335286.db2.gz HDQOVTVZELKFAZ-SNVBAGLBSA-N 1 2 318.295 3.465 20 5 DGBDLO COc1cccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339066548 433335362 /nfs/dbraw/zinc/33/53/62/433335362.db2.gz UCLNRHXFWZZQQV-NSHDSACASA-N 1 2 302.330 3.160 20 5 DGBDLO CC(C)(C)[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000448366455 433400978 /nfs/dbraw/zinc/40/09/78/433400978.db2.gz LXHKFJSWIKZXLE-IQIBNGDESA-N 1 2 304.390 3.355 20 5 DGBDLO CC(C)(C)[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000448366455 433400988 /nfs/dbraw/zinc/40/09/88/433400988.db2.gz LXHKFJSWIKZXLE-IQIBNGDESA-N 1 2 304.390 3.355 20 5 DGBDLO Cn1cc[nH+]c1CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342054910 433441173 /nfs/dbraw/zinc/44/11/73/433441173.db2.gz ARNKRZFTYAZHHA-UHFFFAOYSA-N 1 2 301.133 3.247 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000375615987 433508030 /nfs/dbraw/zinc/50/80/30/433508030.db2.gz CCDSJMXQWOIJHH-HNNXBMFYSA-N 1 2 316.361 3.054 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000375615987 433508037 /nfs/dbraw/zinc/50/80/37/433508037.db2.gz CCDSJMXQWOIJHH-HNNXBMFYSA-N 1 2 316.361 3.054 20 5 DGBDLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ncc1[N+](=O)[O-] ZINC000301427747 433549061 /nfs/dbraw/zinc/54/90/61/433549061.db2.gz IGYHZPXRSOEWJX-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO CCC[C@@H](CC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448815697 433566420 /nfs/dbraw/zinc/56/64/20/433566420.db2.gz HQZNYQTUEHIGMZ-CYBMUJFWSA-N 1 2 316.361 3.089 20 5 DGBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(C)[nH+]1 ZINC000421580233 433639715 /nfs/dbraw/zinc/63/97/15/433639715.db2.gz MQHPJZXAVKJJFM-UHFFFAOYSA-N 1 2 313.357 3.153 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])cc1F ZINC000362328647 433647175 /nfs/dbraw/zinc/64/71/75/433647175.db2.gz ULXBLYUCICPYOX-UHFFFAOYSA-N 1 2 319.336 3.078 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])cc1F ZINC000362328647 433647183 /nfs/dbraw/zinc/64/71/83/433647183.db2.gz ULXBLYUCICPYOX-UHFFFAOYSA-N 1 2 319.336 3.078 20 5 DGBDLO CCc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000356522423 433602017 /nfs/dbraw/zinc/60/20/17/433602017.db2.gz ITOMPDQSYFFKDL-UHFFFAOYSA-N 1 2 302.330 3.145 20 5 DGBDLO CCc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000356522423 433602024 /nfs/dbraw/zinc/60/20/24/433602024.db2.gz ITOMPDQSYFFKDL-UHFFFAOYSA-N 1 2 302.330 3.145 20 5 DGBDLO O=[N+]([O-])c1c(NCCCCn2cc[nH+]c2)ccc2ncccc21 ZINC000321292630 292899593 /nfs/dbraw/zinc/89/95/93/292899593.db2.gz HLKGRIUMBZGBPG-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO COC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000342321055 433617038 /nfs/dbraw/zinc/61/70/38/433617038.db2.gz GNHJVLCQQBTWTI-HNNXBMFYSA-N 1 2 322.311 3.350 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccncc2F)C2CC2)cc1 ZINC000449011987 433660554 /nfs/dbraw/zinc/66/05/54/433660554.db2.gz XDCSRWRSVWUVDE-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccncc2F)C2CC2)cc1 ZINC000449011987 433660562 /nfs/dbraw/zinc/66/05/62/433660562.db2.gz XDCSRWRSVWUVDE-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370054936 293152176 /nfs/dbraw/zinc/15/21/76/293152176.db2.gz FVHXONGUIMZEPL-WCQYABFASA-N 1 2 318.377 3.203 20 5 DGBDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370054936 293152179 /nfs/dbraw/zinc/15/21/79/293152179.db2.gz FVHXONGUIMZEPL-WCQYABFASA-N 1 2 318.377 3.203 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000373730186 293310562 /nfs/dbraw/zinc/31/05/62/293310562.db2.gz UFMMFHIYQXXXJL-HNNXBMFYSA-N 1 2 317.345 3.237 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000373730186 293310563 /nfs/dbraw/zinc/31/05/63/293310563.db2.gz UFMMFHIYQXXXJL-HNNXBMFYSA-N 1 2 317.345 3.237 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc(C3CC3)s2)c(Cl)c1 ZINC000414551362 433714487 /nfs/dbraw/zinc/71/44/87/433714487.db2.gz FMOYICVNVRMUPC-UHFFFAOYSA-N 1 2 324.793 3.267 20 5 DGBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000351966777 433822827 /nfs/dbraw/zinc/82/28/27/433822827.db2.gz DYKCHASGJHTLLX-CABCVRRESA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000351966777 433822833 /nfs/dbraw/zinc/82/28/33/433822833.db2.gz DYKCHASGJHTLLX-CABCVRRESA-N 1 2 308.353 3.123 20 5 DGBDLO C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285371687 433926339 /nfs/dbraw/zinc/92/63/39/433926339.db2.gz QYRQYQRLDVRTOW-LLVKDONJSA-N 1 2 316.361 3.091 20 5 DGBDLO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285371687 433926348 /nfs/dbraw/zinc/92/63/48/433926348.db2.gz QYRQYQRLDVRTOW-LLVKDONJSA-N 1 2 316.361 3.091 20 5 DGBDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000285377316 433927051 /nfs/dbraw/zinc/92/70/51/433927051.db2.gz MYEOIUCIKHICSO-CQSZACIVSA-N 1 2 316.361 3.054 20 5 DGBDLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000285377316 433927064 /nfs/dbraw/zinc/92/70/64/433927064.db2.gz MYEOIUCIKHICSO-CQSZACIVSA-N 1 2 316.361 3.054 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000377629421 433930839 /nfs/dbraw/zinc/93/08/39/433930839.db2.gz ROJSUSYHBSTSQB-HNNXBMFYSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000377629421 433930845 /nfs/dbraw/zinc/93/08/45/433930845.db2.gz ROJSUSYHBSTSQB-HNNXBMFYSA-N 1 2 300.362 3.354 20 5 DGBDLO Nc1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000302839993 433883711 /nfs/dbraw/zinc/88/37/11/433883711.db2.gz ZTJUUGOYONIKPT-UHFFFAOYSA-N 1 2 313.144 3.491 20 5 DGBDLO CC(C)[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000352047070 433885752 /nfs/dbraw/zinc/88/57/52/433885752.db2.gz KITZIUYVSFHJNH-AWEZNQCLSA-N 1 2 316.373 3.446 20 5 DGBDLO CC(C)[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000352047070 433885758 /nfs/dbraw/zinc/88/57/58/433885758.db2.gz KITZIUYVSFHJNH-AWEZNQCLSA-N 1 2 316.373 3.446 20 5 DGBDLO COc1cc(NCc2ccn3cc[nH+]c3c2)c(F)cc1[N+](=O)[O-] ZINC000357440534 434020623 /nfs/dbraw/zinc/02/06/23/434020623.db2.gz PQEJMYHLXAEFIF-UHFFFAOYSA-N 1 2 316.292 3.002 20 5 DGBDLO Cc1ccc2[nH+]c(CNc3c(F)cc([N+](=O)[O-])cc3F)cn2c1 ZINC000346106682 434120120 /nfs/dbraw/zinc/12/01/20/434120120.db2.gz TWAGGBGWYPBITM-UHFFFAOYSA-N 1 2 318.283 3.441 20 5 DGBDLO COCc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000507167871 294286277 /nfs/dbraw/zinc/28/62/77/294286277.db2.gz OXGDRLMDZJIHQQ-UHFFFAOYSA-N 1 2 316.357 3.499 20 5 DGBDLO COCc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000507167871 294286280 /nfs/dbraw/zinc/28/62/80/294286280.db2.gz OXGDRLMDZJIHQQ-UHFFFAOYSA-N 1 2 316.357 3.499 20 5 DGBDLO CC(C)CO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286414982 434262229 /nfs/dbraw/zinc/26/22/29/434262229.db2.gz MBEKWYMAZHSXOX-LBPRGKRZSA-N 1 2 314.332 3.120 20 5 DGBDLO CC(C)CO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286414982 434262239 /nfs/dbraw/zinc/26/22/39/434262239.db2.gz MBEKWYMAZHSXOX-LBPRGKRZSA-N 1 2 314.332 3.120 20 5 DGBDLO Cc1ccc2[nH+]c(CN3CCc4c3cccc4[N+](=O)[O-])cn2c1 ZINC000353551738 434222782 /nfs/dbraw/zinc/22/27/82/434222782.db2.gz VWPUOWGJIKDVTO-UHFFFAOYSA-N 1 2 308.341 3.114 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000450686972 434338424 /nfs/dbraw/zinc/33/84/24/434338424.db2.gz VBJLYVDYYVGNMQ-JTQLQIEISA-N 1 2 318.402 3.483 20 5 DGBDLO CC(=O)c1ccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450834743 434434091 /nfs/dbraw/zinc/43/40/91/434434091.db2.gz VKULBUNGCGDXDM-TVQRCGJNSA-N 1 2 300.318 3.112 20 5 DGBDLO CCOc1cc(NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000348741432 434467835 /nfs/dbraw/zinc/46/78/35/434467835.db2.gz IWGBMAVGUKKFGW-UHFFFAOYSA-N 1 2 316.361 3.067 20 5 DGBDLO Cc1cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000341000898 434476055 /nfs/dbraw/zinc/47/60/55/434476055.db2.gz VZQGAAISBLPMRK-LBPRGKRZSA-N 1 2 300.362 3.990 20 5 DGBDLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851965 434711544 /nfs/dbraw/zinc/71/15/44/434711544.db2.gz SZHOVQRRKLBKIN-BXUZGUMPSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851965 434711548 /nfs/dbraw/zinc/71/15/48/434711548.db2.gz SZHOVQRRKLBKIN-BXUZGUMPSA-N 1 2 318.352 3.051 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c(Cl)c1 ZINC000371711887 434737741 /nfs/dbraw/zinc/73/77/41/434737741.db2.gz WULIRNBJPCNURP-ZDUSSCGKSA-N 1 2 306.753 3.139 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c(Cl)c1 ZINC000371711887 434737747 /nfs/dbraw/zinc/73/77/47/434737747.db2.gz WULIRNBJPCNURP-ZDUSSCGKSA-N 1 2 306.753 3.139 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)c2ccncc21 ZINC000354379600 434742111 /nfs/dbraw/zinc/74/21/11/434742111.db2.gz BTZCHYDIWZMUKD-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411909457 434842595 /nfs/dbraw/zinc/84/25/95/434842595.db2.gz SJTAPFHUFUVMQZ-LBPRGKRZSA-N 1 2 320.389 3.289 20 5 DGBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411909457 434842598 /nfs/dbraw/zinc/84/25/98/434842598.db2.gz SJTAPFHUFUVMQZ-LBPRGKRZSA-N 1 2 320.389 3.289 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000492459043 434987018 /nfs/dbraw/zinc/98/70/18/434987018.db2.gz FFVSJYJOQPVQFD-HNNXBMFYSA-N 1 2 322.405 3.240 20 5 DGBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000492459043 434987021 /nfs/dbraw/zinc/98/70/21/434987021.db2.gz FFVSJYJOQPVQFD-HNNXBMFYSA-N 1 2 322.405 3.240 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2ccc[nH+]c2C)n1 ZINC000558336803 435085854 /nfs/dbraw/zinc/08/58/54/435085854.db2.gz VKYPGMLBRQBOAY-UHFFFAOYSA-N 1 2 310.313 3.247 20 5 DGBDLO C[C@@]1(C2CC2)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000595625404 435309260 /nfs/dbraw/zinc/30/92/60/435309260.db2.gz MITPKJQLZPXVJZ-HNNXBMFYSA-N 1 2 310.781 3.249 20 5 DGBDLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000595625404 435309263 /nfs/dbraw/zinc/30/92/63/435309263.db2.gz MITPKJQLZPXVJZ-HNNXBMFYSA-N 1 2 310.781 3.249 20 5 DGBDLO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC000483432588 435519271 /nfs/dbraw/zinc/51/92/71/435519271.db2.gz JFWOTMSEOOBXGY-HNNXBMFYSA-N 1 2 308.378 3.149 20 5 DGBDLO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC000483432588 435519275 /nfs/dbraw/zinc/51/92/75/435519275.db2.gz JFWOTMSEOOBXGY-HNNXBMFYSA-N 1 2 308.378 3.149 20 5 DGBDLO C[N@H+](CCOc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000551329101 435830626 /nfs/dbraw/zinc/83/06/26/435830626.db2.gz KZPOWLUYQFJJMY-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO C[N@@H+](CCOc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000551329101 435830632 /nfs/dbraw/zinc/83/06/32/435830632.db2.gz KZPOWLUYQFJJMY-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO Cc1ccccc1[C@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000552068564 435878161 /nfs/dbraw/zinc/87/81/61/435878161.db2.gz RVAIMRUIHJEUGI-INIZCTEOSA-N 1 2 322.311 3.005 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000542662681 314089283 /nfs/dbraw/zinc/08/92/83/314089283.db2.gz RZIAQZYGWBOCDY-SFHVURJKSA-N 1 2 320.352 3.264 20 5 DGBDLO Cc1cc(C)c(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000560470083 314923987 /nfs/dbraw/zinc/92/39/87/314923987.db2.gz DERDBWUGGOCMCL-ZDUSSCGKSA-N 1 2 313.357 3.027 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000181371383 323252823 /nfs/dbraw/zinc/25/28/23/323252823.db2.gz KCHDWGNWYWHIIW-GFCCVEGCSA-N 1 2 324.340 3.496 20 5 DGBDLO CCCCc1noc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181806622 323270170 /nfs/dbraw/zinc/27/01/70/323270170.db2.gz VBZRXOYYVUXANE-LBPRGKRZSA-N 1 2 318.377 3.480 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOCC4(CCC4)C3)c2c1 ZINC000583611711 324375550 /nfs/dbraw/zinc/37/55/50/324375550.db2.gz KJXDXXZPRYMRSB-UHFFFAOYSA-N 1 2 313.357 3.150 20 5 DGBDLO Cc1c([C@@H]2C[C@H]2Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000413259727 533950567 /nfs/dbraw/zinc/95/05/67/533950567.db2.gz DDYJOCVAOCPURZ-GOEBONIOSA-N 1 2 323.356 3.153 20 5 DGBDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000444788435 527916744 /nfs/dbraw/zinc/91/67/44/527916744.db2.gz VKAAXIIPCYBZPN-KRWDZBQOSA-N 1 2 320.389 3.293 20 5 DGBDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000444788435 527916747 /nfs/dbraw/zinc/91/67/47/527916747.db2.gz VKAAXIIPCYBZPN-KRWDZBQOSA-N 1 2 320.389 3.293 20 5 DGBDLO CC1CCC(O)(Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000174741989 528203681 /nfs/dbraw/zinc/20/36/81/528203681.db2.gz FSBHXQDYTCTXEW-UHFFFAOYSA-N 1 2 315.373 3.400 20 5 DGBDLO CC(C)Cc1noc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296715558 528682027 /nfs/dbraw/zinc/68/20/27/528682027.db2.gz MNQIOQYAUHXTHD-NSHDSACASA-N 1 2 304.350 3.027 20 5 DGBDLO CCC(CC)(CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413193490 528707956 /nfs/dbraw/zinc/70/79/56/528707956.db2.gz AGYGYIXKFKTNRP-UHFFFAOYSA-N 1 2 303.362 3.354 20 5 DGBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735493348 574704219 /nfs/dbraw/zinc/70/42/19/574704219.db2.gz ONPQVJNRFLJUJP-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735493348 574704221 /nfs/dbraw/zinc/70/42/21/574704221.db2.gz ONPQVJNRFLJUJP-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729079652 575214992 /nfs/dbraw/zinc/21/49/92/575214992.db2.gz CXVSTYTZYHKHLQ-LBPRGKRZSA-N 1 2 317.345 3.372 20 5 DGBDLO CCC[N@@H+](Cc1ccccc1F)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746039575 575428339 /nfs/dbraw/zinc/42/83/39/575428339.db2.gz XDKXPGMSKNHYDA-UHFFFAOYSA-N 1 2 320.368 3.417 20 5 DGBDLO CCC[N@H+](Cc1ccccc1F)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746039575 575428341 /nfs/dbraw/zinc/42/83/41/575428341.db2.gz XDKXPGMSKNHYDA-UHFFFAOYSA-N 1 2 320.368 3.417 20 5 DGBDLO Cc1cc(NCCNc2cccc[nH+]2)c(Cl)cc1[N+](=O)[O-] ZINC000747203398 575505526 /nfs/dbraw/zinc/50/55/26/575505526.db2.gz DGDXXOAUFFTPGW-UHFFFAOYSA-N 1 2 306.753 3.476 20 5 DGBDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000747826347 575544394 /nfs/dbraw/zinc/54/43/94/575544394.db2.gz HGCBEXFMWVYJKJ-UHFFFAOYSA-N 1 2 323.711 3.434 20 5 DGBDLO Cc1c(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000749653146 575671150 /nfs/dbraw/zinc/67/11/50/575671150.db2.gz IDADALPBYDAGKI-OAHLLOKOSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1c(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000749653146 575671151 /nfs/dbraw/zinc/67/11/51/575671151.db2.gz IDADALPBYDAGKI-OAHLLOKOSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1c(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000749653146 575671152 /nfs/dbraw/zinc/67/11/52/575671152.db2.gz IDADALPBYDAGKI-OAHLLOKOSA-N 1 2 300.362 3.354 20 5 DGBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000751960020 575814658 /nfs/dbraw/zinc/81/46/58/575814658.db2.gz RZVYESJACIVNCH-UHFFFAOYSA-N 1 2 318.764 3.192 20 5 DGBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000751960020 575814660 /nfs/dbraw/zinc/81/46/60/575814660.db2.gz RZVYESJACIVNCH-UHFFFAOYSA-N 1 2 318.764 3.192 20 5 DGBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc2[nH+]ccn2c1 ZINC000728474756 576183519 /nfs/dbraw/zinc/18/35/19/576183519.db2.gz ANEIBYMAJFYBFF-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO O=[N+]([O-])c1c(F)cccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895355115 618601818 /nfs/dbraw/zinc/60/18/18/618601818.db2.gz HYMPENLSZIEADN-UHFFFAOYSA-N 1 2 316.336 3.210 20 5 DGBDLO CCn1c[nH+]c2c1CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000897334560 619062312 /nfs/dbraw/zinc/06/23/12/619062312.db2.gz WLNFXGGIVRQQKS-UHFFFAOYSA-N 1 2 320.780 3.023 20 5 DGBDLO CCc1onc(C)c1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000927133241 619279361 /nfs/dbraw/zinc/27/93/61/619279361.db2.gz BEJTUTYPQUTXBD-SNVBAGLBSA-N 1 2 307.325 3.444 20 5 DGBDLO COc1cc([C@H](C)[NH2+]Cc2ncc(C)s2)cc([N+](=O)[O-])c1 ZINC000903104996 619717579 /nfs/dbraw/zinc/71/75/79/619717579.db2.gz ZOZPRBVWDFAKLD-JTQLQIEISA-N 1 2 307.375 3.219 20 5 DGBDLO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000905214429 619981000 /nfs/dbraw/zinc/98/10/00/619981000.db2.gz HDCKCGNDURVOER-GFCCVEGCSA-N 1 2 321.377 3.193 20 5 DGBDLO C[C@@H]1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000922556908 621057086 /nfs/dbraw/zinc/05/70/86/621057086.db2.gz JYCIWMBWEGKEQQ-WBMJQRKESA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@@H]1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000922556908 621057091 /nfs/dbraw/zinc/05/70/91/621057091.db2.gz JYCIWMBWEGKEQQ-WBMJQRKESA-N 1 2 315.373 3.037 20 5 DGBDLO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC000753853849 621468930 /nfs/dbraw/zinc/46/89/30/621468930.db2.gz TXNBKJDNIMFDHN-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC000753853849 621468931 /nfs/dbraw/zinc/46/89/31/621468931.db2.gz TXNBKJDNIMFDHN-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(CF)cc1)CC2 ZINC000754215118 621497421 /nfs/dbraw/zinc/49/74/21/621497421.db2.gz MBINJOUVPCTFDL-UHFFFAOYSA-N 1 2 301.321 3.018 20 5 DGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(CF)cc1)CC2 ZINC000754215118 621497422 /nfs/dbraw/zinc/49/74/22/621497422.db2.gz MBINJOUVPCTFDL-UHFFFAOYSA-N 1 2 301.321 3.018 20 5 DGBDLO COCc1cc[nH+]c(N[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866385005 622107802 /nfs/dbraw/zinc/10/78/02/622107802.db2.gz QKZZSXNHVJNQAN-NSHDSACASA-N 1 2 319.336 3.318 20 5 DGBDLO CC(=O)c1c(NCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000881812937 625568100 /nfs/dbraw/zinc/56/81/00/625568100.db2.gz KRKDVKPFQDZAPN-UHFFFAOYSA-N 1 2 314.345 3.107 20 5 DGBDLO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045956 622772224 /nfs/dbraw/zinc/77/22/24/622772224.db2.gz TWSVRFFFORKDJZ-QMTHXVAHSA-N 1 2 322.311 3.257 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000872080232 622793660 /nfs/dbraw/zinc/79/36/60/622793660.db2.gz UNNBGTLLGVYWNK-QWRGUYRKSA-N 1 2 320.418 3.462 20 5 DGBDLO COCc1cc[nH+]c(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872084631 622796405 /nfs/dbraw/zinc/79/64/05/622796405.db2.gz SZSWCFPZSGVELH-JTQLQIEISA-N 1 2 305.309 3.448 20 5 DGBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000775574984 623292570 /nfs/dbraw/zinc/29/25/70/623292570.db2.gz BJDQSZWQEIGWMS-SNVBAGLBSA-N 1 2 319.292 3.493 20 5 DGBDLO O=C(O[C@@H]1C=CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676064 624712281 /nfs/dbraw/zinc/71/22/81/624712281.db2.gz ORBVDFUYPYVDSP-CYBMUJFWSA-N 1 2 313.313 3.046 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000886192054 627119395 /nfs/dbraw/zinc/11/93/95/627119395.db2.gz FPVGQFXYAWKXGK-MRXNPFEDSA-N 1 2 301.321 3.061 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000886192054 627119397 /nfs/dbraw/zinc/11/93/97/627119397.db2.gz FPVGQFXYAWKXGK-MRXNPFEDSA-N 1 2 301.321 3.061 20 5 DGBDLO CCC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000818345947 628016454 /nfs/dbraw/zinc/01/64/54/628016454.db2.gz YPPFINJHUPBXFG-OAHLLOKOSA-N 1 2 317.393 3.146 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000819627863 628174425 /nfs/dbraw/zinc/17/44/25/628174425.db2.gz HIOMANWLOJBQSF-WTKPLQERSA-N 1 2 322.324 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844459705 630732022 /nfs/dbraw/zinc/73/20/22/630732022.db2.gz BYFUVHVJRBRFFE-PHIMTYICSA-N 1 2 322.233 3.311 20 5 DGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844459705 630732024 /nfs/dbraw/zinc/73/20/24/630732024.db2.gz BYFUVHVJRBRFFE-PHIMTYICSA-N 1 2 322.233 3.311 20 5 DGBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000794681857 661098879 /nfs/dbraw/zinc/09/88/79/661098879.db2.gz FGKZHUYQPKTUBY-UHFFFAOYSA-N 1 2 320.780 3.282 20 5 DGBDLO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000932344416 661560270 /nfs/dbraw/zinc/56/02/70/661560270.db2.gz XMCIESWEOMBPHJ-JTQLQIEISA-N 1 2 318.295 3.224 20 5 DGBDLO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000932344416 661560271 /nfs/dbraw/zinc/56/02/71/661560271.db2.gz XMCIESWEOMBPHJ-JTQLQIEISA-N 1 2 318.295 3.224 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001620574185 1191998234 /nfs/dbraw/zinc/99/82/34/1191998234.db2.gz JVRYEUXDXPPWKT-HNNXBMFYSA-N 1 2 300.362 3.272 20 5 DGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001584330992 1192190381 /nfs/dbraw/zinc/19/03/81/1192190381.db2.gz TWKSBLIVBXHWDD-UHFFFAOYSA-N 1 2 322.280 3.241 20 5 DGBDLO C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC001598185027 1192766050 /nfs/dbraw/zinc/76/60/50/1192766050.db2.gz GRGXREGRJHRRDR-NSHDSACASA-N 1 2 324.340 3.005 20 5 DGBDLO C[C@@]1(Br)C[C@H]1C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335421460 1178907763 /nfs/dbraw/zinc/90/77/63/1178907763.db2.gz NAHZWOQOJKYNNM-WCQYABFASA-N 1 2 311.179 3.084 20 5 DGBDLO C[C@@]1(Br)C[C@H]1C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335421460 1178907768 /nfs/dbraw/zinc/90/77/68/1178907768.db2.gz NAHZWOQOJKYNNM-WCQYABFASA-N 1 2 311.179 3.084 20 5 DGBDLO Cc1cc(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001350445382 1180073755 /nfs/dbraw/zinc/07/37/55/1180073755.db2.gz VWEAQROVQZWJES-UHFFFAOYSA-N 1 2 313.357 3.153 20 5 DGBDLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430204 1181524406 /nfs/dbraw/zinc/52/44/06/1181524406.db2.gz XBEBNYOLHUQQJA-RKDXNWHRSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430204 1181524408 /nfs/dbraw/zinc/52/44/08/1181524408.db2.gz XBEBNYOLHUQQJA-RKDXNWHRSA-N 1 2 319.188 3.104 20 5 DGBDLO Cc1cccc2[nH+]c(CCNc3sccc3[N+](=O)[O-])cn21 ZINC001458470604 1182528433 /nfs/dbraw/zinc/52/84/33/1182528433.db2.gz SNDSLCGLKFPZFV-UHFFFAOYSA-N 1 2 302.359 3.267 20 5 DGBDLO CN(CCCNc1ccc([N+](=O)[O-])cc1F)c1cccc[nH+]1 ZINC001458556631 1182540045 /nfs/dbraw/zinc/54/00/45/1182540045.db2.gz MFTABBBNTBIPMN-UHFFFAOYSA-N 1 2 304.325 3.067 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC001460142108 1182657397 /nfs/dbraw/zinc/65/73/97/1182657397.db2.gz AKNZRFVCJRZADN-UHFFFAOYSA-N 1 2 313.332 3.418 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC001460142108 1182657399 /nfs/dbraw/zinc/65/73/99/1182657399.db2.gz AKNZRFVCJRZADN-UHFFFAOYSA-N 1 2 313.332 3.418 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001461748396 1182849640 /nfs/dbraw/zinc/84/96/40/1182849640.db2.gz VTXRJOUMTFAMAJ-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO O=[N+]([O-])c1cccc2c1ccnc2NCCNc1cccc[nH+]1 ZINC001611739974 1193440947 /nfs/dbraw/zinc/44/09/47/1193440947.db2.gz SVXYMFMMLJCJAN-UHFFFAOYSA-N 1 2 309.329 3.062 20 5 DGBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001521381864 1187020251 /nfs/dbraw/zinc/02/02/51/1187020251.db2.gz DMIHJIZOVJWJLW-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO COC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001559686220 1189231083 /nfs/dbraw/zinc/23/10/83/1189231083.db2.gz WCVFWBXFBGLQAY-HNNXBMFYSA-N 1 2 322.311 3.350 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)[nH+]c1C ZINC001560139413 1189282791 /nfs/dbraw/zinc/28/27/91/1189282791.db2.gz ZMJYXFYPYKJYHH-HNNXBMFYSA-N 1 2 318.352 3.411 20 5 DGBDLO Cn1cc([N+](=O)[O-])c(Nc2ccc([NH+]3CCCCC3)cc2)n1 ZINC001649218184 1194163576 /nfs/dbraw/zinc/16/35/76/1194163576.db2.gz GXWAAXTUNYZBJZ-UHFFFAOYSA-N 1 2 301.350 3.062 20 5 DGBDLO CC(C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC001637767843 1194685609 /nfs/dbraw/zinc/68/56/09/1194685609.db2.gz LZINESAPAGDFSO-UHFFFAOYSA-N 1 2 324.340 3.136 20 5 DGBDLO CC(C)[N@H+](CC[N+](=O)[O-])Cc1cc(Br)ccc1F ZINC001641617575 1194863378 /nfs/dbraw/zinc/86/33/78/1194863378.db2.gz QMDYRVXTZCWRMB-UHFFFAOYSA-N 1 2 319.174 3.075 20 5 DGBDLO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1cc(Br)ccc1F ZINC001641617575 1194863383 /nfs/dbraw/zinc/86/33/83/1194863383.db2.gz QMDYRVXTZCWRMB-UHFFFAOYSA-N 1 2 319.174 3.075 20 5 DGBDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001642819047 1194942931 /nfs/dbraw/zinc/94/29/31/1194942931.db2.gz MERFZRMQKUMKDN-JKSUJKDBSA-N 1 2 322.405 3.374 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)sn1 ZINC001644653207 1195124074 /nfs/dbraw/zinc/12/40/74/1195124074.db2.gz GXYSMJOGQKNADS-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)sn1 ZINC001644653207 1195124075 /nfs/dbraw/zinc/12/40/75/1195124075.db2.gz GXYSMJOGQKNADS-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO Cc1noc(C[N@@H+]2CCc3cc(C)cc(C)c3C2)c1[N+](=O)[O-] ZINC001648675994 1195321899 /nfs/dbraw/zinc/32/18/99/1195321899.db2.gz ZASVZIULKSCJOJ-UHFFFAOYSA-N 1 2 301.346 3.066 20 5 DGBDLO Cc1noc(C[N@H+]2CCc3cc(C)cc(C)c3C2)c1[N+](=O)[O-] ZINC001648675994 1195321902 /nfs/dbraw/zinc/32/19/02/1195321902.db2.gz ZASVZIULKSCJOJ-UHFFFAOYSA-N 1 2 301.346 3.066 20 5 DGBDLO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001652753080 1195648236 /nfs/dbraw/zinc/64/82/36/1195648236.db2.gz HKFZLVGAGSZTPQ-JKSUJKDBSA-N 1 2 322.405 3.326 20 5 DGBDLO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001652753080 1195648242 /nfs/dbraw/zinc/64/82/42/1195648242.db2.gz HKFZLVGAGSZTPQ-JKSUJKDBSA-N 1 2 322.405 3.326 20 5 DGBDLO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC001653190143 1195697087 /nfs/dbraw/zinc/69/70/87/1195697087.db2.gz AIRUGBUSKICALE-SNVBAGLBSA-N 1 2 314.370 3.450 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCC[NH+]1CC=CC1 ZINC001655171121 1195886574 /nfs/dbraw/zinc/88/65/74/1195886574.db2.gz REJUKQWAQCZGGX-UHFFFAOYSA-N 1 2 302.161 3.185 20 5 DGBDLO CCc1ccccc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001658302183 1196238751 /nfs/dbraw/zinc/23/87/51/1196238751.db2.gz DTPKCAJMDNYKIJ-UHFFFAOYSA-N 1 2 312.369 3.420 20 5 DGBDLO Cc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1C ZINC001658302957 1196239325 /nfs/dbraw/zinc/23/93/25/1196239325.db2.gz ZKZXTJZQRJHDFD-UHFFFAOYSA-N 1 2 312.369 3.475 20 5 DGBDLO CCc1cccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001664954625 1197080526 /nfs/dbraw/zinc/08/05/26/1197080526.db2.gz JHYVPHAJHADJFY-UHFFFAOYSA-N 1 2 312.369 3.420 20 5 DGBDLO Nc1cc(CNc2cc(Cl)ccc2/C=C/[N+](=O)[O-])cc[nH+]1 ZINC001167616607 1082607916 /nfs/dbraw/zinc/60/79/16/1082607916.db2.gz KFMWKZRZEKNORU-GQCTYLIASA-N 1 2 304.737 3.177 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(Oc3cccc(-n4cc[nH+]c4)c3)nc2c1 ZINC001185438252 1084440572 /nfs/dbraw/zinc/44/05/72/1084440572.db2.gz AGUHJXFFMUANHJ-UHFFFAOYSA-N 1 2 321.296 3.449 20 5 DGBDLO Nc1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC001209934051 1092985591 /nfs/dbraw/zinc/98/55/91/1092985591.db2.gz HCQTUERRVBCRJO-UHFFFAOYSA-N 1 2 313.361 3.306 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001120866946 1094543425 /nfs/dbraw/zinc/54/34/25/1094543425.db2.gz RCZSPXOSGFKHIZ-UHFFFAOYSA-N 1 2 306.753 3.355 20 5 DGBDLO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218233326 1094667867 /nfs/dbraw/zinc/66/78/67/1094667867.db2.gz ZTXJDHWSKIBIEI-OAHLLOKOSA-N 1 2 320.295 3.248 20 5 DGBDLO O=[N+]([O-])c1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC001337311242 1094929592 /nfs/dbraw/zinc/92/95/92/1094929592.db2.gz RNQRPBGYNPFVJJ-ZDUSSCGKSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCC(C)(C)n2cc[nH+]c2)c1C ZINC001123155007 1095176176 /nfs/dbraw/zinc/17/61/76/1095176176.db2.gz TWZLGBAJAVCVCX-UHFFFAOYSA-N 1 2 317.345 3.000 20 5 DGBDLO Cc1[nH]c2ccc(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc2[nH+]1 ZINC001228327718 1097098532 /nfs/dbraw/zinc/09/85/32/1097098532.db2.gz UNNWWLUNAYQLRX-HNNXBMFYSA-N 1 2 309.325 3.326 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@H](F)C[C@H]2C)c1F ZINC001173178297 1097356284 /nfs/dbraw/zinc/35/62/84/1097356284.db2.gz AERZWZUFQUJCHI-OUAUKWLOSA-N 1 2 314.332 3.106 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@H](F)C[C@H]2C)c1F ZINC001173178297 1097356287 /nfs/dbraw/zinc/35/62/87/1097356287.db2.gz AERZWZUFQUJCHI-OUAUKWLOSA-N 1 2 314.332 3.106 20 5 DGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001173220597 1097371867 /nfs/dbraw/zinc/37/18/67/1097371867.db2.gz BCDVVKNAUKLWMT-GXFFZTMASA-N 1 2 302.296 3.205 20 5 DGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001173220597 1097371872 /nfs/dbraw/zinc/37/18/72/1097371872.db2.gz BCDVVKNAUKLWMT-GXFFZTMASA-N 1 2 302.296 3.205 20 5 DGBDLO CCCCC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001173226700 1097375355 /nfs/dbraw/zinc/37/53/55/1097375355.db2.gz NMKZFIKFCNLRNK-CJNGLKHVSA-N 1 2 322.405 3.237 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001229949878 1097416091 /nfs/dbraw/zinc/41/60/91/1097416091.db2.gz HJUSHODGZASURD-SFHVURJKSA-N 1 2 321.336 3.327 20 5 DGBDLO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)Cc1cnccn1 ZINC001232221558 1097972863 /nfs/dbraw/zinc/97/28/63/1097972863.db2.gz AQCYDTNSGVUEJF-UHFFFAOYSA-N 1 2 315.380 3.205 20 5 DGBDLO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)Cc1cnccn1 ZINC001232221558 1097972868 /nfs/dbraw/zinc/97/28/68/1097972868.db2.gz AQCYDTNSGVUEJF-UHFFFAOYSA-N 1 2 315.380 3.205 20 5 DGBDLO C[N@H+](Cc1ccncn1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232227680 1097974468 /nfs/dbraw/zinc/97/44/68/1097974468.db2.gz LGBBSEGFOHXDQC-UHFFFAOYSA-N 1 2 315.380 3.205 20 5 DGBDLO C[N@@H+](Cc1ccncn1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232227680 1097974471 /nfs/dbraw/zinc/97/44/71/1097974471.db2.gz LGBBSEGFOHXDQC-UHFFFAOYSA-N 1 2 315.380 3.205 20 5 DGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)c1ccccc1F ZINC001193743546 1100796652 /nfs/dbraw/zinc/79/66/52/1100796652.db2.gz PVQAVZOGEMRPGY-UHFFFAOYSA-N 1 2 316.332 3.091 20 5 DGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)c1ccccc1F ZINC001193743546 1100796657 /nfs/dbraw/zinc/79/66/57/1100796657.db2.gz PVQAVZOGEMRPGY-UHFFFAOYSA-N 1 2 316.332 3.091 20 5 DGBDLO CCN(C)c1ccc(Nc2ccc(OC)cc2[N+](=O)[O-])c[nH+]1 ZINC001248470462 1105116811 /nfs/dbraw/zinc/11/68/11/1105116811.db2.gz JUHZNDXMQWEJAQ-UHFFFAOYSA-N 1 2 302.334 3.198 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccc(F)cc1F)C2 ZINC001325156086 1108584063 /nfs/dbraw/zinc/58/40/63/1108584063.db2.gz AKZLTOIEHITBAG-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccc(F)cc1F)C2 ZINC001325156086 1108584078 /nfs/dbraw/zinc/58/40/78/1108584078.db2.gz AKZLTOIEHITBAG-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO COc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000319403136 231183733 /nfs/dbraw/zinc/18/37/33/231183733.db2.gz ZRHMDIMFDWDPMH-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000319403136 231183737 /nfs/dbraw/zinc/18/37/37/231183737.db2.gz ZRHMDIMFDWDPMH-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)c1ccccc1 ZINC000272778406 210183271 /nfs/dbraw/zinc/18/32/71/210183271.db2.gz GWVNWCPOEWDQNH-MRXNPFEDSA-N 1 2 320.776 3.414 20 5 DGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)c1ccccc1 ZINC000272778406 210183273 /nfs/dbraw/zinc/18/32/73/210183273.db2.gz GWVNWCPOEWDQNH-MRXNPFEDSA-N 1 2 320.776 3.414 20 5 DGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432136689 530015513 /nfs/dbraw/zinc/01/55/13/530015513.db2.gz QMZMZGGIIGPBLJ-UHFFFAOYSA-N 1 2 320.780 3.417 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000181822098 199357899 /nfs/dbraw/zinc/35/78/99/199357899.db2.gz TXLNBFNVBWUVGH-SNVBAGLBSA-N 1 2 302.334 3.014 20 5 DGBDLO C[C@H]1CSCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179206088 432049553 /nfs/dbraw/zinc/04/95/53/432049553.db2.gz XALXWQJLRZAGGR-NSHDSACASA-N 1 2 319.386 3.187 20 5 DGBDLO C[C@H]1CSCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179206088 432049554 /nfs/dbraw/zinc/04/95/54/432049554.db2.gz XALXWQJLRZAGGR-NSHDSACASA-N 1 2 319.386 3.187 20 5 DGBDLO COc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000179240877 432051870 /nfs/dbraw/zinc/05/18/70/432051870.db2.gz KRRVGLZFRFHOHU-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000179240877 432051871 /nfs/dbraw/zinc/05/18/71/432051871.db2.gz KRRVGLZFRFHOHU-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO CCOc1cc(C[N@H+](C)Cc2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000276916161 213174276 /nfs/dbraw/zinc/17/42/76/213174276.db2.gz OGPQCJLQNVOINN-UHFFFAOYSA-N 1 2 321.402 3.390 20 5 DGBDLO CCOc1cc(C[N@@H+](C)Cc2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000276916161 213174279 /nfs/dbraw/zinc/17/42/79/213174279.db2.gz OGPQCJLQNVOINN-UHFFFAOYSA-N 1 2 321.402 3.390 20 5 DGBDLO Cc1ccoc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000292363706 223023814 /nfs/dbraw/zinc/02/38/14/223023814.db2.gz QNXFSNJEDOAULW-UHFFFAOYSA-N 1 2 301.302 3.269 20 5 DGBDLO Cc1ccoc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000292363706 223023816 /nfs/dbraw/zinc/02/38/16/223023816.db2.gz QNXFSNJEDOAULW-UHFFFAOYSA-N 1 2 301.302 3.269 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccnc1 ZINC000179518967 199049310 /nfs/dbraw/zinc/04/93/10/199049310.db2.gz MRDNBOZFEJAXCK-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccnc1 ZINC000179518967 199049313 /nfs/dbraw/zinc/04/93/13/199049313.db2.gz MRDNBOZFEJAXCK-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000430217596 238071383 /nfs/dbraw/zinc/07/13/83/238071383.db2.gz JVNZAIQWRHIXNH-GFCCVEGCSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000430217596 238071385 /nfs/dbraw/zinc/07/13/85/238071385.db2.gz JVNZAIQWRHIXNH-GFCCVEGCSA-N 1 2 301.346 3.191 20 5 DGBDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000449570486 240296811 /nfs/dbraw/zinc/29/68/11/240296811.db2.gz JUEYJUMUNBCNHJ-TVQRCGJNSA-N 1 2 306.753 3.240 20 5 DGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000452351004 241392760 /nfs/dbraw/zinc/39/27/60/241392760.db2.gz YRNZQAUTULLZLV-UHFFFAOYSA-N 1 2 320.736 3.033 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc(C3CC3)nc2)C2CC2)c1 ZINC000459289124 243318000 /nfs/dbraw/zinc/31/80/00/243318000.db2.gz AUKUNEVXFFBJKQ-UHFFFAOYSA-N 1 2 324.384 3.427 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc(C3CC3)nc2)C2CC2)c1 ZINC000459289124 243318005 /nfs/dbraw/zinc/31/80/05/243318005.db2.gz AUKUNEVXFFBJKQ-UHFFFAOYSA-N 1 2 324.384 3.427 20 5 DGBDLO COc1cc[nH+]cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094073692 193343302 /nfs/dbraw/zinc/34/33/02/193343302.db2.gz VUSONLWJHCPTRM-UHFFFAOYSA-N 1 2 315.329 3.176 20 5 DGBDLO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1C ZINC000487368483 245054773 /nfs/dbraw/zinc/05/47/73/245054773.db2.gz RYILTTUCIYGWAI-UHFFFAOYSA-N 1 2 302.378 3.047 20 5 DGBDLO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1C ZINC000487368483 245054777 /nfs/dbraw/zinc/05/47/77/245054777.db2.gz RYILTTUCIYGWAI-UHFFFAOYSA-N 1 2 302.378 3.047 20 5 DGBDLO COc1cc(NCCCNc2cccc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000271681302 209120911 /nfs/dbraw/zinc/12/09/11/209120911.db2.gz ZEMQORDAYZIZLB-UHFFFAOYSA-N 1 2 320.324 3.052 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](CO)c1ccsc1 ZINC000494654559 246176792 /nfs/dbraw/zinc/17/67/92/246176792.db2.gz NUYOVYICQHXPKH-GFCCVEGCSA-N 1 2 312.778 3.133 20 5 DGBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000267620170 206178945 /nfs/dbraw/zinc/17/89/45/206178945.db2.gz KUILCNIZIZDDMU-JTQLQIEISA-N 1 2 307.375 3.049 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ncc([N+](=O)[O-])s1 ZINC000190304151 432142574 /nfs/dbraw/zinc/14/25/74/432142574.db2.gz KGSXTTPWCSSTQI-UHFFFAOYSA-N 1 2 317.374 3.212 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC000285260979 218356758 /nfs/dbraw/zinc/35/67/58/218356758.db2.gz IYJHTXPRYRUDKD-GJZGRUSLSA-N 1 2 312.316 3.016 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC000285260979 218356759 /nfs/dbraw/zinc/35/67/59/218356759.db2.gz IYJHTXPRYRUDKD-GJZGRUSLSA-N 1 2 312.316 3.016 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000119987357 195075528 /nfs/dbraw/zinc/07/55/28/195075528.db2.gz CEOSADPUUVYOJE-UHFFFAOYSA-N 1 2 323.780 3.227 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000119987357 195075529 /nfs/dbraw/zinc/07/55/29/195075529.db2.gz CEOSADPUUVYOJE-UHFFFAOYSA-N 1 2 323.780 3.227 20 5 DGBDLO CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000296751669 252874811 /nfs/dbraw/zinc/87/48/11/252874811.db2.gz PTOCFHKPBKENRZ-GFCCVEGCSA-N 1 2 322.752 3.098 20 5 DGBDLO Cc1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000120199146 195117074 /nfs/dbraw/zinc/11/70/74/195117074.db2.gz JMHVUPUTWBCVCG-UHFFFAOYSA-N 1 2 314.345 3.355 20 5 DGBDLO Cc1cccn2cc(CNc3c(F)cccc3[N+](=O)[O-])[nH+]c12 ZINC000342557576 254007095 /nfs/dbraw/zinc/00/70/95/254007095.db2.gz OOBDXORCBLWSFC-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)c(NCCn2cc[nH+]c2)c(Cl)c1 ZINC000120599112 195199055 /nfs/dbraw/zinc/19/90/55/195199055.db2.gz CYUYXXGLONQLSC-UHFFFAOYSA-N 1 2 301.133 3.210 20 5 DGBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000271576166 209026812 /nfs/dbraw/zinc/02/68/12/209026812.db2.gz CSOKSIBKPJNOGC-SECBINFHSA-N 1 2 314.267 3.311 20 5 DGBDLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000271578189 209029477 /nfs/dbraw/zinc/02/94/77/209029477.db2.gz WPSCGIUKTBQDDQ-MNOVXSKESA-N 1 2 303.366 3.248 20 5 DGBDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000289808601 221241893 /nfs/dbraw/zinc/24/18/93/221241893.db2.gz NJPQROSJCHBJDB-CQSZACIVSA-N 1 2 316.361 3.322 20 5 DGBDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000289808601 221241896 /nfs/dbraw/zinc/24/18/96/221241896.db2.gz NJPQROSJCHBJDB-CQSZACIVSA-N 1 2 316.361 3.322 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cs1 ZINC000066436359 400089726 /nfs/dbraw/zinc/08/97/26/400089726.db2.gz MIDPLTZYPLBPFB-AWEZNQCLSA-N 1 2 322.386 3.431 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cs1 ZINC000066436359 400089730 /nfs/dbraw/zinc/08/97/30/400089730.db2.gz MIDPLTZYPLBPFB-AWEZNQCLSA-N 1 2 322.386 3.431 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(C)cn1 ZINC000616152156 400091154 /nfs/dbraw/zinc/09/11/54/400091154.db2.gz ZSNZGPRSDSGYFY-UHFFFAOYSA-N 1 2 315.373 3.329 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(C)cn1 ZINC000616152156 400091158 /nfs/dbraw/zinc/09/11/58/400091158.db2.gz ZSNZGPRSDSGYFY-UHFFFAOYSA-N 1 2 315.373 3.329 20 5 DGBDLO Cc1noc(C[N@H+](C)CCCOc2ccccc2C)c1[N+](=O)[O-] ZINC000595292852 400118405 /nfs/dbraw/zinc/11/84/05/400118405.db2.gz CUYXRYRXCYFRSG-UHFFFAOYSA-N 1 2 319.361 3.101 20 5 DGBDLO Cc1noc(C[N@@H+](C)CCCOc2ccccc2C)c1[N+](=O)[O-] ZINC000595292852 400118409 /nfs/dbraw/zinc/11/84/09/400118409.db2.gz CUYXRYRXCYFRSG-UHFFFAOYSA-N 1 2 319.361 3.101 20 5 DGBDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595291838 400118813 /nfs/dbraw/zinc/11/88/13/400118813.db2.gz VITGDOFFVQKQMT-LLVKDONJSA-N 1 2 307.375 3.462 20 5 DGBDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595291838 400118816 /nfs/dbraw/zinc/11/88/16/400118816.db2.gz VITGDOFFVQKQMT-LLVKDONJSA-N 1 2 307.375 3.462 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000007846856 400110690 /nfs/dbraw/zinc/11/06/90/400110690.db2.gz ZQNCOXABSROQFK-UHFFFAOYSA-N 1 2 319.386 3.035 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000007846856 400110696 /nfs/dbraw/zinc/11/06/96/400110696.db2.gz ZQNCOXABSROQFK-UHFFFAOYSA-N 1 2 319.386 3.035 20 5 DGBDLO CCc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)on1 ZINC000595025216 400080640 /nfs/dbraw/zinc/08/06/40/400080640.db2.gz JQMBUHUAORNAPH-SNVBAGLBSA-N 1 2 305.334 3.005 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1NCC[NH+]1Cc2ccccc2C1 ZINC000587543445 400174229 /nfs/dbraw/zinc/17/42/29/400174229.db2.gz QEDSIEUDNXLBDE-UHFFFAOYSA-N 1 2 301.321 3.162 20 5 DGBDLO CN(C)c1ccc(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c[nH+]1 ZINC000092584782 400185045 /nfs/dbraw/zinc/18/50/45/400185045.db2.gz VHBSADTXXWCXFN-UHFFFAOYSA-N 1 2 324.287 3.401 20 5 DGBDLO Cc1noc(C[N@H+](Cc2cccc(F)c2)C(C)C)c1[N+](=O)[O-] ZINC000595295215 400120414 /nfs/dbraw/zinc/12/04/14/400120414.db2.gz ILPAOHMUEVZHIZ-UHFFFAOYSA-N 1 2 307.325 3.441 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2cccc(F)c2)C(C)C)c1[N+](=O)[O-] ZINC000595295215 400120417 /nfs/dbraw/zinc/12/04/17/400120417.db2.gz ILPAOHMUEVZHIZ-UHFFFAOYSA-N 1 2 307.325 3.441 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000008308880 400123791 /nfs/dbraw/zinc/12/37/91/400123791.db2.gz LOYKLKANNKANFP-UHFFFAOYSA-N 1 2 301.350 3.062 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1OCc1cn2cccc(C)c2[nH+]1 ZINC000011296516 400141832 /nfs/dbraw/zinc/14/18/32/400141832.db2.gz PFFSCHLOWXCEPD-UHFFFAOYSA-N 1 2 313.313 3.139 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595412460 400142941 /nfs/dbraw/zinc/14/29/41/400142941.db2.gz ZXAIAZJZGSWVEM-SNVBAGLBSA-N 1 2 305.334 3.141 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c2ncccc12 ZINC000610276250 400231782 /nfs/dbraw/zinc/23/17/82/400231782.db2.gz FXJXMUQTGONYSH-ZDUSSCGKSA-N 1 2 323.356 3.181 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702737 400234294 /nfs/dbraw/zinc/23/42/94/400234294.db2.gz JNHQBFQDUXRQAF-HNNXBMFYSA-N 1 2 302.305 3.387 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702737 400234296 /nfs/dbraw/zinc/23/42/96/400234296.db2.gz JNHQBFQDUXRQAF-HNNXBMFYSA-N 1 2 302.305 3.387 20 5 DGBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000093444929 400246480 /nfs/dbraw/zinc/24/64/80/400246480.db2.gz BGEKRYYAXRWPPW-QGZVFWFLSA-N 1 2 313.357 3.341 20 5 DGBDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000093444929 400246484 /nfs/dbraw/zinc/24/64/84/400246484.db2.gz BGEKRYYAXRWPPW-QGZVFWFLSA-N 1 2 313.357 3.341 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](CCF)C2)c(F)c1 ZINC000595757065 400250817 /nfs/dbraw/zinc/25/08/17/400250817.db2.gz YMVNCLABUSZURB-JTQLQIEISA-N 1 2 302.296 3.445 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](CCF)C2)c(F)c1 ZINC000595757065 400250822 /nfs/dbraw/zinc/25/08/22/400250822.db2.gz YMVNCLABUSZURB-JTQLQIEISA-N 1 2 302.296 3.445 20 5 DGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000595760683 400252868 /nfs/dbraw/zinc/25/28/68/400252868.db2.gz VJJVCQYOOGEERM-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc2c(c1)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000595760683 400252871 /nfs/dbraw/zinc/25/28/71/400252871.db2.gz VJJVCQYOOGEERM-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO CCOc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000610515241 400268999 /nfs/dbraw/zinc/26/89/99/400268999.db2.gz MBAYJACJRFZBBH-AWEZNQCLSA-N 1 2 316.361 3.032 20 5 DGBDLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000595868682 400284155 /nfs/dbraw/zinc/28/41/55/400284155.db2.gz XXWIXPHZHRTDQE-QLJPJBMISA-N 1 2 322.311 3.257 20 5 DGBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000610729632 400297711 /nfs/dbraw/zinc/29/77/11/400297711.db2.gz WVYVZTHJOSLPAZ-MRXNPFEDSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000610729632 400297714 /nfs/dbraw/zinc/29/77/14/400297714.db2.gz WVYVZTHJOSLPAZ-MRXNPFEDSA-N 1 2 318.352 3.113 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000029584752 400310995 /nfs/dbraw/zinc/31/09/95/400310995.db2.gz XLLBDVKZESKNRU-UHFFFAOYSA-N 1 2 300.293 3.036 20 5 DGBDLO Cc1cccn2cc(CCNc3ccsc3[N+](=O)[O-])[nH+]c12 ZINC000610468810 400261236 /nfs/dbraw/zinc/26/12/36/400261236.db2.gz DELIBOJWWQROSL-UHFFFAOYSA-N 1 2 302.359 3.267 20 5 DGBDLO CCOc1cc(C[N@@H+]2CC(C)(C)OCC2(C)C)ccc1[N+](=O)[O-] ZINC000617201107 400328468 /nfs/dbraw/zinc/32/84/68/400328468.db2.gz KFUHIXAJFNOGOJ-UHFFFAOYSA-N 1 2 322.405 3.383 20 5 DGBDLO CCOc1cc(C[N@H+]2CC(C)(C)OCC2(C)C)ccc1[N+](=O)[O-] ZINC000617201107 400328470 /nfs/dbraw/zinc/32/84/70/400328470.db2.gz KFUHIXAJFNOGOJ-UHFFFAOYSA-N 1 2 322.405 3.383 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCCC2)s1 ZINC000596358085 400390984 /nfs/dbraw/zinc/39/09/84/400390984.db2.gz SHMLPZXXMBXBID-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DGBDLO CCC[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032250694 400361974 /nfs/dbraw/zinc/36/19/74/400361974.db2.gz VDHRLXPKNZCNRJ-LBPRGKRZSA-N 1 2 316.361 3.041 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCc4c[nH]nc4C3)o2)cc1 ZINC000611273658 400370722 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CC[N@@H+](Cc1ccoc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618279341 400558123 /nfs/dbraw/zinc/55/81/23/400558123.db2.gz YESSCKQVQQQBLR-UHFFFAOYSA-N 1 2 300.318 3.086 20 5 DGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000047514812 400620056 /nfs/dbraw/zinc/62/00/56/400620056.db2.gz GZROYAOLXAGIIZ-UHFFFAOYSA-N 1 2 308.297 3.033 20 5 DGBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592186816 400620696 /nfs/dbraw/zinc/62/06/96/400620696.db2.gz GMQYHWRHOAXGNT-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592186816 400620700 /nfs/dbraw/zinc/62/07/00/400620700.db2.gz GMQYHWRHOAXGNT-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccc(F)c1 ZINC000052689504 400744654 /nfs/dbraw/zinc/74/46/54/400744654.db2.gz BPHCBAZSURGUEG-UHFFFAOYSA-N 1 2 314.320 3.242 20 5 DGBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccc(F)c1 ZINC000052689504 400744660 /nfs/dbraw/zinc/74/46/60/400744660.db2.gz BPHCBAZSURGUEG-UHFFFAOYSA-N 1 2 314.320 3.242 20 5 DGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000604484746 400780257 /nfs/dbraw/zinc/78/02/57/400780257.db2.gz QMCNALYXXUQYOE-UHFFFAOYSA-N 1 2 322.324 3.166 20 5 DGBDLO C[C@H]1CCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619152552 400782592 /nfs/dbraw/zinc/78/25/92/400782592.db2.gz RMBSDEPYQFDWMR-DZGCQCFKSA-N 1 2 319.405 3.028 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000054389831 400823220 /nfs/dbraw/zinc/82/32/20/400823220.db2.gz OBKBOLFPTVEULM-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DGBDLO CCOC[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599045095 400937214 /nfs/dbraw/zinc/93/72/14/400937214.db2.gz USJUTJZDOSJDAT-CYBMUJFWSA-N 1 2 315.373 3.396 20 5 DGBDLO CN(CCOCC1CC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599059326 400942937 /nfs/dbraw/zinc/94/29/37/400942937.db2.gz AHZLIVRAMMZRIM-UHFFFAOYSA-N 1 2 301.346 3.006 20 5 DGBDLO O=[N+]([O-])c1c(NCc2noc(C3CC3)n2)ccc2c[nH+]ccc21 ZINC000599063467 400945152 /nfs/dbraw/zinc/94/51/52/400945152.db2.gz BZLURUNEBIVQGN-UHFFFAOYSA-N 1 2 311.301 3.016 20 5 DGBDLO CO[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599067087 400946014 /nfs/dbraw/zinc/94/60/14/400946014.db2.gz XZRQPUBDUOKIDT-CYBMUJFWSA-N 1 2 301.346 3.148 20 5 DGBDLO COC[C@@H]1CCCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599067184 400946198 /nfs/dbraw/zinc/94/61/98/400946198.db2.gz CZBHSVCNJGEYMH-CYBMUJFWSA-N 1 2 315.373 3.396 20 5 DGBDLO C[C@@H]1C[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599065783 400946786 /nfs/dbraw/zinc/94/67/86/400946786.db2.gz QXTYGVSSPFWLLZ-NEPJUHHUSA-N 1 2 301.346 3.370 20 5 DGBDLO CC[C@]1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599069069 400948003 /nfs/dbraw/zinc/94/80/03/400948003.db2.gz SVLAHLVEKDCLHX-MRXNPFEDSA-N 1 2 301.346 3.148 20 5 DGBDLO C[C@@H]1C[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@H](C)O1 ZINC000599086660 400955739 /nfs/dbraw/zinc/95/57/39/400955739.db2.gz RMNGEVSOTGERHE-NTZNESFSSA-N 1 2 301.346 3.368 20 5 DGBDLO CO[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[C@@H]1C ZINC000599074241 400952357 /nfs/dbraw/zinc/95/23/57/400952357.db2.gz VFSBHDPHIIDZBZ-NHYWBVRUSA-N 1 2 301.346 3.004 20 5 DGBDLO CO[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1C ZINC000599082453 400953842 /nfs/dbraw/zinc/95/38/42/400953842.db2.gz CHLPHNSJPDRHJM-ABAIWWIYSA-N 1 2 301.346 3.004 20 5 DGBDLO CC1(C)OCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599110630 400963245 /nfs/dbraw/zinc/96/32/45/400963245.db2.gz DGSCYUCTCRTRBD-GFCCVEGCSA-N 1 2 301.346 3.370 20 5 DGBDLO Cc1cc(N[C@H](c2[nH+]ccn2C)c2ccccc2)ncc1[N+](=O)[O-] ZINC000080597099 400966235 /nfs/dbraw/zinc/96/62/35/400966235.db2.gz BZZXGGPULYACQF-INIZCTEOSA-N 1 2 323.356 3.233 20 5 DGBDLO CCOCCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057825073 401028547 /nfs/dbraw/zinc/02/85/47/401028547.db2.gz VGNDMSXJLODZBC-UHFFFAOYSA-N 1 2 316.361 3.199 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccc1F ZINC000058016103 401038908 /nfs/dbraw/zinc/03/89/08/401038908.db2.gz FGAGIMGLMWWENN-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccccc1F ZINC000058016103 401038916 /nfs/dbraw/zinc/03/89/16/401038916.db2.gz FGAGIMGLMWWENN-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)nc2c1 ZINC000083168746 401112996 /nfs/dbraw/zinc/11/29/96/401112996.db2.gz VVAPXIZXJVWQDF-AWEZNQCLSA-N 1 2 312.329 3.401 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)nc2c1 ZINC000083168746 401112999 /nfs/dbraw/zinc/11/29/99/401112999.db2.gz VVAPXIZXJVWQDF-AWEZNQCLSA-N 1 2 312.329 3.401 20 5 DGBDLO Cc1cc(N(C)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060862131 401136939 /nfs/dbraw/zinc/13/69/39/401136939.db2.gz NQEGAJXCLJGLAQ-UHFFFAOYSA-N 1 2 300.362 3.452 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000595022169 401235554 /nfs/dbraw/zinc/23/55/54/401235554.db2.gz KATMVPBXTNFHPH-HZMBPMFUSA-N 1 2 316.361 3.055 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000595022169 401235564 /nfs/dbraw/zinc/23/55/64/401235564.db2.gz KATMVPBXTNFHPH-HZMBPMFUSA-N 1 2 316.361 3.055 20 5 DGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2cc[nH+]c2)cc1OC ZINC000358920565 286187541 /nfs/dbraw/zinc/18/75/41/286187541.db2.gz AZUHSNCDQVEAKY-GFCCVEGCSA-N 1 2 319.361 3.273 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOc3c(F)ccc(F)c32)cc1 ZINC000361226357 286627930 /nfs/dbraw/zinc/62/79/30/286627930.db2.gz BAGJKIVOUWMKHF-AWEZNQCLSA-N 1 2 320.295 3.486 20 5 DGBDLO Cc1cc[nH+]c(C)c1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000362399197 286812677 /nfs/dbraw/zinc/81/26/77/286812677.db2.gz YXCFSFMBEINNMJ-UHFFFAOYSA-N 1 2 314.345 3.047 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cs1 ZINC000364642079 287047942 /nfs/dbraw/zinc/04/79/42/287047942.db2.gz ZRKCNYDAHZCLRQ-GFCCVEGCSA-N 1 2 308.334 3.409 20 5 DGBDLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)c1ccccc1[N+](=O)[O-] ZINC000266773200 287052980 /nfs/dbraw/zinc/05/29/80/287052980.db2.gz BFPJXOYCYPNTEX-NEPJUHHUSA-N 1 2 311.345 3.049 20 5 DGBDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130785359 196110111 /nfs/dbraw/zinc/11/01/11/196110111.db2.gz AHQBRJIGZHGKNR-GFCCVEGCSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130785359 196110112 /nfs/dbraw/zinc/11/01/12/196110112.db2.gz AHQBRJIGZHGKNR-GFCCVEGCSA-N 1 2 302.330 3.076 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCc4ccsc4C3)nc2c1 ZINC000132536646 196264066 /nfs/dbraw/zinc/26/40/66/196264066.db2.gz SSZVCZORCXXTRF-UHFFFAOYSA-N 1 2 315.354 3.356 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCc4ccsc4C3)nc2c1 ZINC000132536646 196264068 /nfs/dbraw/zinc/26/40/68/196264068.db2.gz SSZVCZORCXXTRF-UHFFFAOYSA-N 1 2 315.354 3.356 20 5 DGBDLO CCc1nc(C)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000291660822 222537555 /nfs/dbraw/zinc/53/75/55/222537555.db2.gz BMWASELOTULLAM-UHFFFAOYSA-N 1 2 309.753 3.397 20 5 DGBDLO COC[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413138918 230137794 /nfs/dbraw/zinc/13/77/94/230137794.db2.gz NGJFPADLPWHSRV-GFCCVEGCSA-N 1 2 301.346 3.006 20 5 DGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347360564 264205913 /nfs/dbraw/zinc/20/59/13/264205913.db2.gz VDBQCQWUEHQSJF-BONVTDFDSA-N 1 2 320.324 3.140 20 5 DGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](C)(F)C1 ZINC000347360564 264205915 /nfs/dbraw/zinc/20/59/15/264205915.db2.gz VDBQCQWUEHQSJF-BONVTDFDSA-N 1 2 320.324 3.140 20 5 DGBDLO C[C@@H](c1ccccc1)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000352825356 265183215 /nfs/dbraw/zinc/18/32/15/265183215.db2.gz PJTUOKZGXHYRRH-LBPRGKRZSA-N 1 2 300.362 3.054 20 5 DGBDLO C[C@@H](c1ccccc1)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000352825356 265183219 /nfs/dbraw/zinc/18/32/19/265183219.db2.gz PJTUOKZGXHYRRH-LBPRGKRZSA-N 1 2 300.362 3.054 20 5 DGBDLO Cc1c(C[NH2+]Cc2c(F)ccc(O)c2F)cccc1[N+](=O)[O-] ZINC000353171001 265327480 /nfs/dbraw/zinc/32/74/80/265327480.db2.gz RLUIFARQXWVARI-UHFFFAOYSA-N 1 2 308.284 3.177 20 5 DGBDLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355654125 266143578 /nfs/dbraw/zinc/14/35/78/266143578.db2.gz FSXSTWAOYYFGPS-NSHDSACASA-N 1 2 314.345 3.268 20 5 DGBDLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355654125 266143582 /nfs/dbraw/zinc/14/35/82/266143582.db2.gz FSXSTWAOYYFGPS-NSHDSACASA-N 1 2 314.345 3.268 20 5 DGBDLO Cc1ccc(Cc2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC000356155001 266301664 /nfs/dbraw/zinc/30/16/64/266301664.db2.gz VCSPXOIQUZDPMP-TWGQIWQCSA-N 1 2 322.324 3.442 20 5 DGBDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000106369966 278075521 /nfs/dbraw/zinc/07/55/21/278075521.db2.gz QIAIXXBPXQBAHC-UHFFFAOYSA-N 1 2 314.389 3.010 20 5 DGBDLO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC000117800976 431580546 /nfs/dbraw/zinc/58/05/46/431580546.db2.gz ACWVBUQIMXQXED-UHFFFAOYSA-N 1 2 305.721 3.133 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000122095760 431811591 /nfs/dbraw/zinc/81/15/91/431811591.db2.gz WHLUFVDJDFCJBL-UHFFFAOYSA-N 1 2 314.345 3.355 20 5 DGBDLO O=[N+]([O-])c1cccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000089506567 431869240 /nfs/dbraw/zinc/86/92/40/431869240.db2.gz NWXHSWMIVCGNLW-UHFFFAOYSA-N 1 2 322.246 3.407 20 5 DGBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000047406566 431910202 /nfs/dbraw/zinc/91/02/02/431910202.db2.gz AIZLEOJTFTVJIT-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000047406566 431910204 /nfs/dbraw/zinc/91/02/04/431910204.db2.gz AIZLEOJTFTVJIT-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO Cc1cccc2[nH+]c(CN(C)Cc3ccccc3[N+](=O)[O-])cn21 ZINC000051383357 431951107 /nfs/dbraw/zinc/95/11/07/431951107.db2.gz SZZPKNWGLLNBCG-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO CC(C)N(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000192639136 432395299 /nfs/dbraw/zinc/39/52/99/432395299.db2.gz ABMWVELHCYBJAT-CQSZACIVSA-N 1 2 321.421 3.061 20 5 DGBDLO CC(C)N(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000192639136 432395301 /nfs/dbraw/zinc/39/53/01/432395301.db2.gz ABMWVELHCYBJAT-CQSZACIVSA-N 1 2 321.421 3.061 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(F)c1 ZINC000153952933 432459801 /nfs/dbraw/zinc/45/98/01/432459801.db2.gz XJSSPCKABRROMS-INIZCTEOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c(F)c1 ZINC000153952933 432459805 /nfs/dbraw/zinc/45/98/05/432459805.db2.gz XJSSPCKABRROMS-INIZCTEOSA-N 1 2 301.321 3.466 20 5 DGBDLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000192763973 432410344 /nfs/dbraw/zinc/41/03/44/432410344.db2.gz KYHMNSQHSGERLV-RYUDHWBXSA-N 1 2 316.361 3.119 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000192832904 432418734 /nfs/dbraw/zinc/41/87/34/432418734.db2.gz VCQUEBFQUMCTTP-UHFFFAOYSA-N 1 2 319.267 3.280 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCOCC3)o2)c(Cl)c1 ZINC000154517117 432504116 /nfs/dbraw/zinc/50/41/16/432504116.db2.gz NPWUPOUJFZSVLR-UHFFFAOYSA-N 1 2 322.748 3.340 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000274215117 432639910 /nfs/dbraw/zinc/63/99/10/432639910.db2.gz NLPPVLJXFNMQDU-VHSXEESVSA-N 1 2 306.391 3.475 20 5 DGBDLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000266811771 432789861 /nfs/dbraw/zinc/78/98/61/432789861.db2.gz WDNKJOXOWJHKMI-BONVTDFDSA-N 1 2 322.311 3.257 20 5 DGBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000277454772 432851699 /nfs/dbraw/zinc/85/16/99/432851699.db2.gz PRRMCOWILVSEGO-QWRGUYRKSA-N 1 2 303.366 3.077 20 5 DGBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296925896 432939681 /nfs/dbraw/zinc/93/96/81/432939681.db2.gz AWJNOFKWZVAWOM-UHFFFAOYSA-N 1 2 309.366 3.033 20 5 DGBDLO CC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413133321 433259758 /nfs/dbraw/zinc/25/97/58/433259758.db2.gz CBGQHARECDRDIF-SMDDNHRTSA-N 1 2 301.346 3.147 20 5 DGBDLO Cc1cc(C)c(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000454139362 433290287 /nfs/dbraw/zinc/29/02/87/433290287.db2.gz DRLRGJKWMOSNLQ-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000454147778 433292186 /nfs/dbraw/zinc/29/21/86/433292186.db2.gz OFVQKDAHXSHMEG-LLVKDONJSA-N 1 2 317.349 3.002 20 5 DGBDLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000425595504 433313296 /nfs/dbraw/zinc/31/32/96/433313296.db2.gz ICQOLKONYVJNGY-LSDHHAIUSA-N 1 2 311.341 3.349 20 5 DGBDLO COCC[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301141258 433429592 /nfs/dbraw/zinc/42/95/92/433429592.db2.gz ICRVLODNEZHMRE-LLVKDONJSA-N 1 2 316.361 3.197 20 5 DGBDLO COCC[N@H+](Cc1cncs1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000448373547 433402053 /nfs/dbraw/zinc/40/20/53/433402053.db2.gz QXWFBFHCEFTVTB-UHFFFAOYSA-N 1 2 321.402 3.008 20 5 DGBDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000448373547 433402065 /nfs/dbraw/zinc/40/20/65/433402065.db2.gz QXWFBFHCEFTVTB-UHFFFAOYSA-N 1 2 321.402 3.008 20 5 DGBDLO CCc1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000414375117 433582480 /nfs/dbraw/zinc/58/24/80/433582480.db2.gz XTLUVODBKOFSIA-UHFFFAOYSA-N 1 2 312.373 3.112 20 5 DGBDLO CCc1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000414375117 433582489 /nfs/dbraw/zinc/58/24/89/433582489.db2.gz XTLUVODBKOFSIA-UHFFFAOYSA-N 1 2 312.373 3.112 20 5 DGBDLO CCc1noc(C)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293110906 433619351 /nfs/dbraw/zinc/61/93/51/433619351.db2.gz YNKOFSCSWKTNRU-UHFFFAOYSA-N 1 2 309.753 3.397 20 5 DGBDLO COc1cc(F)cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449011614 433660282 /nfs/dbraw/zinc/66/02/82/433660282.db2.gz RWEUYVNKQPPTQP-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1cc(F)cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449011614 433660292 /nfs/dbraw/zinc/66/02/92/433660292.db2.gz RWEUYVNKQPPTQP-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370054934 293152583 /nfs/dbraw/zinc/15/25/83/293152583.db2.gz FVHXONGUIMZEPL-AAEUAGOBSA-N 1 2 318.377 3.203 20 5 DGBDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370054934 293152584 /nfs/dbraw/zinc/15/25/84/293152584.db2.gz FVHXONGUIMZEPL-AAEUAGOBSA-N 1 2 318.377 3.203 20 5 DGBDLO Cc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000449332390 433739941 /nfs/dbraw/zinc/73/99/41/433739941.db2.gz DBSXTVCLBRHRJC-UHFFFAOYSA-N 1 2 304.371 3.359 20 5 DGBDLO Cc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000449332390 433739950 /nfs/dbraw/zinc/73/99/50/433739950.db2.gz DBSXTVCLBRHRJC-UHFFFAOYSA-N 1 2 304.371 3.359 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429530607 433782792 /nfs/dbraw/zinc/78/27/92/433782792.db2.gz QGGMBGNBARZHOT-ZDUSSCGKSA-N 1 2 314.389 3.321 20 5 DGBDLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000283890420 433792507 /nfs/dbraw/zinc/79/25/07/433792507.db2.gz BBLOPDPUMSRDQJ-SECBINFHSA-N 1 2 322.346 3.119 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c(F)c1 ZINC000351943048 433805529 /nfs/dbraw/zinc/80/55/29/433805529.db2.gz DBSFVAPBCBGVHS-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3cc(F)ccc3C2)c(F)c1 ZINC000351943048 433805537 /nfs/dbraw/zinc/80/55/37/433805537.db2.gz DBSFVAPBCBGVHS-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1(F)F ZINC000352028377 433875383 /nfs/dbraw/zinc/87/53/83/433875383.db2.gz PYHXVDJLGWCARD-VIFPVBQESA-N 1 2 311.288 3.213 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1(F)F ZINC000352028377 433875389 /nfs/dbraw/zinc/87/53/89/433875389.db2.gz PYHXVDJLGWCARD-VIFPVBQESA-N 1 2 311.288 3.213 20 5 DGBDLO CCCC[N@H+](CCOC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352011896 433855081 /nfs/dbraw/zinc/85/50/81/433855081.db2.gz CZVHETCXHSYAAG-UHFFFAOYSA-N 1 2 302.321 3.122 20 5 DGBDLO CCCC[N@@H+](CCOC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352011896 433855091 /nfs/dbraw/zinc/85/50/91/433855091.db2.gz CZVHETCXHSYAAG-UHFFFAOYSA-N 1 2 302.321 3.122 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000422106138 433878364 /nfs/dbraw/zinc/87/83/64/433878364.db2.gz WDQOKWPRPBZAND-CQSZACIVSA-N 1 2 316.361 3.062 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000435045098 433872181 /nfs/dbraw/zinc/87/21/81/433872181.db2.gz XETWBBCGGYWUIN-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOc2c(F)cccc2C1 ZINC000435045098 433872186 /nfs/dbraw/zinc/87/21/86/433872186.db2.gz XETWBBCGGYWUIN-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000377943919 434042884 /nfs/dbraw/zinc/04/28/84/434042884.db2.gz IFVUFAKVGNGLDB-CYBMUJFWSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000377943919 434042893 /nfs/dbraw/zinc/04/28/93/434042893.db2.gz IFVUFAKVGNGLDB-CYBMUJFWSA-N 1 2 320.780 3.319 20 5 DGBDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363449709 434060349 /nfs/dbraw/zinc/06/03/49/434060349.db2.gz MOYOTWMKQPNTCP-RISCZKNCSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363449709 434060360 /nfs/dbraw/zinc/06/03/60/434060360.db2.gz MOYOTWMKQPNTCP-RISCZKNCSA-N 1 2 318.352 3.051 20 5 DGBDLO Cc1cc(N[C@H]2CC[C@@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340842885 434386756 /nfs/dbraw/zinc/38/67/56/434386756.db2.gz ABIPKLQOERFCMM-OLZOCXBDSA-N 1 2 316.336 3.085 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000450686976 434339652 /nfs/dbraw/zinc/33/96/52/434339652.db2.gz VBJLYVDYYVGNMQ-SNVBAGLBSA-N 1 2 318.402 3.483 20 5 DGBDLO O=[N+]([O-])c1ccc(OCCSc2[nH+]cc3ccccn32)cc1 ZINC000519103352 294752653 /nfs/dbraw/zinc/75/26/53/294752653.db2.gz DKPLVYRFELOZRQ-UHFFFAOYSA-N 1 2 315.354 3.414 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c(F)c1 ZINC000408145780 434546110 /nfs/dbraw/zinc/54/61/10/434546110.db2.gz VHSOVWBRAIBYLV-UHFFFAOYSA-N 1 2 308.353 3.269 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCCCC3)C2)c(F)c1 ZINC000408145780 434546116 /nfs/dbraw/zinc/54/61/16/434546116.db2.gz VHSOVWBRAIBYLV-UHFFFAOYSA-N 1 2 308.353 3.269 20 5 DGBDLO Cc1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)no1 ZINC000524680567 294982558 /nfs/dbraw/zinc/98/25/58/294982558.db2.gz GEKXIQYKFWWLCS-UHFFFAOYSA-N 1 2 313.313 3.441 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2n1C ZINC000525731163 295029037 /nfs/dbraw/zinc/02/90/37/295029037.db2.gz WJFXDLKLZRVWMT-UHFFFAOYSA-N 1 2 316.342 3.104 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(COc3ccccc3)C2)c(F)c1 ZINC000459631309 434639020 /nfs/dbraw/zinc/63/90/20/434639020.db2.gz KSRZDJNSBOUEDU-UHFFFAOYSA-N 1 2 316.332 3.245 20 5 DGBDLO CCC[C@@H]([NH2+]Cc1nccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000424309671 434687627 /nfs/dbraw/zinc/68/76/27/434687627.db2.gz QWFGFDRZIBTWSH-CQSZACIVSA-N 1 2 316.361 3.024 20 5 DGBDLO CC(C)c1ncc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000440473520 434702716 /nfs/dbraw/zinc/70/27/16/434702716.db2.gz ZLROTGBJMFUODH-UHFFFAOYSA-N 1 2 300.362 3.140 20 5 DGBDLO CC(C)c1ncc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000440473520 434702725 /nfs/dbraw/zinc/70/27/25/434702725.db2.gz ZLROTGBJMFUODH-UHFFFAOYSA-N 1 2 300.362 3.140 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c(Cl)c1 ZINC000371711886 434738053 /nfs/dbraw/zinc/73/80/53/434738053.db2.gz WULIRNBJPCNURP-CYBMUJFWSA-N 1 2 306.753 3.139 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c(Cl)c1 ZINC000371711886 434738056 /nfs/dbraw/zinc/73/80/56/434738056.db2.gz WULIRNBJPCNURP-CYBMUJFWSA-N 1 2 306.753 3.139 20 5 DGBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000521457150 434885947 /nfs/dbraw/zinc/88/59/47/434885947.db2.gz NGPHNKPHYWRBFF-UHFFFAOYSA-N 1 2 316.361 3.041 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOCC12CCCC2 ZINC000491983193 434893475 /nfs/dbraw/zinc/89/34/75/434893475.db2.gz TZOBUJIXUYFSFX-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOCC12CCCC2 ZINC000491983193 434893479 /nfs/dbraw/zinc/89/34/79/434893479.db2.gz TZOBUJIXUYFSFX-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3c(n1)CCC3)CC2 ZINC000578321788 435074949 /nfs/dbraw/zinc/07/49/49/435074949.db2.gz HBPSPPIQDZNBHV-UHFFFAOYSA-N 1 2 309.369 3.037 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3c(n1)CCC3)CC2 ZINC000578321788 435074956 /nfs/dbraw/zinc/07/49/56/435074956.db2.gz HBPSPPIQDZNBHV-UHFFFAOYSA-N 1 2 309.369 3.037 20 5 DGBDLO CCOc1cc(C[NH2+][C@H](C)c2nnc(C)s2)ccc1[N+](=O)[O-] ZINC000492821157 435056020 /nfs/dbraw/zinc/05/60/20/435056020.db2.gz YDEKLPOAZPLGOT-SECBINFHSA-N 1 2 322.390 3.004 20 5 DGBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493235019 435130191 /nfs/dbraw/zinc/13/01/91/435130191.db2.gz HCECIJJUWNLFQN-GFCCVEGCSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493235019 435130194 /nfs/dbraw/zinc/13/01/94/435130194.db2.gz HCECIJJUWNLFQN-GFCCVEGCSA-N 1 2 312.797 3.495 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000494186772 435194625 /nfs/dbraw/zinc/19/46/25/435194625.db2.gz VHIVYORZRSRASV-HUUCEWRRSA-N 1 2 310.781 3.392 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000494186772 435194627 /nfs/dbraw/zinc/19/46/27/435194627.db2.gz VHIVYORZRSRASV-HUUCEWRRSA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC2(CCC2)O1 ZINC000568082781 435390704 /nfs/dbraw/zinc/39/07/04/435390704.db2.gz RONYBUBKEYCHGX-GFCCVEGCSA-N 1 2 313.357 3.291 20 5 DGBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC2(CCC2)O1 ZINC000568082782 435391558 /nfs/dbraw/zinc/39/15/58/435391558.db2.gz RONYBUBKEYCHGX-LBPRGKRZSA-N 1 2 313.357 3.291 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC000537177123 435428193 /nfs/dbraw/zinc/42/81/93/435428193.db2.gz PIZASCHWYXOCQC-SNVBAGLBSA-N 1 2 302.334 3.014 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(F)(F)C(F)F ZINC000483409395 435517563 /nfs/dbraw/zinc/51/75/63/435517563.db2.gz QKOOSRAUYMIHRQ-UITAMQMPSA-N 1 2 306.259 3.488 20 5 DGBDLO Cc1ccc(Cc2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000570603202 435634517 /nfs/dbraw/zinc/63/45/17/435634517.db2.gz PSZKTFKMSIZNKK-GFCCVEGCSA-N 1 2 324.340 3.424 20 5 DGBDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000572518615 435835040 /nfs/dbraw/zinc/83/50/40/435835040.db2.gz YNCAOXLHOUVMLM-NSHDSACASA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000572518615 435835043 /nfs/dbraw/zinc/83/50/43/435835043.db2.gz YNCAOXLHOUVMLM-NSHDSACASA-N 1 2 310.781 3.392 20 5 DGBDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1C ZINC000543576662 314142639 /nfs/dbraw/zinc/14/26/39/314142639.db2.gz IRVGSXIQGCZNRP-UHFFFAOYSA-N 1 2 322.405 3.457 20 5 DGBDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1C ZINC000543576662 314142642 /nfs/dbraw/zinc/14/26/42/314142642.db2.gz IRVGSXIQGCZNRP-UHFFFAOYSA-N 1 2 322.405 3.457 20 5 DGBDLO COc1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000545223229 314235579 /nfs/dbraw/zinc/23/55/79/314235579.db2.gz OHHVSPNSWLAURG-AOOOYVTPSA-N 1 2 314.382 3.068 20 5 DGBDLO COc1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000545223229 314235582 /nfs/dbraw/zinc/23/55/82/314235582.db2.gz OHHVSPNSWLAURG-AOOOYVTPSA-N 1 2 314.382 3.068 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2nc(CNc3c[nH]c[nH+]3)cs2)c1 ZINC000562449883 315020990 /nfs/dbraw/zinc/02/09/90/315020990.db2.gz PQJUAMGMSAIZSN-UHFFFAOYSA-N 1 2 301.331 3.054 20 5 DGBDLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181844445 323271456 /nfs/dbraw/zinc/27/14/56/323271456.db2.gz NVRIALWPDNRQQO-LBPRGKRZSA-N 1 2 317.393 3.064 20 5 DGBDLO Cc1c(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cccc1[N+](=O)[O-] ZINC000185181278 323382997 /nfs/dbraw/zinc/38/29/97/323382997.db2.gz POJQSTAKHWXNHW-NSHDSACASA-N 1 2 318.377 3.435 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000583669748 324381859 /nfs/dbraw/zinc/38/18/59/324381859.db2.gz YETVYGLBIIQVNG-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO CCOc1cc(C[N@H+]2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000583669748 324381864 /nfs/dbraw/zinc/38/18/64/324381864.db2.gz YETVYGLBIIQVNG-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO Cc1cc(C[C@H](C)Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000413202010 533764020 /nfs/dbraw/zinc/76/40/20/533764020.db2.gz ULHRWGHZPSVUFB-JTQLQIEISA-N 1 2 311.345 3.218 20 5 DGBDLO O=[N+]([O-])c1ccc2c(ccnc2N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000295573871 534884517 /nfs/dbraw/zinc/88/45/17/534884517.db2.gz RLPHDPAWGJJIGF-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO CC(C)CO[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413187792 528130129 /nfs/dbraw/zinc/13/01/29/528130129.db2.gz FPVKQUJDNGIXOD-OAHLLOKOSA-N 1 2 315.373 3.394 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000331324922 528264605 /nfs/dbraw/zinc/26/46/05/528264605.db2.gz NYBQJBGQTDMXSP-INIZCTEOSA-N 1 2 322.405 3.240 20 5 DGBDLO CCOc1cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000331324922 528264609 /nfs/dbraw/zinc/26/46/09/528264609.db2.gz NYBQJBGQTDMXSP-INIZCTEOSA-N 1 2 322.405 3.240 20 5 DGBDLO CCNc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000321512586 528430305 /nfs/dbraw/zinc/43/03/05/528430305.db2.gz HBWGPGYSAGDPEB-UHFFFAOYSA-N 1 2 314.345 3.291 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000728164592 576165528 /nfs/dbraw/zinc/16/55/28/576165528.db2.gz BPZYFSABALELDZ-UHFFFAOYSA-N 1 2 323.308 3.308 20 5 DGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000748490886 575590562 /nfs/dbraw/zinc/59/05/62/575590562.db2.gz DPQWKGWBUDTRKN-UHFFFAOYSA-N 1 2 323.308 3.138 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852651238 620637474 /nfs/dbraw/zinc/63/74/74/620637474.db2.gz KWJKORISVYWJLK-UHFFFAOYSA-N 1 2 320.364 3.125 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852651238 620637477 /nfs/dbraw/zinc/63/74/77/620637477.db2.gz KWJKORISVYWJLK-UHFFFAOYSA-N 1 2 320.364 3.125 20 5 DGBDLO COc1c(O)ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000891401965 617792996 /nfs/dbraw/zinc/79/29/96/617792996.db2.gz MAIFDZYHLLALMZ-CQSZACIVSA-N 1 2 314.341 3.256 20 5 DGBDLO COc1c(O)ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000891401965 617792998 /nfs/dbraw/zinc/79/29/98/617792998.db2.gz MAIFDZYHLLALMZ-CQSZACIVSA-N 1 2 314.341 3.256 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1NCc1nc(C[NH+](C)C)cs1 ZINC000895481181 618791569 /nfs/dbraw/zinc/79/15/69/618791569.db2.gz QUMPMNBGLAULEP-UHFFFAOYSA-N 1 2 306.391 3.033 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1NCc1nc(C[NH+](C)C)cs1 ZINC000895484237 618791982 /nfs/dbraw/zinc/79/19/82/618791982.db2.gz ICXNMOSZCWIRBV-UHFFFAOYSA-N 1 2 306.391 3.033 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CC(Cc4ccoc4)C3)nc2c1 ZINC000898160066 619218963 /nfs/dbraw/zinc/21/89/63/619218963.db2.gz PIOWKKAYQKSMOW-UHFFFAOYSA-N 1 2 313.313 3.004 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000903333928 619759031 /nfs/dbraw/zinc/75/90/31/619759031.db2.gz VIRFKGGYJJPEDM-MLGOLLRUSA-N 1 2 312.373 3.495 20 5 DGBDLO COc1cccc([C@H]([NH2+]CC[N+](=O)[O-])c2ccccc2Cl)c1 ZINC000905131998 619974345 /nfs/dbraw/zinc/97/43/45/619974345.db2.gz JKGIBGDTFWZNPH-INIZCTEOSA-N 1 2 320.776 3.304 20 5 DGBDLO O=[N+]([O-])CC[NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000905214430 619981112 /nfs/dbraw/zinc/98/11/12/619981112.db2.gz HDCKCGNDURVOER-LBPRGKRZSA-N 1 2 321.377 3.193 20 5 DGBDLO Cc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000907220592 620144068 /nfs/dbraw/zinc/14/40/68/620144068.db2.gz JXCQSAUIPYZPMK-LBPRGKRZSA-N 1 2 313.357 3.406 20 5 DGBDLO C[C@@H]1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000922556405 621057107 /nfs/dbraw/zinc/05/71/07/621057107.db2.gz GXHKYNBUVPRZQO-DOMZBBRYSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@@H]1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000922556405 621057111 /nfs/dbraw/zinc/05/71/11/621057111.db2.gz GXHKYNBUVPRZQO-DOMZBBRYSA-N 1 2 315.373 3.037 20 5 DGBDLO CC(C)[N@H+](Cc1cc(Cl)n(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000859089675 621247243 /nfs/dbraw/zinc/24/72/43/621247243.db2.gz IFPBHILLSDEIDX-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO CC(C)[N@@H+](Cc1cc(Cl)n(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000859089675 621247246 /nfs/dbraw/zinc/24/72/46/621247246.db2.gz IFPBHILLSDEIDX-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)n(C)n2)cc1[N+](=O)[O-] ZINC000859237969 621264120 /nfs/dbraw/zinc/26/41/20/621264120.db2.gz YZKPOOFKFYDQMA-JTQLQIEISA-N 1 2 308.769 3.141 20 5 DGBDLO Cn1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000859314933 621269689 /nfs/dbraw/zinc/26/96/89/621269689.db2.gz VYBYSTPHPCPGRX-UHFFFAOYSA-N 1 2 308.769 3.007 20 5 DGBDLO C/C(=C/c1ccccc1)C[N@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000754858113 621537915 /nfs/dbraw/zinc/53/79/15/621537915.db2.gz QUNNNFPREOSJSH-LCYFTJDESA-N 1 2 300.362 3.093 20 5 DGBDLO C/C(=C/c1ccccc1)C[N@@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000754858113 621537917 /nfs/dbraw/zinc/53/79/17/621537917.db2.gz QUNNNFPREOSJSH-LCYFTJDESA-N 1 2 300.362 3.093 20 5 DGBDLO NC(=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000761732517 622026868 /nfs/dbraw/zinc/02/68/68/622026868.db2.gz DCYSPCVBVDCXIL-UHFFFAOYSA-N 1 2 305.721 3.295 20 5 DGBDLO CC(=O)c1c(NCCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000763205648 622130013 /nfs/dbraw/zinc/13/00/13/622130013.db2.gz BRZXZQCXQJNVCR-UHFFFAOYSA-N 1 2 324.340 3.100 20 5 DGBDLO CCn1cc(C[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000768553198 622464510 /nfs/dbraw/zinc/46/45/10/622464510.db2.gz BMEZZBIYGURLAY-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO CCn1cc(C[N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000768553198 622464513 /nfs/dbraw/zinc/46/45/13/622464513.db2.gz BMEZZBIYGURLAY-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO Cc1ccc(N2CCC([N@H+](C)CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000771162030 622721531 /nfs/dbraw/zinc/72/15/31/622721531.db2.gz FOVUEKTWAXNYAE-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO Cc1ccc(N2CCC([N@@H+](C)CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000771162030 622721534 /nfs/dbraw/zinc/72/15/34/622721534.db2.gz FOVUEKTWAXNYAE-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872022638 622756927 /nfs/dbraw/zinc/75/69/27/622756927.db2.gz KJFSGEVKLYQJFH-LLVKDONJSA-N 1 2 318.352 3.046 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872032651 622764213 /nfs/dbraw/zinc/76/42/13/622764213.db2.gz XCHBEVPODIXDJU-JTQLQIEISA-N 1 2 320.320 3.299 20 5 DGBDLO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872041620 622769970 /nfs/dbraw/zinc/76/99/70/622769970.db2.gz IXMXIXIHJBRBPG-QXKQMHMISA-N 1 2 316.332 3.043 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000872075330 622790836 /nfs/dbraw/zinc/79/08/36/622790836.db2.gz PWWFCXYDMHZJAU-MFKMUULPSA-N 1 2 318.402 3.309 20 5 DGBDLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872114113 622815501 /nfs/dbraw/zinc/81/55/01/622815501.db2.gz VRXUAWQKHKJNOF-SSDOTTSWSA-N 1 2 312.782 3.138 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000872129686 622824074 /nfs/dbraw/zinc/82/40/74/622824074.db2.gz AGAVIWHIGNEHRI-JQWIXIFHSA-N 1 2 316.361 3.114 20 5 DGBDLO Cc1c(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cccc1[N+](=O)[O-] ZINC000873105640 623037258 /nfs/dbraw/zinc/03/72/58/623037258.db2.gz ZWOYKMRZURCVFI-ZDUSSCGKSA-N 1 2 320.295 3.405 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1Cl ZINC000783665112 624381254 /nfs/dbraw/zinc/38/12/54/624381254.db2.gz UFFGKOSMDQUGSF-JTQLQIEISA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1Cl ZINC000783665112 624381257 /nfs/dbraw/zinc/38/12/57/624381257.db2.gz UFFGKOSMDQUGSF-JTQLQIEISA-N 1 2 320.723 3.452 20 5 DGBDLO C/C(=C/C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000783988360 624416748 /nfs/dbraw/zinc/41/67/48/624416748.db2.gz NDJCWZJINAXGLP-BENRWUELSA-N 1 2 322.324 3.285 20 5 DGBDLO CC(C)c1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000792169277 625917840 /nfs/dbraw/zinc/91/78/40/625917840.db2.gz FVXATLAPONNXJD-UHFFFAOYSA-N 1 2 315.329 3.052 20 5 DGBDLO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000797525522 626151030 /nfs/dbraw/zinc/15/10/30/626151030.db2.gz AJUPUVBLNRZLJU-SNVBAGLBSA-N 1 2 323.780 3.085 20 5 DGBDLO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000797525522 626151034 /nfs/dbraw/zinc/15/10/34/626151034.db2.gz AJUPUVBLNRZLJU-SNVBAGLBSA-N 1 2 323.780 3.085 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1CCO ZINC000809982114 626965196 /nfs/dbraw/zinc/96/51/96/626965196.db2.gz IXMZYJQXLBKOCX-LLVKDONJSA-N 1 2 319.188 3.248 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000809982114 626965199 /nfs/dbraw/zinc/96/51/99/626965199.db2.gz IXMZYJQXLBKOCX-LLVKDONJSA-N 1 2 319.188 3.248 20 5 DGBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])o1 ZINC000886138834 627111097 /nfs/dbraw/zinc/11/10/97/627111097.db2.gz VBHRHXQAHAQQOB-CQSZACIVSA-N 1 2 317.345 3.066 20 5 DGBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])o1 ZINC000886138834 627111100 /nfs/dbraw/zinc/11/11/00/627111100.db2.gz VBHRHXQAHAQQOB-CQSZACIVSA-N 1 2 317.345 3.066 20 5 DGBDLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000886431567 627147622 /nfs/dbraw/zinc/14/76/22/627147622.db2.gz ARQWZFFEMYFKAL-CQSZACIVSA-N 1 2 306.387 3.130 20 5 DGBDLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000886431567 627147625 /nfs/dbraw/zinc/14/76/25/627147625.db2.gz ARQWZFFEMYFKAL-CQSZACIVSA-N 1 2 306.387 3.130 20 5 DGBDLO CCc1nc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000815578113 627686225 /nfs/dbraw/zinc/68/62/25/627686225.db2.gz HRTBDYSZTSUQIP-VIFPVBQESA-N 1 2 306.391 3.047 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000925497838 627742350 /nfs/dbraw/zinc/74/23/50/627742350.db2.gz ZGPKQGTVDHPSDZ-OLZOCXBDSA-N 1 2 317.393 3.487 20 5 DGBDLO Cn1c[nH+]cc1COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000794729857 661102383 /nfs/dbraw/zinc/10/23/83/661102383.db2.gz LTHCRHYXCVZEAS-UHFFFAOYSA-N 1 2 302.117 3.214 20 5 DGBDLO CSCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000932587850 661583379 /nfs/dbraw/zinc/58/33/79/661583379.db2.gz UYHNXDLUHIJBKB-UHFFFAOYSA-N 1 2 320.418 3.046 20 5 DGBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540827 661878151 /nfs/dbraw/zinc/87/81/51/661878151.db2.gz BJEPXOYZEXSWGL-UHFFFAOYSA-N 1 2 318.304 3.095 20 5 DGBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540827 661878154 /nfs/dbraw/zinc/87/81/54/661878154.db2.gz BJEPXOYZEXSWGL-UHFFFAOYSA-N 1 2 318.304 3.095 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001620574186 1191998332 /nfs/dbraw/zinc/99/83/32/1191998332.db2.gz JVRYEUXDXPPWKT-OAHLLOKOSA-N 1 2 300.362 3.272 20 5 DGBDLO CCNc1ccc(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)c[nH+]1 ZINC001458731847 1182550477 /nfs/dbraw/zinc/55/04/77/1182550477.db2.gz SKACICXPCSXEOQ-UHFFFAOYSA-N 1 2 317.349 3.347 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)c(Cl)c1 ZINC001460146965 1182657595 /nfs/dbraw/zinc/65/75/95/1182657595.db2.gz ZKEHDQBNMNJAHQ-OAHLLOKOSA-N 1 2 324.739 3.211 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC001461428702 1182812441 /nfs/dbraw/zinc/81/24/41/1182812441.db2.gz BEDBRHCRITUSRK-CYBMUJFWSA-N 1 2 306.268 3.096 20 5 DGBDLO CCCC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC001462060508 1182903700 /nfs/dbraw/zinc/90/37/00/1182903700.db2.gz NHBINTFHAWGRCB-DZGCQCFKSA-N 1 2 322.405 3.237 20 5 DGBDLO CCNc1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC001473785865 1183801536 /nfs/dbraw/zinc/80/15/36/1183801536.db2.gz WQODNPYAXVOUDO-JTQLQIEISA-N 1 2 306.391 3.334 20 5 DGBDLO Cc1cc(C)c(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c[nH+]1 ZINC001476662835 1184047361 /nfs/dbraw/zinc/04/73/61/1184047361.db2.gz YYZLDTZCEBTLTI-UHFFFAOYSA-N 1 2 318.308 3.067 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)ccn12 ZINC001530566117 1187635274 /nfs/dbraw/zinc/63/52/74/1187635274.db2.gz SGHQEJWIYLDLEL-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001559576822 1189219586 /nfs/dbraw/zinc/21/95/86/1189219586.db2.gz MMDRIQICHHNISX-KRWDZBQOSA-N 1 2 316.332 3.092 20 5 DGBDLO Cc1cc(F)ccc1[C@@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001559576822 1189219589 /nfs/dbraw/zinc/21/95/89/1189219589.db2.gz MMDRIQICHHNISX-KRWDZBQOSA-N 1 2 316.332 3.092 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnc3ccccc3n1)CC2 ZINC001621188510 1193815050 /nfs/dbraw/zinc/81/50/50/1193815050.db2.gz JWTREEPGORJBQH-UHFFFAOYSA-N 1 2 320.352 3.096 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnc3ccccc3n1)CC2 ZINC001621188510 1193815052 /nfs/dbraw/zinc/81/50/52/1193815052.db2.gz JWTREEPGORJBQH-UHFFFAOYSA-N 1 2 320.352 3.096 20 5 DGBDLO Cc1ccc([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cc1[N+](=O)[O-] ZINC001630156171 1194272205 /nfs/dbraw/zinc/27/22/05/1194272205.db2.gz DUNANANKKGUVKB-LLVKDONJSA-N 1 2 324.340 3.271 20 5 DGBDLO CC[N@@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001642448621 1194912271 /nfs/dbraw/zinc/91/22/71/1194912271.db2.gz BJLDDHHFYJLSAF-VIFPVBQESA-N 1 2 318.204 3.432 20 5 DGBDLO CC[N@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001642448621 1194912275 /nfs/dbraw/zinc/91/22/75/1194912275.db2.gz BJLDDHHFYJLSAF-VIFPVBQESA-N 1 2 318.204 3.432 20 5 DGBDLO Nc1[nH+]cccc1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001651075730 1195410388 /nfs/dbraw/zinc/41/03/88/1195410388.db2.gz XJIHJGZWHMFCIB-UHFFFAOYSA-N 1 2 321.340 3.246 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)c1 ZINC001656689429 1196062307 /nfs/dbraw/zinc/06/23/07/1196062307.db2.gz XBMIFEPAWDEUCK-UHFFFAOYSA-N 1 2 314.238 3.441 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCn4ccnc43)o2)c1 ZINC001657413403 1196138771 /nfs/dbraw/zinc/13/87/71/1196138771.db2.gz MYEIPNBDHVSMOJ-OAHLLOKOSA-N 1 2 324.340 3.286 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c(F)c1 ZINC001664311033 1196988876 /nfs/dbraw/zinc/98/88/76/1196988876.db2.gz SPQWFCKHBWFBNL-OAHLLOKOSA-N 1 2 320.295 3.486 20 5 DGBDLO O=[N+]([O-])c1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001204456406 1081788532 /nfs/dbraw/zinc/78/85/32/1081788532.db2.gz MCDNIDLBRDYGLO-UHFFFAOYSA-N 1 2 313.357 3.171 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1Nc1cc([C@@H]2CCCC[NH2+]2)no1 ZINC001159313521 1088284444 /nfs/dbraw/zinc/28/44/44/1088284444.db2.gz QAUXBNGYEFCYLF-JTQLQIEISA-N 1 2 306.297 3.280 20 5 DGBDLO O=[N+]([O-])c1cc2cc[nH]c2c(NCCc2cn3ccccc3[nH+]2)c1 ZINC001169004660 1092483438 /nfs/dbraw/zinc/48/34/38/1092483438.db2.gz JWQXPOBVEYJNRE-UHFFFAOYSA-N 1 2 321.340 3.378 20 5 DGBDLO CCOc1cc[nH+]cc1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001211292444 1093447374 /nfs/dbraw/zinc/44/73/74/1093447374.db2.gz LPHOXOQMVVJUBF-UHFFFAOYSA-N 1 2 318.289 3.349 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c(F)cncc2F)cc1[N+](=O)[O-] ZINC001119777214 1094288317 /nfs/dbraw/zinc/28/83/17/1094288317.db2.gz PNMOZFZOBXQJSD-SNVBAGLBSA-N 1 2 307.300 3.427 20 5 DGBDLO COc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc2Cl)cc1 ZINC001120497747 1094442889 /nfs/dbraw/zinc/44/28/89/1094442889.db2.gz YZRQDDCWMXYDPX-MRXNPFEDSA-N 1 2 320.776 3.304 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc2[nH+]ccn21 ZINC001135495105 1094554454 /nfs/dbraw/zinc/55/44/54/1094554454.db2.gz QLSAXSOVZFZAIW-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO COc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])cc1C ZINC001339473032 1095636202 /nfs/dbraw/zinc/63/62/02/1095636202.db2.gz YRAUAXGUZAFCKS-UHFFFAOYSA-N 1 2 316.361 3.019 20 5 DGBDLO CCOC(=O)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC001173219275 1097370589 /nfs/dbraw/zinc/37/05/89/1097370589.db2.gz MUZQNKHHWLGXBH-WOSRLPQWSA-N 1 2 322.405 3.093 20 5 DGBDLO Cc1ccc(C[N@H+]2CCN(C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001176432376 1098339906 /nfs/dbraw/zinc/33/99/06/1098339906.db2.gz OAWVRQOEIIDVKE-MRXNPFEDSA-N 1 2 305.422 3.065 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCN(C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001176432376 1098339913 /nfs/dbraw/zinc/33/99/13/1098339913.db2.gz OAWVRQOEIIDVKE-MRXNPFEDSA-N 1 2 305.422 3.065 20 5 DGBDLO O=[N+]([O-])c1cc(O)cc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001199802612 1102217134 /nfs/dbraw/zinc/21/71/34/1102217134.db2.gz WBVBZJOXKCKUND-UHFFFAOYSA-N 1 2 314.345 3.429 20 5 DGBDLO Cc1noc(C[N@@H+]2Cc3ccccc3C3(CCC3)C2)c1[N+](=O)[O-] ZINC001329894960 1104413938 /nfs/dbraw/zinc/41/39/38/1104413938.db2.gz MAJXOFAAWKSHNT-UHFFFAOYSA-N 1 2 313.357 3.329 20 5 DGBDLO Cc1noc(C[N@H+]2Cc3ccccc3C3(CCC3)C2)c1[N+](=O)[O-] ZINC001329894960 1104413941 /nfs/dbraw/zinc/41/39/41/1104413941.db2.gz MAJXOFAAWKSHNT-UHFFFAOYSA-N 1 2 313.357 3.329 20 5 DGBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C)o1 ZINC000278587793 214258397 /nfs/dbraw/zinc/25/83/97/214258397.db2.gz KTMUASCPQULJNC-ZDUSSCGKSA-N 1 2 308.309 3.113 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCc4sccc4C3)nc2c1 ZINC000083133345 185213737 /nfs/dbraw/zinc/21/37/37/185213737.db2.gz LRQLNFWATPCWFJ-UHFFFAOYSA-N 1 2 315.354 3.356 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCc4sccc4C3)nc2c1 ZINC000083133345 185213738 /nfs/dbraw/zinc/21/37/38/185213738.db2.gz LRQLNFWATPCWFJ-UHFFFAOYSA-N 1 2 315.354 3.356 20 5 DGBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000183842728 186223293 /nfs/dbraw/zinc/22/32/93/186223293.db2.gz XFSLWWZBWWJMRI-CYBMUJFWSA-N 1 2 310.737 3.319 20 5 DGBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000237499663 186297879 /nfs/dbraw/zinc/29/78/79/186297879.db2.gz XSAHQDSYIPTVGO-SNVBAGLBSA-N 1 2 304.350 3.126 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000265149984 186341336 /nfs/dbraw/zinc/34/13/36/186341336.db2.gz BCECPFIRDQYYTG-UHFFFAOYSA-N 1 2 311.345 3.068 20 5 DGBDLO C[C@H](c1ccc(F)cc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332502489 235042288 /nfs/dbraw/zinc/04/22/88/235042288.db2.gz DORGFCAMCBQYRM-LLVKDONJSA-N 1 2 301.321 3.248 20 5 DGBDLO C[C@H](c1ccc(F)cc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332502489 235042291 /nfs/dbraw/zinc/04/22/91/235042291.db2.gz DORGFCAMCBQYRM-LLVKDONJSA-N 1 2 301.321 3.248 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)cc1[N+](=O)[O-] ZINC000191290522 200662721 /nfs/dbraw/zinc/66/27/21/200662721.db2.gz IEMIJINTGYAPIL-LBPRGKRZSA-N 1 2 317.393 3.101 20 5 DGBDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193688162 201105853 /nfs/dbraw/zinc/10/58/53/201105853.db2.gz MPFVJNJDYCIVHQ-SNVBAGLBSA-N 1 2 305.290 3.289 20 5 DGBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193688162 201105856 /nfs/dbraw/zinc/10/58/56/201105856.db2.gz MPFVJNJDYCIVHQ-SNVBAGLBSA-N 1 2 305.290 3.289 20 5 DGBDLO Cc1cccc2c1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000444704635 239330438 /nfs/dbraw/zinc/33/04/38/239330438.db2.gz AIVCWLLHJMAWPI-UHFFFAOYSA-N 1 2 322.368 3.338 20 5 DGBDLO Cc1cccc2c1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000444704635 239330443 /nfs/dbraw/zinc/33/04/43/239330443.db2.gz AIVCWLLHJMAWPI-UHFFFAOYSA-N 1 2 322.368 3.338 20 5 DGBDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000449570485 240297392 /nfs/dbraw/zinc/29/73/92/240297392.db2.gz JUEYJUMUNBCNHJ-RNCFNFMXSA-N 1 2 306.753 3.240 20 5 DGBDLO CCOc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000119169418 284136347 /nfs/dbraw/zinc/13/63/47/284136347.db2.gz XHGRWJPIYRQWRK-UHFFFAOYSA-N 1 2 315.329 3.258 20 5 DGBDLO COC(=O)C[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000093287176 193224598 /nfs/dbraw/zinc/22/45/98/193224598.db2.gz JEZQFEANJSYMRI-UHFFFAOYSA-N 1 2 308.378 3.102 20 5 DGBDLO COC(=O)C[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000093287176 193224600 /nfs/dbraw/zinc/22/46/00/193224600.db2.gz JEZQFEANJSYMRI-UHFFFAOYSA-N 1 2 308.378 3.102 20 5 DGBDLO Cc1noc(C)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126980671 284323405 /nfs/dbraw/zinc/32/34/05/284323405.db2.gz BNFQDOCAQITDDS-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO Cc1noc(C)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126980671 284323408 /nfs/dbraw/zinc/32/34/08/284323408.db2.gz BNFQDOCAQITDDS-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000493876678 246091016 /nfs/dbraw/zinc/09/10/16/246091016.db2.gz WOAHRWIPTSEADJ-AWEZNQCLSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cc([C@@H]2CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000493876678 246091020 /nfs/dbraw/zinc/09/10/20/246091020.db2.gz WOAHRWIPTSEADJ-AWEZNQCLSA-N 1 2 320.780 3.319 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000104695325 194028301 /nfs/dbraw/zinc/02/83/01/194028301.db2.gz KWEMYUAFXLBSEA-LBPRGKRZSA-N 1 2 310.419 3.319 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H](C)C1 ZINC000104695325 194028302 /nfs/dbraw/zinc/02/83/02/194028302.db2.gz KWEMYUAFXLBSEA-LBPRGKRZSA-N 1 2 310.419 3.319 20 5 DGBDLO CCOc1cccc(NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000273870903 211130375 /nfs/dbraw/zinc/13/03/75/211130375.db2.gz ONBWFGCGGUCTSP-UHFFFAOYSA-N 1 2 316.361 3.067 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c(C(C)C)n1 ZINC000110253668 194317940 /nfs/dbraw/zinc/31/79/40/194317940.db2.gz DODNQRZUJDCKHK-UHFFFAOYSA-N 1 2 302.334 3.129 20 5 DGBDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350207 184295109 /nfs/dbraw/zinc/29/51/09/184295109.db2.gz NHKXGHYXXDNPSN-UHFFFAOYSA-N 1 2 308.378 3.147 20 5 DGBDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350207 184295110 /nfs/dbraw/zinc/29/51/10/184295110.db2.gz NHKXGHYXXDNPSN-UHFFFAOYSA-N 1 2 308.378 3.147 20 5 DGBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccn1 ZINC000119789295 195037175 /nfs/dbraw/zinc/03/71/75/195037175.db2.gz ONCJVCLRCCCTFV-UHFFFAOYSA-N 1 2 312.329 3.153 20 5 DGBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccn1 ZINC000119789295 195037177 /nfs/dbraw/zinc/03/71/77/195037177.db2.gz ONCJVCLRCCCTFV-UHFFFAOYSA-N 1 2 312.329 3.153 20 5 DGBDLO CCc1nnc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000273017522 210397190 /nfs/dbraw/zinc/39/71/90/210397190.db2.gz BPASXNCXRUSIHK-LBPRGKRZSA-N 1 2 306.391 3.250 20 5 DGBDLO Cc1cc(NCCn2cc[nH+]c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338634898 253323851 /nfs/dbraw/zinc/32/38/51/253323851.db2.gz AVFGGTHQDVNPKZ-UHFFFAOYSA-N 1 2 314.267 3.231 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000338962428 253380462 /nfs/dbraw/zinc/38/04/62/253380462.db2.gz HDOGWLHLHISQJL-ZDUSSCGKSA-N 1 2 316.332 3.429 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000338962428 253380464 /nfs/dbraw/zinc/38/04/64/253380464.db2.gz HDOGWLHLHISQJL-ZDUSSCGKSA-N 1 2 316.332 3.429 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000339005702 253387821 /nfs/dbraw/zinc/38/78/21/253387821.db2.gz YSTBLUDMALXMHM-HNNXBMFYSA-N 1 2 312.369 3.365 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000339005702 253387824 /nfs/dbraw/zinc/38/78/24/253387824.db2.gz YSTBLUDMALXMHM-HNNXBMFYSA-N 1 2 312.369 3.365 20 5 DGBDLO C[N@H+](Cc1nc2cccnc2s1)Cc1ccccc1[N+](=O)[O-] ZINC000341578075 253833280 /nfs/dbraw/zinc/83/32/80/253833280.db2.gz ABUHFGMNOGGKJJ-UHFFFAOYSA-N 1 2 314.370 3.232 20 5 DGBDLO C[N@@H+](Cc1nc2cccnc2s1)Cc1ccccc1[N+](=O)[O-] ZINC000341578075 253833282 /nfs/dbraw/zinc/83/32/82/253833282.db2.gz ABUHFGMNOGGKJJ-UHFFFAOYSA-N 1 2 314.370 3.232 20 5 DGBDLO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3c(Cl)cccc23)c1 ZINC000342657138 254027657 /nfs/dbraw/zinc/02/76/57/254027657.db2.gz GKGJWAKPWWMNDU-UHFFFAOYSA-N 1 2 317.736 3.105 20 5 DGBDLO COCc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000289564115 221068923 /nfs/dbraw/zinc/06/89/23/221068923.db2.gz ANLPLPFPRYOLFH-LLVKDONJSA-N 1 2 321.402 3.357 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1F ZINC000289825376 221250888 /nfs/dbraw/zinc/25/08/88/221250888.db2.gz JJYKUOMJULOWMZ-LBPRGKRZSA-N 1 2 324.743 3.031 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1F ZINC000289825376 221250890 /nfs/dbraw/zinc/25/08/90/221250890.db2.gz JJYKUOMJULOWMZ-LBPRGKRZSA-N 1 2 324.743 3.031 20 5 DGBDLO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595565139 400188800 /nfs/dbraw/zinc/18/88/00/400188800.db2.gz BQTMAXJWVOUFMR-GWCFXTLKSA-N 1 2 323.780 3.061 20 5 DGBDLO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595565139 400188807 /nfs/dbraw/zinc/18/88/07/400188807.db2.gz BQTMAXJWVOUFMR-GWCFXTLKSA-N 1 2 323.780 3.061 20 5 DGBDLO COCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000595297809 400121690 /nfs/dbraw/zinc/12/16/90/400121690.db2.gz YRTPGNKYXVWMFT-ZDUSSCGKSA-N 1 2 319.361 3.101 20 5 DGBDLO COCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000595297809 400121696 /nfs/dbraw/zinc/12/16/96/400121696.db2.gz YRTPGNKYXVWMFT-ZDUSSCGKSA-N 1 2 319.361 3.101 20 5 DGBDLO Cc1nc(NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000091506156 400125797 /nfs/dbraw/zinc/12/57/97/400125797.db2.gz HDLCQMSNSHOHIT-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO Cc1noc(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000595332637 400128214 /nfs/dbraw/zinc/12/82/14/400128214.db2.gz OHLSLGPBAQDCSE-ZYHUDNBSSA-N 1 2 305.334 3.457 20 5 DGBDLO Cc1noc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000595332637 400128218 /nfs/dbraw/zinc/12/82/18/400128218.db2.gz OHLSLGPBAQDCSE-ZYHUDNBSSA-N 1 2 305.334 3.457 20 5 DGBDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595330620 400128633 /nfs/dbraw/zinc/12/86/33/400128633.db2.gz MGMQUPKSSUXQBN-SNVBAGLBSA-N 1 2 324.406 3.412 20 5 DGBDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595330620 400128636 /nfs/dbraw/zinc/12/86/36/400128636.db2.gz MGMQUPKSSUXQBN-SNVBAGLBSA-N 1 2 324.406 3.412 20 5 DGBDLO COc1cc(NCc2cn3cccc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000091628407 400129117 /nfs/dbraw/zinc/12/91/17/400129117.db2.gz RRZLYUVSEGZKJH-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000595410981 400143050 /nfs/dbraw/zinc/14/30/50/400143050.db2.gz KJTNOMQENSDJFB-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000595410981 400143052 /nfs/dbraw/zinc/14/30/52/400143052.db2.gz KJTNOMQENSDJFB-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO Cc1noc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595432991 400148591 /nfs/dbraw/zinc/14/85/91/400148591.db2.gz XPYKEKCWKYJFQG-CBAPKCEASA-N 1 2 307.272 3.054 20 5 DGBDLO Cc1noc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595432991 400148596 /nfs/dbraw/zinc/14/85/96/400148596.db2.gz XPYKEKCWKYJFQG-CBAPKCEASA-N 1 2 307.272 3.054 20 5 DGBDLO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000610276465 400231848 /nfs/dbraw/zinc/23/18/48/400231848.db2.gz YPEYWLVMRQVHSJ-OAHLLOKOSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1c(C[N@@H+]2CCOc3ccc(O)cc3C2)cccc1[N+](=O)[O-] ZINC000595859280 400281826 /nfs/dbraw/zinc/28/18/26/400281826.db2.gz YYBRLWOGJKBYNM-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO Cc1c(C[N@H+]2CCOc3ccc(O)cc3C2)cccc1[N+](=O)[O-] ZINC000595859280 400281833 /nfs/dbraw/zinc/28/18/33/400281833.db2.gz YYBRLWOGJKBYNM-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595916299 400294737 /nfs/dbraw/zinc/29/47/37/400294737.db2.gz OHDOEQHRVYZOKK-HZMBPMFUSA-N 1 2 300.305 3.012 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595916299 400294740 /nfs/dbraw/zinc/29/47/40/400294740.db2.gz OHDOEQHRVYZOKK-HZMBPMFUSA-N 1 2 300.305 3.012 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069069197 400308621 /nfs/dbraw/zinc/30/86/21/400308621.db2.gz WDWUQXKWQIGZNK-GFCCVEGCSA-N 1 2 317.345 3.128 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000069069197 400308626 /nfs/dbraw/zinc/30/86/26/400308626.db2.gz WDWUQXKWQIGZNK-GFCCVEGCSA-N 1 2 317.345 3.128 20 5 DGBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093845297 400259495 /nfs/dbraw/zinc/25/94/95/400259495.db2.gz GQJPRYMIEFLBFS-QGZVFWFLSA-N 1 2 315.373 3.366 20 5 DGBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093845297 400259498 /nfs/dbraw/zinc/25/94/98/400259498.db2.gz GQJPRYMIEFLBFS-QGZVFWFLSA-N 1 2 315.373 3.366 20 5 DGBDLO Cc1cc(N2CC(C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000611133020 400349599 /nfs/dbraw/zinc/34/95/99/400349599.db2.gz HONLSSMMEXYHBU-UHFFFAOYSA-N 1 2 312.373 3.452 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000611209334 400359276 /nfs/dbraw/zinc/35/92/76/400359276.db2.gz YYAXTWSLHQTHIZ-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000611209334 400359281 /nfs/dbraw/zinc/35/92/81/400359281.db2.gz YYAXTWSLHQTHIZ-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000591147315 400492654 /nfs/dbraw/zinc/49/26/54/400492654.db2.gz WIWHDUMMKOZXJY-UHFFFAOYSA-N 1 2 301.346 3.148 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074727007 400530521 /nfs/dbraw/zinc/53/05/21/400530521.db2.gz FSVROASQVOAGAZ-UHFFFAOYSA-N 1 2 311.345 3.068 20 5 DGBDLO CC(C)n1cc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000612517483 400557501 /nfs/dbraw/zinc/55/75/01/400557501.db2.gz TUTPIPQOQDVZSI-NSHDSACASA-N 1 2 306.341 3.362 20 5 DGBDLO COc1ccc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000592187726 400620900 /nfs/dbraw/zinc/62/09/00/400620900.db2.gz KXVSRRYMFBUHKP-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1ccc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000592187726 400620904 /nfs/dbraw/zinc/62/09/04/400620904.db2.gz KXVSRRYMFBUHKP-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC3(CC3(F)F)CC2)c(F)c1 ZINC000593073962 400754000 /nfs/dbraw/zinc/75/40/00/400754000.db2.gz YXYMFDVVQDZMBL-UHFFFAOYSA-N 1 2 318.270 3.494 20 5 DGBDLO CCc1cc(NC2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000603937437 400735663 /nfs/dbraw/zinc/73/56/63/400735663.db2.gz VLHBNBQGSJNEGN-UHFFFAOYSA-N 1 2 312.373 3.391 20 5 DGBDLO CCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C(C)C)cn1 ZINC000593082229 400757228 /nfs/dbraw/zinc/75/72/28/400757228.db2.gz USVLKCKQDNLWED-UHFFFAOYSA-N 1 2 320.368 3.361 20 5 DGBDLO CCn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C(C)C)cn1 ZINC000593082229 400757230 /nfs/dbraw/zinc/75/72/30/400757230.db2.gz USVLKCKQDNLWED-UHFFFAOYSA-N 1 2 320.368 3.361 20 5 DGBDLO CCn1c2ccccc2[nH+]c1CCNc1cccnc1[N+](=O)[O-] ZINC000604482854 400779157 /nfs/dbraw/zinc/77/91/57/400779157.db2.gz LOBUBUMWEOPHFV-UHFFFAOYSA-N 1 2 311.345 3.014 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000619179483 400791745 /nfs/dbraw/zinc/79/17/45/400791745.db2.gz MHEKWPAVHDZUJL-MRXNPFEDSA-N 1 2 322.405 3.240 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000619179483 400791750 /nfs/dbraw/zinc/79/17/50/400791750.db2.gz MHEKWPAVHDZUJL-MRXNPFEDSA-N 1 2 322.405 3.240 20 5 DGBDLO O=C(Nc1ccsc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172522823 400831608 /nfs/dbraw/zinc/83/16/08/400831608.db2.gz WPZRGFULAZODJV-UHFFFAOYSA-N 1 2 314.326 3.094 20 5 DGBDLO CC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599044960 400936341 /nfs/dbraw/zinc/93/63/41/400936341.db2.gz WCHFLBQOLTTYEO-AAEUAGOBSA-N 1 2 301.346 3.147 20 5 DGBDLO CC(C)(C)OC(=O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599048305 400937782 /nfs/dbraw/zinc/93/77/82/400937782.db2.gz JTOOAAXEBYASKB-UHFFFAOYSA-N 1 2 317.345 3.287 20 5 DGBDLO O=[N+]([O-])c1c(N[C@H]2CC[C@@H](CO)CC2)ccc2c[nH+]ccc21 ZINC000599056608 400941391 /nfs/dbraw/zinc/94/13/91/400941391.db2.gz KGBIYIBMIFISIR-BJHJDKERSA-N 1 2 301.346 3.106 20 5 DGBDLO CC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCOCC1 ZINC000599063356 400944464 /nfs/dbraw/zinc/94/44/64/400944464.db2.gz YUIRHGIUSJGTCJ-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DGBDLO COCC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1 ZINC000599075117 400951919 /nfs/dbraw/zinc/95/19/19/400951919.db2.gz TYVAKSIWBIDHDS-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DGBDLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598936101 400909023 /nfs/dbraw/zinc/90/90/23/400909023.db2.gz LRTBBHQCECTZIF-UHFFFAOYSA-N 1 2 312.373 3.067 20 5 DGBDLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598936101 400909024 /nfs/dbraw/zinc/90/90/24/400909024.db2.gz LRTBBHQCECTZIF-UHFFFAOYSA-N 1 2 312.373 3.067 20 5 DGBDLO C[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])Cn1cccn1 ZINC000599023045 400929702 /nfs/dbraw/zinc/92/97/02/400929702.db2.gz AFBGCCMCPMKLHQ-GFCCVEGCSA-N 1 2 311.345 3.088 20 5 DGBDLO Cc1cnn([C@H]2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)c1 ZINC000599079343 400954113 /nfs/dbraw/zinc/95/41/13/400954113.db2.gz DXAVHRWKMNULPL-AWEZNQCLSA-N 1 2 323.356 3.099 20 5 DGBDLO C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000599026366 400932150 /nfs/dbraw/zinc/93/21/50/400932150.db2.gz WEDHMSRAEAKBOK-GFCCVEGCSA-N 1 2 311.345 3.088 20 5 DGBDLO O=[N+]([O-])c1c(NC[C@H](O)C2CCCCC2)ccc2c[nH+]ccc21 ZINC000599040555 400935452 /nfs/dbraw/zinc/93/54/52/400935452.db2.gz JLKAIYLNKIRHDQ-INIZCTEOSA-N 1 2 315.373 3.496 20 5 DGBDLO CC1(C)CCC[C@]1(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599087155 400956599 /nfs/dbraw/zinc/95/65/99/400956599.db2.gz WCWZBRJDDGFLOC-KRWDZBQOSA-N 1 2 315.373 3.496 20 5 DGBDLO O=[N+]([O-])c1c(NCC[C@H]2CCCOC2)ccc2c[nH+]ccc21 ZINC000599117257 400965138 /nfs/dbraw/zinc/96/51/38/400965138.db2.gz QKYZKVRPAZOPTP-GFCCVEGCSA-N 1 2 301.346 3.372 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084136733 401131095 /nfs/dbraw/zinc/13/10/95/401131095.db2.gz HQIWOWXYLZCUGL-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084136733 401131100 /nfs/dbraw/zinc/13/11/00/401131100.db2.gz HQIWOWXYLZCUGL-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO CCOc1cc(N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000359099895 286236894 /nfs/dbraw/zinc/23/68/94/286236894.db2.gz OXXVALRVHBXBPS-ZDUSSCGKSA-N 1 2 302.334 3.058 20 5 DGBDLO COc1c(C)c[nH+]c(COc2nc(C)cc(C)c2[N+](=O)[O-])c1C ZINC000359644195 286352935 /nfs/dbraw/zinc/35/29/35/286352935.db2.gz FBTUIRXZXJWKOC-UHFFFAOYSA-N 1 2 317.345 3.206 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)CCC2 ZINC000361191124 286620558 /nfs/dbraw/zinc/62/05/58/286620558.db2.gz ZCRXXKZMGNPTSV-JTQLQIEISA-N 1 2 322.315 3.367 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000361813026 286729682 /nfs/dbraw/zinc/72/96/82/286729682.db2.gz JYFLOAWCFJAJSX-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO COc1cccc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000364916148 287075291 /nfs/dbraw/zinc/07/52/91/287075291.db2.gz OXAJZQDYADOQMR-LBPRGKRZSA-N 1 2 316.361 3.098 20 5 DGBDLO O=[N+]([O-])c1ccc(OCCn2c[nH+]c3cc(F)c(F)cc32)cc1 ZINC000192831540 165308752 /nfs/dbraw/zinc/30/87/52/165308752.db2.gz VMTADXABSLYWLS-UHFFFAOYSA-N 1 2 319.267 3.302 20 5 DGBDLO COc1cc(C[N@H+](C)[C@@H](C)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000131081103 196137607 /nfs/dbraw/zinc/13/76/07/196137607.db2.gz RKBPAXJSNNWGDW-NSHDSACASA-N 1 2 320.345 3.398 20 5 DGBDLO COc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000131081103 196137608 /nfs/dbraw/zinc/13/76/08/196137608.db2.gz RKBPAXJSNNWGDW-NSHDSACASA-N 1 2 320.345 3.398 20 5 DGBDLO Cc1ccc2[nH+]c(CSc3ccc([N+](=O)[O-])cn3)cn2c1 ZINC000178764843 228345765 /nfs/dbraw/zinc/34/57/65/228345765.db2.gz KZZRAETVNVTVKX-UHFFFAOYSA-N 1 2 300.343 3.238 20 5 DGBDLO COCc1cc([N+](=O)[O-])ccc1NCCc1ccc(C)c[nH+]1 ZINC000413355858 230202039 /nfs/dbraw/zinc/20/20/39/230202039.db2.gz SUCHANKLLWLAGC-UHFFFAOYSA-N 1 2 301.346 3.099 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(F)cn1)C1CC1 ZINC000346403431 264026703 /nfs/dbraw/zinc/02/67/03/264026703.db2.gz AVUPTMFMJYGGGR-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(F)cn1)C1CC1 ZINC000346403431 264026705 /nfs/dbraw/zinc/02/67/05/264026705.db2.gz AVUPTMFMJYGGGR-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO CC(C)c1ccc(C[N@H+](C)Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000355274300 266023059 /nfs/dbraw/zinc/02/30/59/266023059.db2.gz CAFOZAZCZXPIEF-UHFFFAOYSA-N 1 2 302.378 3.084 20 5 DGBDLO CC(C)c1ccc(C[N@@H+](C)Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000355274300 266023062 /nfs/dbraw/zinc/02/30/62/266023062.db2.gz CAFOZAZCZXPIEF-UHFFFAOYSA-N 1 2 302.378 3.084 20 5 DGBDLO Cc1ccc([C@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)c(C)c1 ZINC000355782817 266182597 /nfs/dbraw/zinc/18/25/97/266182597.db2.gz FXMVVOSUMSYFMV-ZDUSSCGKSA-N 1 2 302.378 3.138 20 5 DGBDLO Cc1ccc([C@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)c(C)c1 ZINC000355782817 266182600 /nfs/dbraw/zinc/18/26/00/266182600.db2.gz FXMVVOSUMSYFMV-ZDUSSCGKSA-N 1 2 302.378 3.138 20 5 DGBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(Cl)c1 ZINC000355790551 266186344 /nfs/dbraw/zinc/18/63/44/266186344.db2.gz GPSIYSFWMLXODL-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(Cl)c1 ZINC000355790551 266186347 /nfs/dbraw/zinc/18/63/47/266186347.db2.gz GPSIYSFWMLXODL-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355788729 266186609 /nfs/dbraw/zinc/18/66/09/266186609.db2.gz QAHOYYGQRVHLEY-SNVBAGLBSA-N 1 2 308.769 3.175 20 5 DGBDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355788729 266186611 /nfs/dbraw/zinc/18/66/11/266186611.db2.gz QAHOYYGQRVHLEY-SNVBAGLBSA-N 1 2 308.769 3.175 20 5 DGBDLO Cc1ccc(Cc2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000356108961 266286070 /nfs/dbraw/zinc/28/60/70/266286070.db2.gz KBOFSWGHSQUXNM-FPLPWBNLSA-N 1 2 322.324 3.442 20 5 DGBDLO CCc1cc(NCCCNc2ccc(C)cc2[N+](=O)[O-])nc[nH+]1 ZINC000610077349 430563987 /nfs/dbraw/zinc/56/39/87/430563987.db2.gz SEWROVAWOKTERP-UHFFFAOYSA-N 1 2 315.377 3.170 20 5 DGBDLO C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289332709 279173127 /nfs/dbraw/zinc/17/31/27/279173127.db2.gz HXJAKXCHDHWBDT-CYBMUJFWSA-N 1 2 319.188 3.248 20 5 DGBDLO C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289332709 279173128 /nfs/dbraw/zinc/17/31/28/279173128.db2.gz HXJAKXCHDHWBDT-CYBMUJFWSA-N 1 2 319.188 3.248 20 5 DGBDLO Cc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1[N+](=O)[O-] ZINC000108952522 431163688 /nfs/dbraw/zinc/16/36/88/431163688.db2.gz JAGXIBWMXKOFRY-UHFFFAOYSA-N 1 2 314.389 3.323 20 5 DGBDLO O=[N+]([O-])c1ccccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340853263 280374802 /nfs/dbraw/zinc/37/48/02/280374802.db2.gz YPOSGJACLJNWHC-UHFFFAOYSA-N 1 2 314.389 3.488 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2cccs2)c([N+](=O)[O-])cc1OC ZINC000271024035 432316095 /nfs/dbraw/zinc/31/60/95/432316095.db2.gz VSSVYNLQBGCTHS-UHFFFAOYSA-N 1 2 322.386 3.306 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2cccs2)c([N+](=O)[O-])cc1OC ZINC000271024035 432316099 /nfs/dbraw/zinc/31/60/99/432316099.db2.gz VSSVYNLQBGCTHS-UHFFFAOYSA-N 1 2 322.386 3.306 20 5 DGBDLO COc1ccc(OC)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000192637858 432395240 /nfs/dbraw/zinc/39/52/40/432395240.db2.gz ZYXUVFFNTCRMHH-UHFFFAOYSA-N 1 2 316.357 3.244 20 5 DGBDLO COc1ccc(OC)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000192637858 432395245 /nfs/dbraw/zinc/39/52/45/432395245.db2.gz ZYXUVFFNTCRMHH-UHFFFAOYSA-N 1 2 316.357 3.244 20 5 DGBDLO COc1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184218527 432367853 /nfs/dbraw/zinc/36/78/53/432367853.db2.gz BIDOWXKNRCUPNY-NXEZZACHSA-N 1 2 314.382 3.068 20 5 DGBDLO COc1cc(C[N@H+]2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184218527 432367857 /nfs/dbraw/zinc/36/78/57/432367857.db2.gz BIDOWXKNRCUPNY-NXEZZACHSA-N 1 2 314.382 3.068 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)cnc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000153555192 432419479 /nfs/dbraw/zinc/41/94/79/432419479.db2.gz FJYFIJOIUDEWMB-UHFFFAOYSA-N 1 2 319.752 3.382 20 5 DGBDLO Cc1ccc([C@H](C)NC(=O)c2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000177875495 432669738 /nfs/dbraw/zinc/66/97/38/432669738.db2.gz OEJICRCXTPAZTK-LBPRGKRZSA-N 1 2 324.340 3.042 20 5 DGBDLO CC(C)[N@H+](Cc1c(Cl)cnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000189667877 432808934 /nfs/dbraw/zinc/80/89/34/432808934.db2.gz HUPMQDYCBVBEAA-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO CC(C)[N@@H+](Cc1c(Cl)cnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000189667877 432808936 /nfs/dbraw/zinc/80/89/36/432808936.db2.gz HUPMQDYCBVBEAA-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO Cc1ccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268268486 432860067 /nfs/dbraw/zinc/86/00/67/432860067.db2.gz OFJILUNTBVDXAT-XJKSGUPXSA-N 1 2 300.362 3.187 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000268196145 432854942 /nfs/dbraw/zinc/85/49/42/432854942.db2.gz LXFKEIPEOCKXEF-UHFFFAOYSA-N 1 2 320.418 3.342 20 5 DGBDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000268241980 432858159 /nfs/dbraw/zinc/85/81/59/432858159.db2.gz NAHQJGKAWPQYID-UHFFFAOYSA-N 1 2 316.386 3.244 20 5 DGBDLO Cc1nc2sccn2c1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000268241980 432858162 /nfs/dbraw/zinc/85/81/62/432858162.db2.gz NAHQJGKAWPQYID-UHFFFAOYSA-N 1 2 316.386 3.244 20 5 DGBDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330487107 432912743 /nfs/dbraw/zinc/91/27/43/432912743.db2.gz GLVKVGJVHWIRFR-LBPRGKRZSA-N 1 2 318.295 3.463 20 5 DGBDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330487107 432912746 /nfs/dbraw/zinc/91/27/46/432912746.db2.gz GLVKVGJVHWIRFR-LBPRGKRZSA-N 1 2 318.295 3.463 20 5 DGBDLO CC(C)[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332238340 432989812 /nfs/dbraw/zinc/98/98/12/432989812.db2.gz OKMZZWVXYSEYCI-CQSZACIVSA-N 1 2 320.418 3.045 20 5 DGBDLO CC(C)[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332238340 432989816 /nfs/dbraw/zinc/98/98/16/432989816.db2.gz OKMZZWVXYSEYCI-CQSZACIVSA-N 1 2 320.418 3.045 20 5 DGBDLO CCOC[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413144990 433264296 /nfs/dbraw/zinc/26/42/96/433264296.db2.gz QXWIYTVJIWOGJV-CYBMUJFWSA-N 1 2 315.373 3.396 20 5 DGBDLO C[C@@H]1CC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447809078 433285295 /nfs/dbraw/zinc/28/52/95/433285295.db2.gz ASIBZAYBGNGXPV-HIFRSBDPSA-N 1 2 319.405 3.028 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2[nH+]ccn21 ZINC000355079112 433450786 /nfs/dbraw/zinc/45/07/86/433450786.db2.gz JWLPOXXYOQVXKA-UHFFFAOYSA-N 1 2 324.340 3.420 20 5 DGBDLO Cc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC000361985110 433480702 /nfs/dbraw/zinc/48/07/02/433480702.db2.gz WVOWVPDASPVBLG-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000342312491 433609462 /nfs/dbraw/zinc/60/94/62/433609462.db2.gz JKIBWDGWYKRGAV-MRXNPFEDSA-N 1 2 322.311 3.350 20 5 DGBDLO CC[C@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000293204425 433654325 /nfs/dbraw/zinc/65/43/25/433654325.db2.gz PEHDMCGYUAIQAK-ZDUSSCGKSA-N 1 2 303.366 3.077 20 5 DGBDLO Cc1nc(NCc2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000301670037 433666479 /nfs/dbraw/zinc/66/64/79/433666479.db2.gz YNRDKTXMNGGBGN-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DGBDLO CC[C@H](COC)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301831710 433744260 /nfs/dbraw/zinc/74/42/60/433744260.db2.gz QUZPGMMVIWGRCS-CYBMUJFWSA-N 1 2 316.361 3.197 20 5 DGBDLO Cc1nn(C(C)C)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000343566136 433815655 /nfs/dbraw/zinc/81/56/55/433815655.db2.gz JHDKSMPFIYYFIG-UHFFFAOYSA-N 1 2 302.378 3.313 20 5 DGBDLO Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000343566136 433815663 /nfs/dbraw/zinc/81/56/63/433815663.db2.gz JHDKSMPFIYYFIG-UHFFFAOYSA-N 1 2 302.378 3.313 20 5 DGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000344076619 433847825 /nfs/dbraw/zinc/84/78/25/433847825.db2.gz VDGIFZVFUNCCOH-UHFFFAOYSA-N 1 2 317.364 3.432 20 5 DGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000344076619 433847837 /nfs/dbraw/zinc/84/78/37/433847837.db2.gz VDGIFZVFUNCCOH-UHFFFAOYSA-N 1 2 317.364 3.432 20 5 DGBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)[S@@]1=O ZINC000285417441 433942312 /nfs/dbraw/zinc/94/23/12/433942312.db2.gz BRLVCAXHJINBAE-RDIBJGQLSA-N 1 2 324.446 3.196 20 5 DGBDLO CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)[S@@]1=O ZINC000285417441 433942322 /nfs/dbraw/zinc/94/23/22/433942322.db2.gz BRLVCAXHJINBAE-RDIBJGQLSA-N 1 2 324.446 3.196 20 5 DGBDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363449706 434063206 /nfs/dbraw/zinc/06/32/06/434063206.db2.gz MOYOTWMKQPNTCP-BXUZGUMPSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363449706 434063215 /nfs/dbraw/zinc/06/32/15/434063215.db2.gz MOYOTWMKQPNTCP-BXUZGUMPSA-N 1 2 318.352 3.051 20 5 DGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c(F)ccc(O)c1F ZINC000353359985 434076597 /nfs/dbraw/zinc/07/65/97/434076597.db2.gz DRAPYFVCHHVXSY-UHFFFAOYSA-N 1 2 322.311 3.253 20 5 DGBDLO Cc1c(C[NH2+][C@H](C)c2c(F)cncc2F)cccc1[N+](=O)[O-] ZINC000285850598 434088708 /nfs/dbraw/zinc/08/87/08/434088708.db2.gz XAPFKKVJJQQPDF-SNVBAGLBSA-N 1 2 307.300 3.427 20 5 DGBDLO Cc1c(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000499260412 294082536 /nfs/dbraw/zinc/08/25/36/294082536.db2.gz GMFQRODCYXGHHN-UHFFFAOYSA-N 1 2 322.405 3.455 20 5 DGBDLO Cc1c(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000499260412 294082537 /nfs/dbraw/zinc/08/25/37/294082537.db2.gz GMFQRODCYXGHHN-UHFFFAOYSA-N 1 2 322.405 3.455 20 5 DGBDLO C[N@H+](CCOc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505585150 294243884 /nfs/dbraw/zinc/24/38/84/294243884.db2.gz LLCMVNCJLFXVJX-UHFFFAOYSA-N 1 2 304.321 3.245 20 5 DGBDLO C[N@@H+](CCOc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505585150 294243885 /nfs/dbraw/zinc/24/38/85/294243885.db2.gz LLCMVNCJLFXVJX-UHFFFAOYSA-N 1 2 304.321 3.245 20 5 DGBDLO CCc1nocc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000507243909 294291197 /nfs/dbraw/zinc/29/11/97/294291197.db2.gz OVHWJTQHRNMYES-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO CCc1nocc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000507243909 294291199 /nfs/dbraw/zinc/29/11/99/294291199.db2.gz OVHWJTQHRNMYES-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000450554442 434261566 /nfs/dbraw/zinc/26/15/66/434261566.db2.gz RTTPUHHOYFDSRH-NSHDSACASA-N 1 2 313.361 3.380 20 5 DGBDLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000450554442 434261576 /nfs/dbraw/zinc/26/15/76/434261576.db2.gz RTTPUHHOYFDSRH-NSHDSACASA-N 1 2 313.361 3.380 20 5 DGBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295217831 434262162 /nfs/dbraw/zinc/26/21/62/434262162.db2.gz MHSLAMNSTIMXAD-JTQLQIEISA-N 1 2 308.769 3.315 20 5 DGBDLO C[N@H+](Cc1ccoc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340674267 434285302 /nfs/dbraw/zinc/28/53/02/434285302.db2.gz GFJBDQFZLWCZID-UHFFFAOYSA-N 1 2 313.313 3.475 20 5 DGBDLO C[N@@H+](Cc1ccoc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340674267 434285310 /nfs/dbraw/zinc/28/53/10/434285310.db2.gz GFJBDQFZLWCZID-UHFFFAOYSA-N 1 2 313.313 3.475 20 5 DGBDLO Cc1cccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000437883553 434360571 /nfs/dbraw/zinc/36/05/71/434360571.db2.gz OJSQTGFSUFDDPF-UHFFFAOYSA-N 1 2 312.329 3.071 20 5 DGBDLO Cc1cccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000437883553 434360579 /nfs/dbraw/zinc/36/05/79/434360579.db2.gz OJSQTGFSUFDDPF-UHFFFAOYSA-N 1 2 312.329 3.071 20 5 DGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000521012185 294852884 /nfs/dbraw/zinc/85/28/84/294852884.db2.gz PZYCWDUIHSEZDV-UHFFFAOYSA-N 1 2 308.297 3.237 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000527054668 295074212 /nfs/dbraw/zinc/07/42/12/295074212.db2.gz CDURQKQXDVLRBH-PINLSGDHSA-N 1 2 314.345 3.218 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000527054668 295074215 /nfs/dbraw/zinc/07/42/15/295074215.db2.gz CDURQKQXDVLRBH-PINLSGDHSA-N 1 2 314.345 3.218 20 5 DGBDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)no1 ZINC000459528183 434593091 /nfs/dbraw/zinc/59/30/91/434593091.db2.gz XKOSDRNMBNECPJ-UHFFFAOYSA-N 1 2 315.251 3.200 20 5 DGBDLO Cn1c[nH+]c2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc21 ZINC000439703592 434636297 /nfs/dbraw/zinc/63/62/97/434636297.db2.gz IEZNOARLJPBZKV-UHFFFAOYSA-N 1 2 303.709 3.274 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000360668128 434662782 /nfs/dbraw/zinc/66/27/82/434662782.db2.gz DTOTVZZRRJMZGK-UHFFFAOYSA-N 1 2 313.361 3.427 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOc3c(F)ccc(F)c32)c1 ZINC000361227026 434834813 /nfs/dbraw/zinc/83/48/13/434834813.db2.gz DEGBIDABTMIOKI-CQSZACIVSA-N 1 2 320.295 3.486 20 5 DGBDLO Cn1cc[nH+]c1[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000553605250 434897172 /nfs/dbraw/zinc/89/71/72/434897172.db2.gz VUHATIRPXGPUTC-OAHLLOKOSA-N 1 2 323.356 3.440 20 5 DGBDLO Cn1c2cccc(Cl)c2[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000464355188 434984928 /nfs/dbraw/zinc/98/49/28/434984928.db2.gz WZBMYIVZKAIPTR-UHFFFAOYSA-N 1 2 316.748 3.747 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccccn3)nc2c1 ZINC000516238811 435522637 /nfs/dbraw/zinc/52/26/37/435522637.db2.gz XJXSVHDGNQIZBI-INIZCTEOSA-N 1 2 323.356 3.203 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccccn3)nc2c1 ZINC000516238811 435522644 /nfs/dbraw/zinc/52/26/44/435522644.db2.gz XJXSVHDGNQIZBI-INIZCTEOSA-N 1 2 323.356 3.203 20 5 DGBDLO Cc1nn(Cc2cn3cccc(C)c3[nH+]2)c2ccc([N+](=O)[O-])cc12 ZINC000533204845 313604832 /nfs/dbraw/zinc/60/48/32/313604832.db2.gz WZLAMDWOPFHPMN-UHFFFAOYSA-N 1 2 321.340 3.257 20 5 DGBDLO Cc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(C)c[nH+]1 ZINC000552450888 314617018 /nfs/dbraw/zinc/61/70/18/314617018.db2.gz YLDWCCWQBBIYGN-UHFFFAOYSA-N 1 2 313.357 3.206 20 5 DGBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000565162229 315236182 /nfs/dbraw/zinc/23/61/82/315236182.db2.gz HWWLSUGWPLUOMA-UHFFFAOYSA-N 1 2 316.361 3.041 20 5 DGBDLO C[C@@H]1CSCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000575893509 316073244 /nfs/dbraw/zinc/07/32/44/316073244.db2.gz IJMRTQNGFLBOAW-NSHDSACASA-N 1 2 303.387 3.332 20 5 DGBDLO Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000184848518 323375694 /nfs/dbraw/zinc/37/56/94/323375694.db2.gz MPBBHOMWDKJOFE-JTQLQIEISA-N 1 2 317.320 3.488 20 5 DGBDLO COc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430204546 534061160 /nfs/dbraw/zinc/06/11/60/534061160.db2.gz RPGILZPXJPDZGM-UHFFFAOYSA-N 1 2 316.357 3.244 20 5 DGBDLO COc1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430204546 534061170 /nfs/dbraw/zinc/06/11/70/534061170.db2.gz RPGILZPXJPDZGM-UHFFFAOYSA-N 1 2 316.357 3.244 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000432841163 534226982 /nfs/dbraw/zinc/22/69/82/534226982.db2.gz SSAWFAFEXVQZCS-NSHDSACASA-N 1 2 317.393 3.170 20 5 DGBDLO Cc1nc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)s1 ZINC000331946012 534366016 /nfs/dbraw/zinc/36/60/16/534366016.db2.gz IAPDBCFRKMSKNT-UHFFFAOYSA-N 1 2 303.387 3.226 20 5 DGBDLO Cc1nc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)s1 ZINC000331946012 534366022 /nfs/dbraw/zinc/36/60/22/534366022.db2.gz IAPDBCFRKMSKNT-UHFFFAOYSA-N 1 2 303.387 3.226 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1NCc1cn2c(cccc2C)[nH+]1 ZINC000157280130 525470601 /nfs/dbraw/zinc/47/06/01/525470601.db2.gz HPHUNNOQKYKMFV-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CCC[C@@H](O)C3)c2c1 ZINC000413164266 534885007 /nfs/dbraw/zinc/88/50/07/534885007.db2.gz QPLHCBVMTMXYIK-BXUZGUMPSA-N 1 2 301.346 3.106 20 5 DGBDLO CCC[C@@]1(CO)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413306533 527954122 /nfs/dbraw/zinc/95/41/22/527954122.db2.gz YJMVFEJVRRZTJJ-QGZVFWFLSA-N 1 2 315.373 3.132 20 5 DGBDLO CC[N@@H+](Cc1ccc(C)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746029362 575428173 /nfs/dbraw/zinc/42/81/73/575428173.db2.gz QTKKIILTYASFQW-UHFFFAOYSA-N 1 2 302.378 3.196 20 5 DGBDLO CC[N@H+](Cc1ccc(C)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746029362 575428175 /nfs/dbraw/zinc/42/81/75/575428175.db2.gz QTKKIILTYASFQW-UHFFFAOYSA-N 1 2 302.378 3.196 20 5 DGBDLO CCOc1ccc(C[N@H+](Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000746045243 575428443 /nfs/dbraw/zinc/42/84/43/575428443.db2.gz VQROXKZFLVTXEO-UHFFFAOYSA-N 1 2 318.377 3.058 20 5 DGBDLO CCOc1ccc(C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000746045243 575428446 /nfs/dbraw/zinc/42/84/46/575428446.db2.gz VQROXKZFLVTXEO-UHFFFAOYSA-N 1 2 318.377 3.058 20 5 DGBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746670430 575468273 /nfs/dbraw/zinc/46/82/73/575468273.db2.gz GSBQCDUTBZDFLL-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746670430 575468276 /nfs/dbraw/zinc/46/82/76/575468276.db2.gz GSBQCDUTBZDFLL-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC2CC1(C)C2 ZINC000852786988 620648620 /nfs/dbraw/zinc/64/86/20/620648620.db2.gz RGSRDBLCRIRROR-YLTRJXTNSA-N 1 2 323.780 3.060 20 5 DGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC2CC1(C)C2 ZINC000852786988 620648623 /nfs/dbraw/zinc/64/86/23/620648623.db2.gz RGSRDBLCRIRROR-YLTRJXTNSA-N 1 2 323.780 3.060 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000804674742 617647850 /nfs/dbraw/zinc/64/78/50/617647850.db2.gz USIZAVMCDZZXPQ-CYBMUJFWSA-N 1 2 319.748 3.301 20 5 DGBDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000854055939 620765014 /nfs/dbraw/zinc/76/50/14/620765014.db2.gz SVQWVOLNPFRDPD-UHFFFAOYSA-N 1 2 318.352 3.042 20 5 DGBDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000854055939 620765016 /nfs/dbraw/zinc/76/50/16/620765016.db2.gz SVQWVOLNPFRDPD-UHFFFAOYSA-N 1 2 318.352 3.042 20 5 DGBDLO CCNc1cc(CNc2ccc([N+](=O)[O-])c(OCC)c2)cc[nH+]1 ZINC000894869796 618483570 /nfs/dbraw/zinc/48/35/70/618483570.db2.gz FDVGYDVNMHUGOC-UHFFFAOYSA-N 1 2 316.361 3.432 20 5 DGBDLO CCn1c[nH+]cc1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841828816 618722302 /nfs/dbraw/zinc/72/23/02/618722302.db2.gz LZQZZVOBFHSINF-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO Cc1cc(NCc2nc(C[NH+](C)C)cs2)c(F)cc1[N+](=O)[O-] ZINC000895481909 618791318 /nfs/dbraw/zinc/79/13/18/618791318.db2.gz ZXLKQFCBEQINDN-UHFFFAOYSA-N 1 2 324.381 3.173 20 5 DGBDLO Cn1nc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1C1CC1 ZINC000897231804 619033316 /nfs/dbraw/zinc/03/33/16/619033316.db2.gz IDTBOUUBYZDPLJ-UHFFFAOYSA-N 1 2 320.780 3.149 20 5 DGBDLO CC[C@H]([NH2+][C@@H](C)c1nn(CC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000925231061 619087013 /nfs/dbraw/zinc/08/70/13/619087013.db2.gz RITMDYVVOQKCHQ-NHYWBVRUSA-N 1 2 317.393 3.317 20 5 DGBDLO CCCn1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000902766831 619673132 /nfs/dbraw/zinc/67/31/32/619673132.db2.gz SHFYEMCGUGHSPX-VXGBXAGGSA-N 1 2 303.366 3.008 20 5 DGBDLO C[C@@H]1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000922556907 621057345 /nfs/dbraw/zinc/05/73/45/621057345.db2.gz JYCIWMBWEGKEQQ-MLGOLLRUSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@@H]1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000922556907 621057346 /nfs/dbraw/zinc/05/73/46/621057346.db2.gz JYCIWMBWEGKEQQ-MLGOLLRUSA-N 1 2 315.373 3.037 20 5 DGBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000754266108 621499871 /nfs/dbraw/zinc/49/98/71/621499871.db2.gz HSKWISWKVLCOOG-BENRWUELSA-N 1 2 322.324 3.285 20 5 DGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000754308802 621502248 /nfs/dbraw/zinc/50/22/48/621502248.db2.gz OWBXYBYIVILVAQ-VAWYXSNFSA-N 1 2 322.324 3.285 20 5 DGBDLO C/C(=C/c1ccccc1)C[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000754854129 621537229 /nfs/dbraw/zinc/53/72/29/621537229.db2.gz AXQZBFAPQKOEKV-RAXLEYEMSA-N 1 2 314.389 3.401 20 5 DGBDLO C/C(=C/c1ccccc1)C[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000754854129 621537233 /nfs/dbraw/zinc/53/72/33/621537233.db2.gz AXQZBFAPQKOEKV-RAXLEYEMSA-N 1 2 314.389 3.401 20 5 DGBDLO C[C@@H](NCc1c[nH+]c2n1CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872069338 622788617 /nfs/dbraw/zinc/78/86/17/622788617.db2.gz MXODFRCHGCTWJB-LLVKDONJSA-N 1 2 318.352 3.118 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000779890630 623828001 /nfs/dbraw/zinc/82/80/01/623828001.db2.gz XQEFZYAJOAFVFO-ZNFPLGDCSA-N 1 2 312.373 3.235 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000779890630 623828010 /nfs/dbraw/zinc/82/80/10/623828010.db2.gz XQEFZYAJOAFVFO-ZNFPLGDCSA-N 1 2 312.373 3.235 20 5 DGBDLO C[C@@]1(F)CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000840101556 626760318 /nfs/dbraw/zinc/76/03/18/626760318.db2.gz TWJBXRRXVHDGPB-MRXNPFEDSA-N 1 2 318.352 3.240 20 5 DGBDLO C[C@@]1(F)CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000840101556 626760323 /nfs/dbraw/zinc/76/03/23/626760323.db2.gz TWJBXRRXVHDGPB-MRXNPFEDSA-N 1 2 318.352 3.240 20 5 DGBDLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000886431566 627147604 /nfs/dbraw/zinc/14/76/04/627147604.db2.gz ARQWZFFEMYFKAL-AWEZNQCLSA-N 1 2 306.387 3.130 20 5 DGBDLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000886431566 627147606 /nfs/dbraw/zinc/14/76/06/627147606.db2.gz ARQWZFFEMYFKAL-AWEZNQCLSA-N 1 2 306.387 3.130 20 5 DGBDLO O=[N+]([O-])c1cc(COc2cc[nH+]cc2)ccc1Br ZINC000814265267 627554601 /nfs/dbraw/zinc/55/46/01/627554601.db2.gz ISRUABTWUFDCBZ-UHFFFAOYSA-N 1 2 309.119 3.331 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000817366695 627890426 /nfs/dbraw/zinc/89/04/26/627890426.db2.gz YFXCVXUVEMPNPC-LLVKDONJSA-N 1 2 320.315 3.030 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000817366695 627890430 /nfs/dbraw/zinc/89/04/30/627890430.db2.gz YFXCVXUVEMPNPC-LLVKDONJSA-N 1 2 320.315 3.030 20 5 DGBDLO C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000927102474 628014624 /nfs/dbraw/zinc/01/46/24/628014624.db2.gz ZZBDANISVWKXIW-JTQLQIEISA-N 1 2 318.352 3.196 20 5 DGBDLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819409756 628149493 /nfs/dbraw/zinc/14/94/93/628149493.db2.gz VDRXJTWYBHGNMT-KRWDZBQOSA-N 1 2 315.373 3.115 20 5 DGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844395394 630724261 /nfs/dbraw/zinc/72/42/61/630724261.db2.gz DAHWRVXGQNGUIC-JTQLQIEISA-N 1 2 323.736 3.310 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284793 631160653 /nfs/dbraw/zinc/16/06/53/631160653.db2.gz NTVRKRZQKBCTQR-QWHCGFSZSA-N 1 2 317.345 3.355 20 5 DGBDLO Cc1c[nH+]c(CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c(C)c1 ZINC000848755997 631742145 /nfs/dbraw/zinc/74/21/45/631742145.db2.gz PEEJWCFORGZILS-UHFFFAOYSA-N 1 2 316.317 3.169 20 5 DGBDLO C[N@H+](CCO[C@H]1CC1(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000851821467 632503656 /nfs/dbraw/zinc/50/36/56/632503656.db2.gz VZCPYRYMKQRPBT-LBPRGKRZSA-N 1 2 320.723 3.104 20 5 DGBDLO C[N@@H+](CCO[C@H]1CC1(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000851821467 632503660 /nfs/dbraw/zinc/50/36/60/632503660.db2.gz VZCPYRYMKQRPBT-LBPRGKRZSA-N 1 2 320.723 3.104 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(Cl)n2C)cc1[N+](=O)[O-] ZINC000178448530 655997115 /nfs/dbraw/zinc/99/71/15/655997115.db2.gz AGARLQNZXIGSHN-SNVBAGLBSA-N 1 2 308.769 3.141 20 5 DGBDLO Cc1cn(C)nc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000929338659 661298969 /nfs/dbraw/zinc/29/89/69/661298969.db2.gz YBCCSFUBTUUSHX-UHFFFAOYSA-N 1 2 302.378 3.047 20 5 DGBDLO Cc1cn(C)nc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000929338659 661298971 /nfs/dbraw/zinc/29/89/71/661298971.db2.gz YBCCSFUBTUUSHX-UHFFFAOYSA-N 1 2 302.378 3.047 20 5 DGBDLO COc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1C ZINC000933484139 661636318 /nfs/dbraw/zinc/63/63/18/661636318.db2.gz APJPKDYUDJTQGO-SNVBAGLBSA-N 1 2 305.334 3.059 20 5 DGBDLO Cc1cc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001597956284 1192756501 /nfs/dbraw/zinc/75/65/01/1192756501.db2.gz SKMSGEGNHKERTG-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC001333467792 1178610406 /nfs/dbraw/zinc/61/04/06/1178610406.db2.gz SFNFXEWNLKBZRT-INIZCTEOSA-N 1 2 302.374 3.260 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC001333467792 1178610408 /nfs/dbraw/zinc/61/04/08/1178610408.db2.gz SFNFXEWNLKBZRT-INIZCTEOSA-N 1 2 302.374 3.260 20 5 DGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC001348424333 1179835246 /nfs/dbraw/zinc/83/52/46/1179835246.db2.gz GECQXKIXAGVMDO-UHFFFAOYSA-N 1 2 316.361 3.041 20 5 DGBDLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430201 1181524533 /nfs/dbraw/zinc/52/45/33/1181524533.db2.gz XBEBNYOLHUQQJA-BDAKNGLRSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430201 1181524535 /nfs/dbraw/zinc/52/45/35/1181524535.db2.gz XBEBNYOLHUQQJA-BDAKNGLRSA-N 1 2 319.188 3.104 20 5 DGBDLO O=[N+]([O-])c1cccc(Br)c1C[NH2+]Cc1ccoc1 ZINC001461091504 1182766129 /nfs/dbraw/zinc/76/61/29/1182766129.db2.gz VTIGBHXIJQAVGT-UHFFFAOYSA-N 1 2 311.135 3.240 20 5 DGBDLO CNc1cc(CNc2ccc3cnccc3c2[N+](=O)[O-])cc[nH+]1 ZINC001472883331 1183695080 /nfs/dbraw/zinc/69/50/80/1183695080.db2.gz POZUHNKXMIMWBL-UHFFFAOYSA-N 1 2 309.329 3.192 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001528000667 1187461921 /nfs/dbraw/zinc/46/19/21/1187461921.db2.gz WLKMYNVXSNZGLO-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(N(C)C)[nH+]c1 ZINC001560392541 1189322865 /nfs/dbraw/zinc/32/28/65/1189322865.db2.gz OBQVMRAYVKOLCS-UHFFFAOYSA-N 1 2 300.362 3.285 20 5 DGBDLO O=[N+]([O-])c1ccc(CCNc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001560703272 1189363254 /nfs/dbraw/zinc/36/32/54/1189363254.db2.gz DDWVJBAGTRZERS-UHFFFAOYSA-N 1 2 308.341 3.435 20 5 DGBDLO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC001644986836 1195148487 /nfs/dbraw/zinc/14/84/87/1195148487.db2.gz VXMUEXTXFTWZBM-ZDUSSCGKSA-N 1 2 318.348 3.289 20 5 DGBDLO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC001644986836 1195148490 /nfs/dbraw/zinc/14/84/90/1195148490.db2.gz VXMUEXTXFTWZBM-ZDUSSCGKSA-N 1 2 318.348 3.289 20 5 DGBDLO CNc1ccc(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)c[nH+]1 ZINC001651652268 1195492162 /nfs/dbraw/zinc/49/21/62/1195492162.db2.gz SUNAFEZKVCWRFN-UHFFFAOYSA-N 1 2 313.239 3.189 20 5 DGBDLO Cc1cccc2[nH+]c(CCNc3ccc(F)cc3[N+](=O)[O-])cn21 ZINC001652001974 1195535694 /nfs/dbraw/zinc/53/56/94/1195535694.db2.gz NUDONVRMBFBOPN-UHFFFAOYSA-N 1 2 314.320 3.345 20 5 DGBDLO CC(C)c1[nH]cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH+]1 ZINC001652743803 1195644396 /nfs/dbraw/zinc/64/43/96/1195644396.db2.gz WZMYEPUFRQFMGU-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO CC(C)c1[nH]c(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c[nH+]1 ZINC001652743803 1195644401 /nfs/dbraw/zinc/64/44/01/1195644401.db2.gz WZMYEPUFRQFMGU-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccns1 ZINC001655247713 1195895186 /nfs/dbraw/zinc/89/51/86/1195895186.db2.gz QWWMBSNHEBOENJ-MRVPVSSYSA-N 1 2 304.331 3.043 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2cccc2C1 ZINC001655539473 1195929282 /nfs/dbraw/zinc/92/92/82/1195929282.db2.gz RZHPOGRNSGUWMO-UHFFFAOYSA-N 1 2 315.373 3.199 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2cccc2C1 ZINC001655539473 1195929288 /nfs/dbraw/zinc/92/92/88/1195929288.db2.gz RZHPOGRNSGUWMO-UHFFFAOYSA-N 1 2 315.373 3.199 20 5 DGBDLO O=[N+]([O-])c1ccc(CCNc2ccc(N3CCCC3)c[nH+]2)cc1 ZINC001659503445 1196389376 /nfs/dbraw/zinc/38/93/76/1196389376.db2.gz GIEVTORTZXOXTA-UHFFFAOYSA-N 1 2 312.373 3.245 20 5 DGBDLO O=[N+]([O-])c1c(NCCCNc2cccc[nH+]2)ccc2cnccc21 ZINC001162177057 1089591642 /nfs/dbraw/zinc/59/16/42/1089591642.db2.gz PJGKNALFEAEYRW-UHFFFAOYSA-N 1 2 323.356 3.452 20 5 DGBDLO CNc1ccc(-n2c3ccccc3cc3c(=O)c(N)ccc2-3)c[nH+]1 ZINC001203462236 1090738293 /nfs/dbraw/zinc/73/82/93/1090738293.db2.gz LKYRJSXUNCHGGB-UHFFFAOYSA-N 1 2 316.364 3.114 20 5 DGBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1Cl)n1cc[nH+]c1 ZINC001128952051 1091115279 /nfs/dbraw/zinc/11/52/79/1091115279.db2.gz VMNRUESPFKCHIE-SECBINFHSA-N 1 2 308.725 3.035 20 5 DGBDLO O=[N+]([O-])c1cc(NCCc2cn3ccccc3[nH+]2)cc2cc[nH]c21 ZINC001169003402 1092483764 /nfs/dbraw/zinc/48/37/64/1092483764.db2.gz FCSGVODMTOBKJT-UHFFFAOYSA-N 1 2 321.340 3.378 20 5 DGBDLO Nc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC001209935858 1092987129 /nfs/dbraw/zinc/98/71/29/1092987129.db2.gz YPTBGIAFTIYSEI-UHFFFAOYSA-N 1 2 303.709 3.222 20 5 DGBDLO Cc1cc(C)c(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)c[nH+]1 ZINC001213520493 1093603198 /nfs/dbraw/zinc/60/31/98/1093603198.db2.gz CBNHPIXBMVFXGM-UHFFFAOYSA-N 1 2 316.364 3.085 20 5 DGBDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001336648008 1094686088 /nfs/dbraw/zinc/68/60/88/1094686088.db2.gz UCQPHWJVORILJF-SECBINFHSA-N 1 2 314.267 3.311 20 5 DGBDLO O=[N+]([O-])c1ccc([C@H](OCCn2cc[nH+]c2)C(F)(F)F)cc1 ZINC001222139730 1095451237 /nfs/dbraw/zinc/45/12/37/1095451237.db2.gz VPNYZVRGBCQZIP-LBPRGKRZSA-N 1 2 315.251 3.112 20 5 DGBDLO CCC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](CCF)CC1 ZINC001229179138 1097272373 /nfs/dbraw/zinc/27/23/73/1097272373.db2.gz HNKGPUIWRXBFCY-UHFFFAOYSA-N 1 2 324.352 3.000 20 5 DGBDLO Cc1cc([N+](=O)[O-])c(C)cc1OC1C[NH+](Cc2ccccc2)C1 ZINC001230723119 1097567056 /nfs/dbraw/zinc/56/70/56/1097567056.db2.gz DWINYALZMPNIRC-UHFFFAOYSA-N 1 2 312.369 3.475 20 5 DGBDLO C[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccccc1[N+](=O)[O-] ZINC001179511864 1099128749 /nfs/dbraw/zinc/12/87/49/1099128749.db2.gz HZTMFSMJJPSJCB-SNVBAGLBSA-N 1 2 313.313 3.292 20 5 DGBDLO Cc1cc(NCc2[nH]c3c([nH+]2)CCCC3)c(F)cc1[N+](=O)[O-] ZINC001187717590 1099585838 /nfs/dbraw/zinc/58/58/38/1099585838.db2.gz WKPFSYMTGVFDPA-UHFFFAOYSA-N 1 2 304.325 3.256 20 5 DGBDLO CCOc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001201425254 1102588516 /nfs/dbraw/zinc/58/85/16/1102588516.db2.gz OWOORKRUAHNJBK-UHFFFAOYSA-N 1 2 321.764 3.332 20 5 DGBDLO C[C@H](O)[C@H]([NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001249074340 1105220984 /nfs/dbraw/zinc/22/09/84/1105220984.db2.gz SJLFNBRMSRSBGT-GTNSWQLSSA-N 1 2 319.364 3.424 20 5 DGBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)c1ccccn1 ZINC001254539359 1106098866 /nfs/dbraw/zinc/09/88/66/1106098866.db2.gz DIYQYZUZQSVHEN-LBPRGKRZSA-N 1 2 321.327 3.302 20 5 DGBDLO CC[C@@H](C)c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001322889251 1107775604 /nfs/dbraw/zinc/77/56/04/1107775604.db2.gz OZCKPSHMBLBJIU-SNVBAGLBSA-N 1 2 313.317 3.344 20 5 DGBDLO Cc1cc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])s1 ZINC001306924338 1111251229 /nfs/dbraw/zinc/25/12/29/1111251229.db2.gz FABZKLWMXOMCOY-UHFFFAOYSA-N 1 2 302.359 3.267 20 5 DGBDLO Cc1cc2[nH+]cn(CC(=O)c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000082152539 192362517 /nfs/dbraw/zinc/36/25/17/192362517.db2.gz JCVHXSJLNWSJML-UHFFFAOYSA-N 1 2 309.325 3.444 20 5 DGBDLO CCc1nc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000430214708 529745255 /nfs/dbraw/zinc/74/52/55/529745255.db2.gz BDWDGQKXYURCAR-SNVBAGLBSA-N 1 2 321.402 3.473 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000181839635 199360048 /nfs/dbraw/zinc/36/00/48/199360048.db2.gz LHMFBEDFELWMNF-NSHDSACASA-N 1 2 318.377 3.435 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000066847875 432022609 /nfs/dbraw/zinc/02/26/09/432022609.db2.gz FJMLGLXVMFWLHC-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000066847875 432022611 /nfs/dbraw/zinc/02/26/11/432022611.db2.gz FJMLGLXVMFWLHC-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066845989 432022623 /nfs/dbraw/zinc/02/26/23/432022623.db2.gz WUDXXOLSRDCJCX-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066845989 432022625 /nfs/dbraw/zinc/02/26/25/432022625.db2.gz WUDXXOLSRDCJCX-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO COCc1nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000267813114 186364791 /nfs/dbraw/zinc/36/47/91/186364791.db2.gz WEFZZKOGMAJGCL-NSHDSACASA-N 1 2 321.402 3.357 20 5 DGBDLO CCCc1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000067458444 432031169 /nfs/dbraw/zinc/03/11/69/432031169.db2.gz JPEZYFBIVXNHIO-UHFFFAOYSA-N 1 2 318.377 3.341 20 5 DGBDLO CCCc1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000067458444 432031172 /nfs/dbraw/zinc/03/11/72/432031172.db2.gz JPEZYFBIVXNHIO-UHFFFAOYSA-N 1 2 318.377 3.341 20 5 DGBDLO C[C@@H]1CSCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179206076 432049969 /nfs/dbraw/zinc/04/99/69/432049969.db2.gz XALXWQJLRZAGGR-LLVKDONJSA-N 1 2 319.386 3.187 20 5 DGBDLO C[C@@H]1CSCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179206076 432049973 /nfs/dbraw/zinc/04/99/73/432049973.db2.gz XALXWQJLRZAGGR-LLVKDONJSA-N 1 2 319.386 3.187 20 5 DGBDLO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cnccn1 ZINC000179659788 432066883 /nfs/dbraw/zinc/06/68/83/432066883.db2.gz FIDBMLXRNIZEFG-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cnccn1 ZINC000179659788 432066885 /nfs/dbraw/zinc/06/68/85/432066885.db2.gz FIDBMLXRNIZEFG-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cnccn1 ZINC000179659046 432066915 /nfs/dbraw/zinc/06/69/15/432066915.db2.gz HBDIMXOKOITJDQ-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cnccn1 ZINC000179659046 432066916 /nfs/dbraw/zinc/06/69/16/432066916.db2.gz HBDIMXOKOITJDQ-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO O=C(C[N@@H+]1CCCC2(CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186990357 200044687 /nfs/dbraw/zinc/04/46/87/200044687.db2.gz NJLFUIFBRVVOKA-UHFFFAOYSA-N 1 2 323.780 3.063 20 5 DGBDLO O=C(C[N@H+]1CCCC2(CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186990357 200044689 /nfs/dbraw/zinc/04/46/89/200044689.db2.gz NJLFUIFBRVVOKA-UHFFFAOYSA-N 1 2 323.780 3.063 20 5 DGBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000237606120 202300968 /nfs/dbraw/zinc/30/09/68/202300968.db2.gz XSAHQDSYIPTVGO-JTQLQIEISA-N 1 2 304.350 3.126 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1 ZINC000430017794 238064546 /nfs/dbraw/zinc/06/45/46/238064546.db2.gz BOVBLEHEXVGWHF-UHFFFAOYSA-N 1 2 314.238 3.441 20 5 DGBDLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000292627846 223175836 /nfs/dbraw/zinc/17/58/36/223175836.db2.gz NXKORRJTVIHSHV-LBPRGKRZSA-N 1 2 316.336 3.128 20 5 DGBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000444703618 239328676 /nfs/dbraw/zinc/32/86/76/239328676.db2.gz ZMZQUSDQFMLHNI-UHFFFAOYSA-N 1 2 322.368 3.338 20 5 DGBDLO Cc1ccc2c(c1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000444703618 239328684 /nfs/dbraw/zinc/32/86/84/239328684.db2.gz ZMZQUSDQFMLHNI-UHFFFAOYSA-N 1 2 322.368 3.338 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](C2CC2)C2COC2)o1 ZINC000449350994 240148589 /nfs/dbraw/zinc/14/85/89/240148589.db2.gz MZVUMGQACCRUKG-UHFFFAOYSA-N 1 2 314.341 3.218 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](C2CC2)C2COC2)o1 ZINC000449350994 240148596 /nfs/dbraw/zinc/14/85/96/240148596.db2.gz MZVUMGQACCRUKG-UHFFFAOYSA-N 1 2 314.341 3.218 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nccn1CC ZINC000449562651 240291430 /nfs/dbraw/zinc/29/14/30/240291430.db2.gz MTOVSOBGHOFISW-GFCCVEGCSA-N 1 2 318.377 3.061 20 5 DGBDLO COc1cc[nH+]c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135229314 432106257 /nfs/dbraw/zinc/10/62/57/432106257.db2.gz LJUBIDKHKXOQHL-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135229314 432106263 /nfs/dbraw/zinc/10/62/63/432106263.db2.gz LJUBIDKHKXOQHL-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135229314 432106265 /nfs/dbraw/zinc/10/62/65/432106265.db2.gz LJUBIDKHKXOQHL-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000452335419 241388159 /nfs/dbraw/zinc/38/81/59/241388159.db2.gz PZXJJIWDHLTXPO-UHFFFAOYSA-N 1 2 320.736 3.033 20 5 DGBDLO COC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000119858699 284154095 /nfs/dbraw/zinc/15/40/95/284154095.db2.gz NWNRSYLQYATNSK-GFCCVEGCSA-N 1 2 310.737 3.319 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000093841385 193316427 /nfs/dbraw/zinc/31/64/27/193316427.db2.gz IRIDZOYLNIWZLU-INIZCTEOSA-N 1 2 302.330 3.070 20 5 DGBDLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000093841385 193316430 /nfs/dbraw/zinc/31/64/30/193316430.db2.gz IRIDZOYLNIWZLU-INIZCTEOSA-N 1 2 302.330 3.070 20 5 DGBDLO Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000127681358 284348285 /nfs/dbraw/zinc/34/82/85/284348285.db2.gz ZCOTXQRYJGWMNK-LLVKDONJSA-N 1 2 317.370 3.418 20 5 DGBDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282972673 217360861 /nfs/dbraw/zinc/36/08/61/217360861.db2.gz CXJDMXMPRCZQMI-UHFFFAOYSA-N 1 2 311.744 3.358 20 5 DGBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282972673 217360863 /nfs/dbraw/zinc/36/08/63/217360863.db2.gz CXJDMXMPRCZQMI-UHFFFAOYSA-N 1 2 311.744 3.358 20 5 DGBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000493631518 246027839 /nfs/dbraw/zinc/02/78/39/246027839.db2.gz CUTBOJJAOKRTAQ-MRXNPFEDSA-N 1 2 320.776 3.414 20 5 DGBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000493631518 246027843 /nfs/dbraw/zinc/02/78/43/246027843.db2.gz CUTBOJJAOKRTAQ-MRXNPFEDSA-N 1 2 320.776 3.414 20 5 DGBDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000267625373 206182044 /nfs/dbraw/zinc/18/20/44/206182044.db2.gz MIGTVNZVTMTVAH-LLVKDONJSA-N 1 2 321.402 3.357 20 5 DGBDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000105895899 194162193 /nfs/dbraw/zinc/16/21/93/194162193.db2.gz DXPDZTFSMKQQKA-CYBMUJFWSA-N 1 2 320.418 3.344 20 5 DGBDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000105895899 194162196 /nfs/dbraw/zinc/16/21/96/194162196.db2.gz DXPDZTFSMKQQKA-CYBMUJFWSA-N 1 2 320.418 3.344 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)cc1[N+](=O)[O-] ZINC000120014702 195080217 /nfs/dbraw/zinc/08/02/17/195080217.db2.gz QEWRPFJYWJTURB-UHFFFAOYSA-N 1 2 323.780 3.227 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)cc1[N+](=O)[O-] ZINC000120014702 195080218 /nfs/dbraw/zinc/08/02/18/195080218.db2.gz QEWRPFJYWJTURB-UHFFFAOYSA-N 1 2 323.780 3.227 20 5 DGBDLO COCc1cc([N+](=O)[O-])ccc1NCCc1cc[nH+]cc1C ZINC000270038557 208092736 /nfs/dbraw/zinc/09/27/36/208092736.db2.gz ZMGYXUYZTDKUOA-UHFFFAOYSA-N 1 2 301.346 3.099 20 5 DGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337082591 253044814 /nfs/dbraw/zinc/04/48/14/253044814.db2.gz ZPXIHDGJIQBPQL-UHFFFAOYSA-N 1 2 322.324 3.092 20 5 DGBDLO CC(C)CCOC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000338912745 253368449 /nfs/dbraw/zinc/36/84/49/253368449.db2.gz RRABPGYQXGHLNR-UHFFFAOYSA-N 1 2 322.405 3.328 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOCC23CC3)o1 ZINC000338996517 253386034 /nfs/dbraw/zinc/38/60/34/253386034.db2.gz LDCWYMGRYSZDEQ-UHFFFAOYSA-N 1 2 314.341 3.220 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOCC23CC3)o1 ZINC000338996517 253386036 /nfs/dbraw/zinc/38/60/36/253386036.db2.gz LDCWYMGRYSZDEQ-UHFFFAOYSA-N 1 2 314.341 3.220 20 5 DGBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000255537607 285162265 /nfs/dbraw/zinc/16/22/65/285162265.db2.gz CZANOPXNUBCGOQ-XQRVVYSFSA-N 1 2 322.315 3.332 20 5 DGBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000255537607 285162267 /nfs/dbraw/zinc/16/22/67/285162267.db2.gz CZANOPXNUBCGOQ-XQRVVYSFSA-N 1 2 322.315 3.332 20 5 DGBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000154977569 197009811 /nfs/dbraw/zinc/00/98/11/197009811.db2.gz CZANOPXNUBCGOQ-GQCTYLIASA-N 1 2 322.315 3.332 20 5 DGBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000154977569 197009813 /nfs/dbraw/zinc/00/98/13/197009813.db2.gz CZANOPXNUBCGOQ-GQCTYLIASA-N 1 2 322.315 3.332 20 5 DGBDLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289490604 221013029 /nfs/dbraw/zinc/01/30/29/221013029.db2.gz JJHJQFKISOWWMJ-RKDXNWHRSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289490604 221013031 /nfs/dbraw/zinc/01/30/31/221013031.db2.gz JJHJQFKISOWWMJ-RKDXNWHRSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289490599 221013978 /nfs/dbraw/zinc/01/39/78/221013978.db2.gz JJHJQFKISOWWMJ-DTWKUNHWSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289490599 221013979 /nfs/dbraw/zinc/01/39/79/221013979.db2.gz JJHJQFKISOWWMJ-DTWKUNHWSA-N 1 2 319.188 3.104 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000289892375 221297179 /nfs/dbraw/zinc/29/71/79/221297179.db2.gz MNVHCTVSEGXNDV-VIFPVBQESA-N 1 2 319.188 3.106 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000289892375 221297181 /nfs/dbraw/zinc/29/71/81/221297181.db2.gz MNVHCTVSEGXNDV-VIFPVBQESA-N 1 2 319.188 3.106 20 5 DGBDLO COc1cc(CNc2cc(C3CC3)cc[nH+]2)cc([N+](=O)[O-])c1O ZINC000289969833 221349057 /nfs/dbraw/zinc/34/90/57/221349057.db2.gz YUZQKMRPPYFJMF-UHFFFAOYSA-N 1 2 315.329 3.194 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000121094933 195292795 /nfs/dbraw/zinc/29/27/95/195292795.db2.gz DAVZZFKEGUINIE-NSHDSACASA-N 1 2 300.318 3.181 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000470181058 533407461 /nfs/dbraw/zinc/40/74/61/533407461.db2.gz XKDLXFJJJNEKMD-KADHNRKRSA-N 1 2 320.389 3.270 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000470181058 533407465 /nfs/dbraw/zinc/40/74/65/533407465.db2.gz XKDLXFJJJNEKMD-KADHNRKRSA-N 1 2 320.389 3.270 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000319353083 533540918 /nfs/dbraw/zinc/54/09/18/533540918.db2.gz QZOJZPNLZUYEML-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000319353083 533540926 /nfs/dbraw/zinc/54/09/26/533540926.db2.gz QZOJZPNLZUYEML-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000007454172 400104872 /nfs/dbraw/zinc/10/48/72/400104872.db2.gz NMTUOKIXHPEWCY-UHFFFAOYSA-N 1 2 324.340 3.200 20 5 DGBDLO Cc1noc(C[NH2+]C2(c3ccccc3F)CCC2)c1[N+](=O)[O-] ZINC000595562019 400189147 /nfs/dbraw/zinc/18/91/47/400189147.db2.gz IDRGPMHMNLGDPE-UHFFFAOYSA-N 1 2 305.309 3.199 20 5 DGBDLO Cc1noc(C[N@H+](Cc2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC000595297571 400121943 /nfs/dbraw/zinc/12/19/43/400121943.db2.gz WOBRROXQTBNIKB-UHFFFAOYSA-N 1 2 307.325 3.441 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC000595297571 400121951 /nfs/dbraw/zinc/12/19/51/400121951.db2.gz WOBRROXQTBNIKB-UHFFFAOYSA-N 1 2 307.325 3.441 20 5 DGBDLO Cc1noc(C[N@H+](Cc2ccccc2C)C2CC2)c1[N+](=O)[O-] ZINC000595296749 400122132 /nfs/dbraw/zinc/12/21/32/400122132.db2.gz ILZDOCJDHDTVIU-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2ccccc2C)C2CC2)c1[N+](=O)[O-] ZINC000595296749 400122139 /nfs/dbraw/zinc/12/21/39/400122139.db2.gz 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ZINC000595500167 400169241 /nfs/dbraw/zinc/16/92/41/400169241.db2.gz XMPQBHFATYHNAS-CQSZACIVSA-N 1 2 319.361 3.483 20 5 DGBDLO CCOc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000610515242 400269116 /nfs/dbraw/zinc/26/91/16/400269116.db2.gz MBAYJACJRFZBBH-CQSZACIVSA-N 1 2 316.361 3.032 20 5 DGBDLO CC(C)([NH2+]Cc1n[nH]c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000610575182 400275954 /nfs/dbraw/zinc/27/59/54/400275954.db2.gz LDUXBRKVBFDJJV-UHFFFAOYSA-N 1 2 310.357 3.496 20 5 DGBDLO Cc1cc(N2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])s1 ZINC000596067073 400309050 /nfs/dbraw/zinc/30/90/50/400309050.db2.gz KJBPBROLYRWGCQ-UHFFFAOYSA-N 1 2 323.443 3.348 20 5 DGBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596079820 400310830 /nfs/dbraw/zinc/31/08/30/400310830.db2.gz ZHSAAJDVLLDNAT-SECBINFHSA-N 1 2 314.267 3.311 20 5 DGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000029914271 400317868 /nfs/dbraw/zinc/31/78/68/400317868.db2.gz PBZDYQRWCSYOPX-UHFFFAOYSA-N 1 2 308.297 3.033 20 5 DGBDLO Cc1cc2[nH+]cn(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000026474371 400258839 /nfs/dbraw/zinc/25/88/39/400258839.db2.gz BBEAUJHOJYMIHF-QGZVFWFLSA-N 1 2 311.341 3.295 20 5 DGBDLO Cc1cc2[nH+]cn(C[C@H](O)c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000026474379 400259462 /nfs/dbraw/zinc/25/94/62/400259462.db2.gz BBEAUJHOJYMIHF-KRWDZBQOSA-N 1 2 311.341 3.295 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH+]2CC(Cc3ccc(F)cc3)C2)cs1 ZINC000611173089 400353877 /nfs/dbraw/zinc/35/38/77/400353877.db2.gz UAHVXRCLPIBIJU-UHFFFAOYSA-N 1 2 306.362 3.470 20 5 DGBDLO COc1cc(NCCc2cccc(C)[nH+]2)c([N+](=O)[O-])cc1C ZINC000596224664 400355085 /nfs/dbraw/zinc/35/50/85/400355085.db2.gz YHKHLSXPISUZHA-UHFFFAOYSA-N 1 2 301.346 3.270 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCc3c[nH]nc3C2)o1 ZINC000611273675 400371149 /nfs/dbraw/zinc/37/11/49/400371149.db2.gz LWHXLZNARZDKIM-UHFFFAOYSA-N 1 2 324.340 3.136 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCc3c[nH]nc3C2)o1 ZINC000611273675 400371154 /nfs/dbraw/zinc/37/11/54/400371154.db2.gz LWHXLZNARZDKIM-UHFFFAOYSA-N 1 2 324.340 3.136 20 5 DGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611561515 400422405 /nfs/dbraw/zinc/42/24/05/400422405.db2.gz UUQWAXIMZXTRFZ-MWLCHTKSSA-N 1 2 318.295 3.463 20 5 DGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611561515 400422407 /nfs/dbraw/zinc/42/24/07/400422407.db2.gz UUQWAXIMZXTRFZ-MWLCHTKSSA-N 1 2 318.295 3.463 20 5 DGBDLO Cc1ccncc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611939332 400466709 /nfs/dbraw/zinc/46/67/09/400466709.db2.gz IKUCWHBQIIAENE-NSHDSACASA-N 1 2 312.329 3.290 20 5 DGBDLO Cc1nc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)sc1C ZINC000602556421 400495249 /nfs/dbraw/zinc/49/52/49/400495249.db2.gz GJXFFSYQWXICCB-UHFFFAOYSA-N 1 2 318.358 3.099 20 5 DGBDLO CCCn1nccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596979710 400532922 /nfs/dbraw/zinc/53/29/22/400532922.db2.gz MEFIUCCHOQOCBV-UHFFFAOYSA-N 1 2 314.389 3.366 20 5 DGBDLO CCCn1nccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596979710 400532927 /nfs/dbraw/zinc/53/29/27/400532927.db2.gz MEFIUCCHOQOCBV-UHFFFAOYSA-N 1 2 314.389 3.366 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)nc1C ZINC000602689272 400539599 /nfs/dbraw/zinc/53/95/99/400539599.db2.gz BGFNGPZDNGRTQT-UHFFFAOYSA-N 1 2 312.329 3.038 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832367 400613118 /nfs/dbraw/zinc/61/31/18/400613118.db2.gz HLBBAIOLIGOKAR-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832367 400613122 /nfs/dbraw/zinc/61/31/22/400613122.db2.gz HLBBAIOLIGOKAR-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000602935855 400611171 /nfs/dbraw/zinc/61/11/71/400611171.db2.gz AIHKWPQXHHYHAF-UHFFFAOYSA-N 1 2 318.377 3.046 20 5 DGBDLO Cc1n[nH]cc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000602935855 400611175 /nfs/dbraw/zinc/61/11/75/400611175.db2.gz 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400813973 /nfs/dbraw/zinc/81/39/73/400813973.db2.gz SBIZIPLRJWQQMF-UHFFFAOYSA-N 1 2 306.387 3.476 20 5 DGBDLO Cc1cccc(OCC[N@H+](C)Cc2csc([N+](=O)[O-])c2)c1 ZINC000054172932 400813981 /nfs/dbraw/zinc/81/39/81/400813981.db2.gz SBIZIPLRJWQQMF-UHFFFAOYSA-N 1 2 306.387 3.476 20 5 DGBDLO Cc1cc(NC[C@@H](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508409 400783005 /nfs/dbraw/zinc/78/30/05/400783005.db2.gz ZFHWFFBCGXJYEB-LLVKDONJSA-N 1 2 312.373 3.240 20 5 DGBDLO CC[C@@H](C)[C@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043982 400936496 /nfs/dbraw/zinc/93/64/96/400936496.db2.gz QMAQOBCMHMVZTQ-BDJLRTHQSA-N 1 2 303.362 3.352 20 5 DGBDLO CC(C)(C)C[C@@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599048768 400937929 /nfs/dbraw/zinc/93/79/29/400937929.db2.gz ODLCFPREBWXPFE-GFCCVEGCSA-N 1 2 303.362 3.352 20 5 DGBDLO CC(C)(C)C[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599048769 400938554 /nfs/dbraw/zinc/93/85/54/400938554.db2.gz ODLCFPREBWXPFE-LBPRGKRZSA-N 1 2 303.362 3.352 20 5 DGBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C)S1 ZINC000599050092 400939259 /nfs/dbraw/zinc/93/92/59/400939259.db2.gz VRUQAJTUJIWEJR-GHMZBOCLSA-N 1 2 303.387 3.473 20 5 DGBDLO CCOC(=O)CC[C@@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599063664 400945085 /nfs/dbraw/zinc/94/50/85/400945085.db2.gz HBGFRVPMMFAFBQ-LLVKDONJSA-N 1 2 317.345 3.287 20 5 DGBDLO COC[C@H]1CCCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599067185 400946669 /nfs/dbraw/zinc/94/66/69/400946669.db2.gz CZBHSVCNJGEYMH-ZDUSSCGKSA-N 1 2 315.373 3.396 20 5 DGBDLO CCC(F)(F)CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599068108 400948757 /nfs/dbraw/zinc/94/87/57/400948757.db2.gz CSSZJRORUWJALP-ZDUSSCGKSA-N 1 2 324.331 3.053 20 5 DGBDLO C[C@@H]1COCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599081282 400953679 /nfs/dbraw/zinc/95/36/79/400953679.db2.gz KYMKDSGWRCXSBL-VXGBXAGGSA-N 1 2 301.346 3.228 20 5 DGBDLO O=[N+]([O-])c1c(NCCO[C@H]2CCCCO2)ccc2c[nH+]ccc21 ZINC000599079232 400954076 /nfs/dbraw/zinc/95/40/76/400954076.db2.gz CYHIOCCZDZFLHX-HNNXBMFYSA-N 1 2 317.345 3.098 20 5 DGBDLO O=[N+]([O-])c1c2ccncc2ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000599035835 400934760 /nfs/dbraw/zinc/93/47/60/400934760.db2.gz OCDNSLZVOFZKMW-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](CCO)CC1 ZINC000599094062 400959063 /nfs/dbraw/zinc/95/90/63/400959063.db2.gz YYCRDNLIUACNQM-CYBMUJFWSA-N 1 2 315.373 3.132 20 5 DGBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000599101439 400960467 /nfs/dbraw/zinc/96/04/67/400960467.db2.gz PXLJNZMSUVDDMA-NSHDSACASA-N 1 2 318.764 3.341 20 5 DGBDLO Cc1cc[nH+]c([C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000599104000 400961616 /nfs/dbraw/zinc/96/16/16/400961616.db2.gz ZANVTJBCDKVSIJ-GFCCVEGCSA-N 1 2 301.321 3.431 20 5 DGBDLO CC1(C)OCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599110631 400963196 /nfs/dbraw/zinc/96/31/96/400963196.db2.gz DGSCYUCTCRTRBD-LBPRGKRZSA-N 1 2 301.346 3.370 20 5 DGBDLO O=[N+]([O-])c1c(F)cccc1NCCc1cn2ccccc2[nH+]1 ZINC000057137299 400974036 /nfs/dbraw/zinc/97/40/36/400974036.db2.gz RAMRMXFMJODXEQ-UHFFFAOYSA-N 1 2 300.293 3.036 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(F)c1 ZINC000599553384 401075320 /nfs/dbraw/zinc/07/53/20/401075320.db2.gz RRXYQRIDCLLGDQ-MNOVXSKESA-N 1 2 314.357 3.343 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(F)c1 ZINC000599553384 401075324 /nfs/dbraw/zinc/07/53/24/401075324.db2.gz RRXYQRIDCLLGDQ-MNOVXSKESA-N 1 2 314.357 3.343 20 5 DGBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000255507022 401104911 /nfs/dbraw/zinc/10/49/11/401104911.db2.gz LYUVAUZQKHHWPQ-OMVNSRBRSA-N 1 2 312.373 3.211 20 5 DGBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000255507022 401104912 /nfs/dbraw/zinc/10/49/12/401104912.db2.gz LYUVAUZQKHHWPQ-OMVNSRBRSA-N 1 2 312.373 3.211 20 5 DGBDLO Cc1c[nH+]c(CCNc2ncc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000594597446 401123545 /nfs/dbraw/zinc/12/35/45/401123545.db2.gz ULRJAORPVOSQOD-UHFFFAOYSA-N 1 2 306.753 3.310 20 5 DGBDLO Cc1[nH]c(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH+]c1C ZINC000600110614 401181973 /nfs/dbraw/zinc/18/19/73/401181973.db2.gz BIORGKRKUYNYBL-UHFFFAOYSA-N 1 2 302.378 3.345 20 5 DGBDLO Cc1nc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]c1C ZINC000600110614 401181978 /nfs/dbraw/zinc/18/19/78/401181978.db2.gz BIORGKRKUYNYBL-UHFFFAOYSA-N 1 2 302.378 3.345 20 5 DGBDLO Cc1nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]c1C ZINC000600110614 401181980 /nfs/dbraw/zinc/18/19/80/401181980.db2.gz BIORGKRKUYNYBL-UHFFFAOYSA-N 1 2 302.378 3.345 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000359303157 286278907 /nfs/dbraw/zinc/27/89/07/286278907.db2.gz JEXHEEZQEOXFQH-UHFFFAOYSA-N 1 2 324.340 3.351 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCc2occc2C1 ZINC000344240493 286383930 /nfs/dbraw/zinc/38/39/30/286383930.db2.gz CHZLGWZFVJGLAV-UHFFFAOYSA-N 1 2 302.330 3.145 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCc2occc2C1 ZINC000344240493 286383932 /nfs/dbraw/zinc/38/39/32/286383932.db2.gz CHZLGWZFVJGLAV-UHFFFAOYSA-N 1 2 302.330 3.145 20 5 DGBDLO Cc1[nH+]c2ccccn2c1COc1c(F)cccc1[N+](=O)[O-] ZINC000361666046 286710922 /nfs/dbraw/zinc/71/09/22/286710922.db2.gz HRFWPHDUQKTWFN-UHFFFAOYSA-N 1 2 301.277 3.269 20 5 DGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2cc[nH+]cc2F)c1 ZINC000192149862 165282268 /nfs/dbraw/zinc/28/22/68/165282268.db2.gz PAWCCGWDQIPPRP-UHFFFAOYSA-N 1 2 313.235 3.342 20 5 DGBDLO O=[N+]([O-])c1ccccc1OCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000192831257 165307967 /nfs/dbraw/zinc/30/79/67/165307967.db2.gz IGUJBFNCKVIFQF-UHFFFAOYSA-N 1 2 319.267 3.302 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000129492389 196052755 /nfs/dbraw/zinc/05/27/55/196052755.db2.gz YCQOPOUKAYTROA-GFCCVEGCSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000129492389 196052756 /nfs/dbraw/zinc/05/27/56/196052756.db2.gz YCQOPOUKAYTROA-GFCCVEGCSA-N 1 2 301.346 3.191 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(=O)OC(C)(C)C ZINC000182732239 432222858 /nfs/dbraw/zinc/22/28/58/432222858.db2.gz GKTPDHFXTDVIIH-GFCCVEGCSA-N 1 2 308.378 3.238 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000182732239 432222862 /nfs/dbraw/zinc/22/28/62/432222862.db2.gz GKTPDHFXTDVIIH-GFCCVEGCSA-N 1 2 308.378 3.238 20 5 DGBDLO COc1ccc(F)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000291164294 222187251 /nfs/dbraw/zinc/18/72/51/222187251.db2.gz IXJGSEWIEACOFP-UHFFFAOYSA-N 1 2 320.320 3.041 20 5 DGBDLO Cc1cnn([C@H]2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000413317732 230189671 /nfs/dbraw/zinc/18/96/71/230189671.db2.gz ZDRIHJYPODRZCC-HNNXBMFYSA-N 1 2 323.356 3.099 20 5 DGBDLO Cc1c(CNc2nc(N)c3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000302695938 230358635 /nfs/dbraw/zinc/35/86/35/230358635.db2.gz GOTZPQNKCFWJLH-UHFFFAOYSA-N 1 2 309.329 3.041 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1csc(C)n1 ZINC000346801667 264100139 /nfs/dbraw/zinc/10/01/39/264100139.db2.gz YFZHGKFDBIPLQP-SECBINFHSA-N 1 2 307.375 3.219 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1csc(C)n1 ZINC000346801669 264100371 /nfs/dbraw/zinc/10/03/71/264100371.db2.gz YFZHGKFDBIPLQP-VIFPVBQESA-N 1 2 307.375 3.219 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nnc(C(C)C)s1 ZINC000350094577 264580108 /nfs/dbraw/zinc/58/01/08/264580108.db2.gz IPTUONVDCAIQFW-UHFFFAOYSA-N 1 2 306.391 3.168 20 5 DGBDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000350285669 264600818 /nfs/dbraw/zinc/60/08/18/264600818.db2.gz GWLCKUJKTZVMPS-UHFFFAOYSA-N 1 2 324.381 3.173 20 5 DGBDLO COCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352739739 265146553 /nfs/dbraw/zinc/14/65/53/265146553.db2.gz OBVRKUUIPRKPSQ-UHFFFAOYSA-N 1 2 318.348 3.383 20 5 DGBDLO COCC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352739739 265146555 /nfs/dbraw/zinc/14/65/55/265146555.db2.gz OBVRKUUIPRKPSQ-UHFFFAOYSA-N 1 2 318.348 3.383 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1c(F)cncc1F ZINC000353222105 265348592 /nfs/dbraw/zinc/34/85/92/265348592.db2.gz UFBMHQDZODPLGQ-SECBINFHSA-N 1 2 323.299 3.127 20 5 DGBDLO Cc1ccc(Cc2noc(-c3cccc([N+](=O)[O-])c3C)n2)c[nH+]1 ZINC000356117947 266289015 /nfs/dbraw/zinc/28/90/15/266289015.db2.gz WZWHVKNGSKITDJ-UHFFFAOYSA-N 1 2 310.313 3.247 20 5 DGBDLO CC(C)(C)c1ccc(C(=O)Nc2ccc(N)[nH+]c2)cc1[N+](=O)[O-] ZINC000236579124 277267234 /nfs/dbraw/zinc/26/72/34/277267234.db2.gz IHNGICSVUCGDEN-UHFFFAOYSA-N 1 2 314.345 3.122 20 5 DGBDLO COc1cc(C[N@@H+]2CCCc3occc3C2)c([N+](=O)[O-])cc1F ZINC000288854673 277376910 /nfs/dbraw/zinc/37/69/10/277376910.db2.gz PLIDZSVASIDSAV-UHFFFAOYSA-N 1 2 320.320 3.284 20 5 DGBDLO COc1cc(C[N@H+]2CCCc3occc3C2)c([N+](=O)[O-])cc1F ZINC000288854673 277376911 /nfs/dbraw/zinc/37/69/11/277376911.db2.gz PLIDZSVASIDSAV-UHFFFAOYSA-N 1 2 320.320 3.284 20 5 DGBDLO CC(C)(C)c1nc(NCCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000611143865 430566981 /nfs/dbraw/zinc/56/69/81/430566981.db2.gz CHINGZCQVKWOIJ-UHFFFAOYSA-N 1 2 300.362 3.337 20 5 DGBDLO C[C@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450822423 279972178 /nfs/dbraw/zinc/97/21/78/279972178.db2.gz BEPQNWOBFHYYAJ-GXFFZTMASA-N 1 2 309.329 3.457 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](Cc2ccco2)CC1 ZINC000432328388 280372193 /nfs/dbraw/zinc/37/21/93/280372193.db2.gz WYBYGMRMFJKJQV-UHFFFAOYSA-N 1 2 321.764 3.163 20 5 DGBDLO C[N@H+](Cc1ccsc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015370594 431607886 /nfs/dbraw/zinc/60/78/86/431607886.db2.gz CPOCHAWFKGTXGH-UHFFFAOYSA-N 1 2 320.370 3.155 20 5 DGBDLO C[N@@H+](Cc1ccsc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015370594 431607892 /nfs/dbraw/zinc/60/78/92/431607892.db2.gz CPOCHAWFKGTXGH-UHFFFAOYSA-N 1 2 320.370 3.155 20 5 DGBDLO Cc1c(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000121270182 431763663 /nfs/dbraw/zinc/76/36/63/431763663.db2.gz VPQSNHCQVWBDEG-MRXNPFEDSA-N 1 2 302.330 3.070 20 5 DGBDLO Cc1c(C[N@H+]2CCO[C@@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000121270182 431763668 /nfs/dbraw/zinc/76/36/68/431763668.db2.gz VPQSNHCQVWBDEG-MRXNPFEDSA-N 1 2 302.330 3.070 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2cccs2)CC1 ZINC000121285700 431763684 /nfs/dbraw/zinc/76/36/84/431763684.db2.gz JNOJDIXSEVVNMZ-UHFFFAOYSA-N 1 2 321.377 3.118 20 5 DGBDLO COc1ccc(CNc2ccc([NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000125059488 431912620 /nfs/dbraw/zinc/91/26/20/431912620.db2.gz LDXVHGQETZXOER-UHFFFAOYSA-N 1 2 301.346 3.282 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCSCC3)cs2)c1 ZINC000126162970 431943299 /nfs/dbraw/zinc/94/32/99/431943299.db2.gz NYROBCXNJMEZRS-UHFFFAOYSA-N 1 2 321.427 3.267 20 5 DGBDLO Cc1nnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000271458135 432398849 /nfs/dbraw/zinc/39/88/49/432398849.db2.gz SYTCDQUNGMTBIA-UHFFFAOYSA-N 1 2 306.391 3.165 20 5 DGBDLO Cc1nnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000271458135 432398853 /nfs/dbraw/zinc/39/88/53/432398853.db2.gz SYTCDQUNGMTBIA-UHFFFAOYSA-N 1 2 306.391 3.165 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccco2)c(Cl)c1 ZINC000184516740 432399891 /nfs/dbraw/zinc/39/98/91/432399891.db2.gz DFOJDCMYBTVZTK-ZDUSSCGKSA-N 1 2 310.737 3.055 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000273550617 432611700 /nfs/dbraw/zinc/61/17/00/432611700.db2.gz BVGKLZQHBBRLSE-NXEZZACHSA-N 1 2 306.391 3.475 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000263757716 432574907 /nfs/dbraw/zinc/57/49/07/432574907.db2.gz JPNVIJAITAFXFF-NSHDSACASA-N 1 2 318.295 3.378 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000263757716 432574911 /nfs/dbraw/zinc/57/49/11/432574911.db2.gz JPNVIJAITAFXFF-NSHDSACASA-N 1 2 318.295 3.378 20 5 DGBDLO COC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000177569649 432637415 /nfs/dbraw/zinc/63/74/15/432637415.db2.gz MNVXDKDNIIMNPM-CQSZACIVSA-N 1 2 304.346 3.282 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000274215113 432640263 /nfs/dbraw/zinc/64/02/63/432640263.db2.gz NLPPVLJXFNMQDU-NXEZZACHSA-N 1 2 306.391 3.475 20 5 DGBDLO O=[N+]([O-])c1cnc(NCCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000265484898 432705272 /nfs/dbraw/zinc/70/52/72/432705272.db2.gz FAXZWJPULZOOBP-UHFFFAOYSA-N 1 2 321.768 3.342 20 5 DGBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000277431688 432849486 /nfs/dbraw/zinc/84/94/86/432849486.db2.gz NNSUYIXQCFGULV-QWRGUYRKSA-N 1 2 303.366 3.077 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000332195563 432984810 /nfs/dbraw/zinc/98/48/10/432984810.db2.gz DJXZCMHHFXTNCV-GOEBONIOSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000332195563 432984814 /nfs/dbraw/zinc/98/48/14/432984814.db2.gz DJXZCMHHFXTNCV-GOEBONIOSA-N 1 2 320.389 3.137 20 5 DGBDLO Cn1cc([C@@H]2CCCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000331691369 432960996 /nfs/dbraw/zinc/96/09/96/432960996.db2.gz YTIXDBMVNJISRN-ZDUSSCGKSA-N 1 2 306.391 3.117 20 5 DGBDLO Cn1cc([C@@H]2CCCC[N@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000331691369 432961001 /nfs/dbraw/zinc/96/10/01/432961001.db2.gz YTIXDBMVNJISRN-ZDUSSCGKSA-N 1 2 306.391 3.117 20 5 DGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339140044 289006511 /nfs/dbraw/zinc/00/65/11/289006511.db2.gz JWCOZJYWMYKXCQ-LDYMZIIASA-N 1 2 304.268 3.073 20 5 DGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339140044 289006514 /nfs/dbraw/zinc/00/65/14/289006514.db2.gz JWCOZJYWMYKXCQ-LDYMZIIASA-N 1 2 304.268 3.073 20 5 DGBDLO COCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000341559036 433135008 /nfs/dbraw/zinc/13/50/08/433135008.db2.gz YPBUVFBYMADZEN-UHFFFAOYSA-N 1 2 310.737 3.277 20 5 DGBDLO CCOC(=O)c1coc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000354565954 433152114 /nfs/dbraw/zinc/15/21/14/433152114.db2.gz KPCZNSUEKJKEHM-NSHDSACASA-N 1 2 318.329 3.215 20 5 DGBDLO CN1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000350780072 433280430 /nfs/dbraw/zinc/28/04/30/433280430.db2.gz DRWLLEXJNKYLAO-UHFFFAOYSA-N 1 2 315.348 3.186 20 5 DGBDLO CN1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000350780072 433280438 /nfs/dbraw/zinc/28/04/38/433280438.db2.gz DRWLLEXJNKYLAO-UHFFFAOYSA-N 1 2 315.348 3.186 20 5 DGBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339089218 433353699 /nfs/dbraw/zinc/35/36/99/433353699.db2.gz NIOCEUFOJBNXDZ-SJCJKPOMSA-N 1 2 313.357 3.279 20 5 DGBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339089218 433353710 /nfs/dbraw/zinc/35/37/10/433353710.db2.gz NIOCEUFOJBNXDZ-SJCJKPOMSA-N 1 2 313.357 3.279 20 5 DGBDLO Cc1ccnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000341941327 433372633 /nfs/dbraw/zinc/37/26/33/433372633.db2.gz XVIUZUDEBFBSER-UHFFFAOYSA-N 1 2 309.329 3.300 20 5 DGBDLO O=[N+]([O-])c1cccc(CCNc2[nH+]ccc3ccc(F)cc32)c1 ZINC000354872373 433334629 /nfs/dbraw/zinc/33/46/29/433334629.db2.gz AFMNEMGIGLNCSA-UHFFFAOYSA-N 1 2 311.316 3.937 20 5 DGBDLO C[C@@H]1COCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339052146 433335798 /nfs/dbraw/zinc/33/57/98/433335798.db2.gz KYMRUGGAOQRTHA-JTQLQIEISA-N 1 2 318.295 3.082 20 5 DGBDLO C[C@@H]1COCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339052146 433335806 /nfs/dbraw/zinc/33/58/06/433335806.db2.gz KYMRUGGAOQRTHA-JTQLQIEISA-N 1 2 318.295 3.082 20 5 DGBDLO COCC[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301141259 433429635 /nfs/dbraw/zinc/42/96/35/433429635.db2.gz ICRVLODNEZHMRE-NSHDSACASA-N 1 2 316.361 3.197 20 5 DGBDLO O=[N+]([O-])c1ccc2nc(N3CCC(n4cc[nH+]c4)CC3)ccc2c1 ZINC000301250865 433472103 /nfs/dbraw/zinc/47/21/03/433472103.db2.gz RQQBAOPLLPCBSS-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)nn1C ZINC000282182128 433524562 /nfs/dbraw/zinc/52/45/62/433524562.db2.gz MVRBHADPWVJTRW-SNVBAGLBSA-N 1 2 308.769 3.141 20 5 DGBDLO CCN(CC)c1ccc(CNc2ncc(C)cc2[N+](=O)[O-])c[nH+]1 ZINC000301424258 433548686 /nfs/dbraw/zinc/54/86/86/433548686.db2.gz GHIHCGWGFXOJDZ-UHFFFAOYSA-N 1 2 315.377 3.152 20 5 DGBDLO Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000351635107 433629310 /nfs/dbraw/zinc/62/93/10/433629310.db2.gz OIKCCOCLKFQKOT-UHFFFAOYSA-N 1 2 304.281 3.390 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000370045993 293151831 /nfs/dbraw/zinc/15/18/31/293151831.db2.gz PAZRBGHULLGOSW-LBPRGKRZSA-N 1 2 304.350 3.039 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000370045993 293151833 /nfs/dbraw/zinc/15/18/33/293151833.db2.gz PAZRBGHULLGOSW-LBPRGKRZSA-N 1 2 304.350 3.039 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000370045992 293151861 /nfs/dbraw/zinc/15/18/61/293151861.db2.gz PAZRBGHULLGOSW-GFCCVEGCSA-N 1 2 304.350 3.039 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000370045992 293151862 /nfs/dbraw/zinc/15/18/62/293151862.db2.gz PAZRBGHULLGOSW-GFCCVEGCSA-N 1 2 304.350 3.039 20 5 DGBDLO CCc1nocc1C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293312513 433698857 /nfs/dbraw/zinc/69/88/57/433698857.db2.gz FLZXTOQDXSVSRO-UHFFFAOYSA-N 1 2 309.753 3.431 20 5 DGBDLO CCc1nocc1C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293312513 433698864 /nfs/dbraw/zinc/69/88/64/433698864.db2.gz FLZXTOQDXSVSRO-UHFFFAOYSA-N 1 2 309.753 3.431 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000373730188 293310729 /nfs/dbraw/zinc/31/07/29/293310729.db2.gz UFMMFHIYQXXXJL-OAHLLOKOSA-N 1 2 317.345 3.237 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000373730188 293310731 /nfs/dbraw/zinc/31/07/31/293310731.db2.gz UFMMFHIYQXXXJL-OAHLLOKOSA-N 1 2 317.345 3.237 20 5 DGBDLO CCc1nc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(C)[nH+]1 ZINC000342471473 433712275 /nfs/dbraw/zinc/71/22/75/433712275.db2.gz JIBAILCTEFUMSQ-UHFFFAOYSA-N 1 2 312.373 3.425 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000301773014 433714030 /nfs/dbraw/zinc/71/40/30/433714030.db2.gz MDDOWTYHTKSAQW-LBPRGKRZSA-N 1 2 318.764 3.334 20 5 DGBDLO Cc1cccc2[nH+]c(CNc3c(F)cc([N+](=O)[O-])cc3F)cn21 ZINC000301813784 433736423 /nfs/dbraw/zinc/73/64/23/433736423.db2.gz ZCWZFGHMFARRDL-UHFFFAOYSA-N 1 2 318.283 3.441 20 5 DGBDLO Cc1cc(NCCn2cccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301827452 433745845 /nfs/dbraw/zinc/74/58/45/433745845.db2.gz NNTNDCGPHFSAED-UHFFFAOYSA-N 1 2 323.356 3.274 20 5 DGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000301790630 433725500 /nfs/dbraw/zinc/72/55/00/433725500.db2.gz YYKOAWHRTXARKR-NSHDSACASA-N 1 2 318.764 3.334 20 5 DGBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1c(C)noc1C ZINC000339793233 433788465 /nfs/dbraw/zinc/78/84/65/433788465.db2.gz YNQINZPCTKYBNK-CYBMUJFWSA-N 1 2 305.334 3.146 20 5 DGBDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000351931667 433796987 /nfs/dbraw/zinc/79/69/87/433796987.db2.gz SPVJDAKHMQNPDP-NSHDSACASA-N 1 2 314.345 3.489 20 5 DGBDLO Cc1ccc2[nH+]c(CNc3ncc([N+](=O)[O-])cc3Cl)cn2c1 ZINC000346125354 434135043 /nfs/dbraw/zinc/13/50/43/434135043.db2.gz YWHXWBJDUWOUSS-UHFFFAOYSA-N 1 2 317.736 3.211 20 5 DGBDLO Cc1[nH]ncc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312807 434351567 /nfs/dbraw/zinc/35/15/67/434351567.db2.gz TZDPYPLCEPVPDP-INIZCTEOSA-N 1 2 300.362 3.184 20 5 DGBDLO C[N@@H+](Cc1ccon1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353799917 434438956 /nfs/dbraw/zinc/43/89/56/434438956.db2.gz AMILYKHGEIIKOY-UHFFFAOYSA-N 1 2 313.313 3.475 20 5 DGBDLO C[N@H+](Cc1ccon1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353799917 434438970 /nfs/dbraw/zinc/43/89/70/434438970.db2.gz AMILYKHGEIIKOY-UHFFFAOYSA-N 1 2 313.313 3.475 20 5 DGBDLO Cc1c(NCc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000360338317 434582052 /nfs/dbraw/zinc/58/20/52/434582052.db2.gz XNGRMSLJDGHIKB-UHFFFAOYSA-N 1 2 314.267 3.274 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411955254 434848090 /nfs/dbraw/zinc/84/80/90/434848090.db2.gz VLWJOTBSLIYNST-CXAGYDPISA-N 1 2 316.332 3.042 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411955254 434848093 /nfs/dbraw/zinc/84/80/93/434848093.db2.gz VLWJOTBSLIYNST-CXAGYDPISA-N 1 2 316.332 3.042 20 5 DGBDLO C[N@H+]1Cc2ccccc2[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000536021657 435367262 /nfs/dbraw/zinc/36/72/62/435367262.db2.gz DXLRTPKPKBKEPG-HNNXBMFYSA-N 1 2 319.311 3.472 20 5 DGBDLO C[N@@H+]1Cc2ccccc2[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000536021657 435367266 /nfs/dbraw/zinc/36/72/66/435367266.db2.gz DXLRTPKPKBKEPG-HNNXBMFYSA-N 1 2 319.311 3.472 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000537627214 435457667 /nfs/dbraw/zinc/45/76/67/435457667.db2.gz NBRDEYVVAISVRH-INIZCTEOSA-N 1 2 322.405 3.240 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000537627214 435457671 /nfs/dbraw/zinc/45/76/71/435457671.db2.gz NBRDEYVVAISVRH-INIZCTEOSA-N 1 2 322.405 3.240 20 5 DGBDLO CCc1cc(N)nc(SCc2c(Cl)cccc2[N+](=O)[O-])[nH+]1 ZINC000568353408 435426290 /nfs/dbraw/zinc/42/62/90/435426290.db2.gz JFISPFLUNUDMFK-UHFFFAOYSA-N 1 2 324.793 3.475 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccccn3)nc2c1 ZINC000516238812 435521660 /nfs/dbraw/zinc/52/16/60/435521660.db2.gz XJXSVHDGNQIZBI-MRXNPFEDSA-N 1 2 323.356 3.203 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccccn3)nc2c1 ZINC000516238812 435521664 /nfs/dbraw/zinc/52/16/64/435521664.db2.gz XJXSVHDGNQIZBI-MRXNPFEDSA-N 1 2 323.356 3.203 20 5 DGBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000539825941 435573865 /nfs/dbraw/zinc/57/38/65/435573865.db2.gz YSBLMKLCMVCUBK-ZDUSSCGKSA-N 1 2 322.405 3.490 20 5 DGBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000539825941 435573868 /nfs/dbraw/zinc/57/38/68/435573868.db2.gz YSBLMKLCMVCUBK-ZDUSSCGKSA-N 1 2 322.405 3.490 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000548874432 435725775 /nfs/dbraw/zinc/72/57/75/435725775.db2.gz OTCLMRLBDVDRQB-LBPRGKRZSA-N 1 2 317.393 3.101 20 5 DGBDLO CCc1nnc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000572170812 435792106 /nfs/dbraw/zinc/79/21/06/435792106.db2.gz JYYUXQVDBSEJRQ-JTQLQIEISA-N 1 2 306.391 3.168 20 5 DGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000174477106 312763426 /nfs/dbraw/zinc/76/34/26/312763426.db2.gz DYXQKLQZEMDPJV-HNNXBMFYSA-N 1 2 304.346 3.228 20 5 DGBDLO Cc1nc(N[C@H](c2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000532115274 313519780 /nfs/dbraw/zinc/51/97/80/313519780.db2.gz QREXFZUJCJTGLR-INIZCTEOSA-N 1 2 323.356 3.233 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000545223518 314235270 /nfs/dbraw/zinc/23/52/70/314235270.db2.gz OWOSTTLZSVDGSY-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000545223518 314235272 /nfs/dbraw/zinc/23/52/72/314235272.db2.gz OWOSTTLZSVDGSY-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO Cn1cc(C(C)(C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000548626725 314460731 /nfs/dbraw/zinc/46/07/31/314460731.db2.gz DZQFREMOWQXVRM-UHFFFAOYSA-N 1 2 308.769 3.007 20 5 DGBDLO O=[N+]([O-])c1ccc2c(ccnc2NCCCCn2cc[nH+]c2)c1 ZINC000556212713 314748305 /nfs/dbraw/zinc/74/83/05/314748305.db2.gz JPWXJKXRZDACCQ-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000563808204 315138968 /nfs/dbraw/zinc/13/89/68/315138968.db2.gz DNMBIBZTIKEVPC-HNNXBMFYSA-N 1 2 310.781 3.249 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000563808204 315138970 /nfs/dbraw/zinc/13/89/70/315138970.db2.gz DNMBIBZTIKEVPC-HNNXBMFYSA-N 1 2 310.781 3.249 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)c(Cl)c1 ZINC000577467752 316238109 /nfs/dbraw/zinc/23/81/09/316238109.db2.gz YJJCPPXLXFWVBH-UHFFFAOYSA-N 1 2 317.776 3.422 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181543372 323258502 /nfs/dbraw/zinc/25/85/02/323258502.db2.gz ICHYEZJJYMCIFM-SFHVURJKSA-N 1 2 312.369 3.038 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181543372 323258505 /nfs/dbraw/zinc/25/85/05/323258505.db2.gz ICHYEZJJYMCIFM-SFHVURJKSA-N 1 2 312.369 3.038 20 5 DGBDLO Cc1nnsc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000580776770 324038430 /nfs/dbraw/zinc/03/84/30/324038430.db2.gz ABPTXFBONHAOHZ-UHFFFAOYSA-N 1 2 306.391 3.165 20 5 DGBDLO Cc1nnsc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000580776770 324038432 /nfs/dbraw/zinc/03/84/32/324038432.db2.gz ABPTXFBONHAOHZ-UHFFFAOYSA-N 1 2 306.391 3.165 20 5 DGBDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCCC2 ZINC000582503552 324237745 /nfs/dbraw/zinc/23/77/45/324237745.db2.gz PDGCWBWMQRXQPU-HZPDHXFCSA-N 1 2 320.389 3.128 20 5 DGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1C2CCC1CC2 ZINC000584406791 337320621 /nfs/dbraw/zinc/32/06/21/337320621.db2.gz LCAMIXRHHIMIKW-UHFFFAOYSA-N 1 2 311.179 3.484 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H](O)C3CCCCC3)c2c1 ZINC000413120539 534884905 /nfs/dbraw/zinc/88/49/05/534884905.db2.gz RBXWUMAAKLVLTP-INIZCTEOSA-N 1 2 315.373 3.496 20 5 DGBDLO CC(C)(C)C[C@@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413146947 527697406 /nfs/dbraw/zinc/69/74/06/527697406.db2.gz NUSFRJBCWGLARY-CYBMUJFWSA-N 1 2 303.362 3.352 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000331324925 528265927 /nfs/dbraw/zinc/26/59/27/528265927.db2.gz NYBQJBGQTDMXSP-MRXNPFEDSA-N 1 2 322.405 3.240 20 5 DGBDLO CCOc1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000331324925 528265929 /nfs/dbraw/zinc/26/59/29/528265929.db2.gz NYBQJBGQTDMXSP-MRXNPFEDSA-N 1 2 322.405 3.240 20 5 DGBDLO Cn1c[nH+]cc1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000356753290 546694300 /nfs/dbraw/zinc/69/43/00/546694300.db2.gz GIIHHQQNZPDRFB-UHFFFAOYSA-N 1 2 316.364 3.052 20 5 DGBDLO NC(Cc1cccs1)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000731029209 574541571 /nfs/dbraw/zinc/54/15/71/574541571.db2.gz ODELYVNMHBJSDW-UHFFFAOYSA-N 1 2 309.322 3.037 20 5 DGBDLO NC(=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000734832029 574679526 /nfs/dbraw/zinc/67/95/26/574679526.db2.gz BZJVMCVRXGKTFQ-UHFFFAOYSA-N 1 2 305.721 3.295 20 5 DGBDLO CC(C)(C)C[N@@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000728903505 575192841 /nfs/dbraw/zinc/19/28/41/575192841.db2.gz QJDQEPDKFOCYEL-UHFFFAOYSA-N 1 2 302.378 3.297 20 5 DGBDLO CC(C)(C)C[N@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000728903505 575192843 /nfs/dbraw/zinc/19/28/43/575192843.db2.gz QJDQEPDKFOCYEL-UHFFFAOYSA-N 1 2 302.378 3.297 20 5 DGBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741740447 574968369 /nfs/dbraw/zinc/96/83/69/574968369.db2.gz RCEGASKYGCZBSI-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO CCCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000749056684 575624514 /nfs/dbraw/zinc/62/45/14/575624514.db2.gz AYSFZQWYKXLNLK-UHFFFAOYSA-N 1 2 300.786 3.497 20 5 DGBDLO CCCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000749056684 575624516 /nfs/dbraw/zinc/62/45/16/575624516.db2.gz AYSFZQWYKXLNLK-UHFFFAOYSA-N 1 2 300.786 3.497 20 5 DGBDLO COc1c(O)ccc(C[N@H+](C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000891517087 617822829 /nfs/dbraw/zinc/82/28/29/617822829.db2.gz RMGIUHQXSCCNJN-UHFFFAOYSA-N 1 2 308.359 3.003 20 5 DGBDLO COc1c(O)ccc(C[N@@H+](C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000891517087 617822832 /nfs/dbraw/zinc/82/28/32/617822832.db2.gz RMGIUHQXSCCNJN-UHFFFAOYSA-N 1 2 308.359 3.003 20 5 DGBDLO CC[N@H+](Cc1occc1C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894925184 618499885 /nfs/dbraw/zinc/49/98/85/618499885.db2.gz IJMFYGMYODIMKG-UHFFFAOYSA-N 1 2 320.345 3.233 20 5 DGBDLO CC[N@@H+](Cc1occc1C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894925184 618499886 /nfs/dbraw/zinc/49/98/86/618499886.db2.gz IJMFYGMYODIMKG-UHFFFAOYSA-N 1 2 320.345 3.233 20 5 DGBDLO Cc1cccc(N2CCC(Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000895350344 618599997 /nfs/dbraw/zinc/59/99/97/618599997.db2.gz RIESTNVTCTYLFT-UHFFFAOYSA-N 1 2 312.373 3.379 20 5 DGBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1C(F)F)C2 ZINC000896655173 618941435 /nfs/dbraw/zinc/94/14/35/618941435.db2.gz VEMGFENXHMOQMQ-UHFFFAOYSA-N 1 2 322.315 3.312 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000903333929 619759217 /nfs/dbraw/zinc/75/92/17/619759217.db2.gz VIRFKGGYJJPEDM-WBMJQRKESA-N 1 2 312.373 3.495 20 5 DGBDLO COc1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1C ZINC000922672803 621078063 /nfs/dbraw/zinc/07/80/63/621078063.db2.gz YXYGFVSKJDMBOI-LBPRGKRZSA-N 1 2 316.357 3.468 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)c(F)c1 ZINC000922697131 621084109 /nfs/dbraw/zinc/08/41/09/621084109.db2.gz RHZVPYQLZCRDNP-UHFFFAOYSA-N 1 2 321.377 3.359 20 5 DGBDLO O=C(OCCCCCF)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838101907 621210197 /nfs/dbraw/zinc/21/01/97/621210197.db2.gz MCWZRFGIXGCXSO-UHFFFAOYSA-N 1 2 321.308 3.077 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000761533324 622015260 /nfs/dbraw/zinc/01/52/60/622015260.db2.gz LIIIPSGTIZKLAL-SSDOTTSWSA-N 1 2 312.782 3.259 20 5 DGBDLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122254707 622273531 /nfs/dbraw/zinc/27/35/31/622273531.db2.gz ZVGBAQUEMKEFTM-UHFFFAOYSA-N 1 2 309.753 3.485 20 5 DGBDLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122254707 622273535 /nfs/dbraw/zinc/27/35/35/622273535.db2.gz ZVGBAQUEMKEFTM-UHFFFAOYSA-N 1 2 309.753 3.485 20 5 DGBDLO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031733 622762603 /nfs/dbraw/zinc/76/26/03/622762603.db2.gz LYOJDTMVFSYQMN-KOLCDFICSA-N 1 2 306.341 3.188 20 5 DGBDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045958 622772296 /nfs/dbraw/zinc/77/22/96/622772296.db2.gz TWSVRFFFORKDJZ-YGRLFVJLSA-N 1 2 322.311 3.257 20 5 DGBDLO CCn1cc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872079522 622793566 /nfs/dbraw/zinc/79/35/66/622793566.db2.gz ZDJBBVWGLZEXFV-QWRGUYRKSA-N 1 2 306.341 3.362 20 5 DGBDLO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086806 622797401 /nfs/dbraw/zinc/79/74/01/622797401.db2.gz ZQJQXZQASZEHCB-SNVBAGLBSA-N 1 2 318.352 3.196 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000873132068 623043939 /nfs/dbraw/zinc/04/39/39/623043939.db2.gz FJKJCHYPZPGEOY-UHFFFAOYSA-N 1 2 318.402 3.230 20 5 DGBDLO CC[C@@H]1c2ccccc2CC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779866318 623824101 /nfs/dbraw/zinc/82/41/01/623824101.db2.gz WDAJTCHSBBKIPF-OAHLLOKOSA-N 1 2 300.362 3.067 20 5 DGBDLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779866318 623824106 /nfs/dbraw/zinc/82/41/06/623824106.db2.gz WDAJTCHSBBKIPF-OAHLLOKOSA-N 1 2 300.362 3.067 20 5 DGBDLO COCC1(C2CC2)C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877686616 623992617 /nfs/dbraw/zinc/99/26/17/623992617.db2.gz RNDGCBNMTGLSPY-UHFFFAOYSA-N 1 2 310.781 3.107 20 5 DGBDLO C/C(=C\C(=O)Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000784046465 624427490 /nfs/dbraw/zinc/42/74/90/624427490.db2.gz TXBADJGGSSNFLQ-VAWYXSNFSA-N 1 2 322.324 3.285 20 5 DGBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880461032 624960933 /nfs/dbraw/zinc/96/09/33/624960933.db2.gz FMRRIWHTYMBIHK-QGZVFWFLSA-N 1 2 318.348 3.289 20 5 DGBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880461032 624960936 /nfs/dbraw/zinc/96/09/36/624960936.db2.gz FMRRIWHTYMBIHK-QGZVFWFLSA-N 1 2 318.348 3.289 20 5 DGBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000801512703 626406272 /nfs/dbraw/zinc/40/62/72/626406272.db2.gz YGDHGJHOHDZTAX-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000801512703 626406273 /nfs/dbraw/zinc/40/62/73/626406273.db2.gz YGDHGJHOHDZTAX-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1(c3ncccn3)CCC1)CCC2 ZINC000883312256 626642315 /nfs/dbraw/zinc/64/23/15/626642315.db2.gz YGZIPDCIUAAYRG-INIZCTEOSA-N 1 2 324.384 3.431 20 5 DGBDLO C[C@@]1(F)CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000840100716 626759767 /nfs/dbraw/zinc/75/97/67/626759767.db2.gz WMDXTGMWICAXMA-MRXNPFEDSA-N 1 2 318.352 3.240 20 5 DGBDLO C[C@@]1(F)CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000840100716 626759771 /nfs/dbraw/zinc/75/97/71/626759771.db2.gz WMDXTGMWICAXMA-MRXNPFEDSA-N 1 2 318.352 3.240 20 5 DGBDLO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000886033177 627089103 /nfs/dbraw/zinc/08/91/03/627089103.db2.gz RZWLYTWNWIPTEO-GFCCVEGCSA-N 1 2 301.346 3.279 20 5 DGBDLO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000886033177 627089106 /nfs/dbraw/zinc/08/91/06/627089106.db2.gz RZWLYTWNWIPTEO-GFCCVEGCSA-N 1 2 301.346 3.279 20 5 DGBDLO CC[C@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1nc(C)cs1 ZINC000886073089 627098703 /nfs/dbraw/zinc/09/87/03/627098703.db2.gz QAAWTESCJLLRKS-AWEZNQCLSA-N 1 2 306.391 3.170 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886272647 627128789 /nfs/dbraw/zinc/12/87/89/627128789.db2.gz XGAUISSDIVPBGW-UHFFFAOYSA-N 1 2 307.737 3.403 20 5 DGBDLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000924796752 627680759 /nfs/dbraw/zinc/68/07/59/627680759.db2.gz CNFWNJWVKJXLNA-VXGBXAGGSA-N 1 2 303.366 3.179 20 5 DGBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625893 627692460 /nfs/dbraw/zinc/69/24/60/627692460.db2.gz PIZNNZMYSUFTSE-BDAKNGLRSA-N 1 2 322.315 3.262 20 5 DGBDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825316137 628748708 /nfs/dbraw/zinc/74/87/08/628748708.db2.gz KQMMZEVGAMWALQ-KCJUWKMLSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825316137 628748710 /nfs/dbraw/zinc/74/87/10/628748710.db2.gz KQMMZEVGAMWALQ-KCJUWKMLSA-N 1 2 319.188 3.104 20 5 DGBDLO CCn1cc(C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C(C)C)cn1 ZINC000844417063 630727006 /nfs/dbraw/zinc/72/70/06/630727006.db2.gz IWGQNJGLUVNCBE-UHFFFAOYSA-N 1 2 320.368 3.361 20 5 DGBDLO CCn1cc(C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C(C)C)cn1 ZINC000844417063 630727007 /nfs/dbraw/zinc/72/70/07/630727007.db2.gz IWGQNJGLUVNCBE-UHFFFAOYSA-N 1 2 320.368 3.361 20 5 DGBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000180437406 655965839 /nfs/dbraw/zinc/96/58/39/655965839.db2.gz XOONMKXCTXBOOC-JTQLQIEISA-N 1 2 319.292 3.493 20 5 DGBDLO CC(C)[N@@H+](Cc1cccc(Cl)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000123982797 656211987 /nfs/dbraw/zinc/21/19/87/656211987.db2.gz ILJJGXJUWNBAIP-UHFFFAOYSA-N 1 2 308.769 3.313 20 5 DGBDLO CC(C)[N@H+](Cc1cccc(Cl)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000123982797 656211989 /nfs/dbraw/zinc/21/19/89/656211989.db2.gz ILJJGXJUWNBAIP-UHFFFAOYSA-N 1 2 308.769 3.313 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000932077704 661535396 /nfs/dbraw/zinc/53/53/96/661535396.db2.gz GZIVJHJGMMBVKM-LLVKDONJSA-N 1 2 306.309 3.075 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000932077704 661535399 /nfs/dbraw/zinc/53/53/99/661535399.db2.gz GZIVJHJGMMBVKM-LLVKDONJSA-N 1 2 306.309 3.075 20 5 DGBDLO COC(=O)c1sccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180935 661545195 /nfs/dbraw/zinc/54/51/95/661545195.db2.gz XDRQNDFIJYLDND-SNVBAGLBSA-N 1 2 320.370 3.294 20 5 DGBDLO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000932344417 661560133 /nfs/dbraw/zinc/56/01/33/661560133.db2.gz XMCIESWEOMBPHJ-SNVBAGLBSA-N 1 2 318.295 3.224 20 5 DGBDLO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000932344417 661560135 /nfs/dbraw/zinc/56/01/35/661560135.db2.gz XMCIESWEOMBPHJ-SNVBAGLBSA-N 1 2 318.295 3.224 20 5 DGBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC000046598857 661869829 /nfs/dbraw/zinc/86/98/29/661869829.db2.gz ZGQHIPAARXTCAL-UHFFFAOYSA-N 1 2 301.302 3.135 20 5 DGBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC000046598857 661869831 /nfs/dbraw/zinc/86/98/31/661869831.db2.gz ZGQHIPAARXTCAL-UHFFFAOYSA-N 1 2 301.302 3.135 20 5 DGBDLO CC(C)c1[nH]cc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[nH+]1 ZINC001456344978 1182412089 /nfs/dbraw/zinc/41/20/89/1182412089.db2.gz MLNJGCOGGDWLHE-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO CC(C)c1[nH]c(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c[nH+]1 ZINC001456344978 1182412093 /nfs/dbraw/zinc/41/20/93/1182412093.db2.gz MLNJGCOGGDWLHE-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO Cc1c(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001473802193 1183803942 /nfs/dbraw/zinc/80/39/42/1183803942.db2.gz WGPBEDOSFWHOHA-GFCCVEGCSA-N 1 2 320.336 3.383 20 5 DGBDLO Cc1c(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001473802193 1183803944 /nfs/dbraw/zinc/80/39/44/1183803944.db2.gz WGPBEDOSFWHOHA-GFCCVEGCSA-N 1 2 320.336 3.383 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001560138261 1189282932 /nfs/dbraw/zinc/28/29/32/1189282932.db2.gz PHHCNBDDBLAXGZ-QAPCUYQASA-N 1 2 310.353 3.074 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001560138261 1189282934 /nfs/dbraw/zinc/28/29/34/1189282934.db2.gz PHHCNBDDBLAXGZ-QAPCUYQASA-N 1 2 310.353 3.074 20 5 DGBDLO COc1cc(C[NH2+][C@H](C)c2ncccc2C)c([N+](=O)[O-])cc1F ZINC001560221173 1189292971 /nfs/dbraw/zinc/29/29/71/1189292971.db2.gz NDAVFLLKESOZCZ-LLVKDONJSA-N 1 2 319.336 3.297 20 5 DGBDLO Cc1ccc([C@H](C)NCc2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-] ZINC001560357801 1189317002 /nfs/dbraw/zinc/31/70/02/1189317002.db2.gz XNJDWBJNKUQIRE-ZDUSSCGKSA-N 1 2 314.389 3.215 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2cnccc2N(C)C)cc1[N+](=O)[O-] ZINC001560357801 1189317005 /nfs/dbraw/zinc/31/70/05/1189317005.db2.gz XNJDWBJNKUQIRE-ZDUSSCGKSA-N 1 2 314.389 3.215 20 5 DGBDLO Cc1cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc(C)[nH+]1 ZINC001570452463 1190862076 /nfs/dbraw/zinc/86/20/76/1190862076.db2.gz SQLNHBLMMNLQGV-UHFFFAOYSA-N 1 2 324.340 3.018 20 5 DGBDLO C[N@H+](Cc1cccc2[nH]c(=O)oc21)Cc1ccccc1[N+](=O)[O-] ZINC001621141894 1193808163 /nfs/dbraw/zinc/80/81/63/1193808163.db2.gz TVUMENSOEPTMOX-UHFFFAOYSA-N 1 2 313.313 3.074 20 5 DGBDLO C[N@@H+](Cc1cccc2[nH]c(=O)oc21)Cc1ccccc1[N+](=O)[O-] ZINC001621141894 1193808170 /nfs/dbraw/zinc/80/81/70/1193808170.db2.gz TVUMENSOEPTMOX-UHFFFAOYSA-N 1 2 313.313 3.074 20 5 DGBDLO C[C@H]([NH2+]Cc1ccc(O)c(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001621509404 1193851705 /nfs/dbraw/zinc/85/17/05/1193851705.db2.gz RLIUHGLACJZEAG-VIFPVBQESA-N 1 2 308.284 3.429 20 5 DGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCF)C2)c(Cl)c1 ZINC001642866463 1194948996 /nfs/dbraw/zinc/94/89/96/1194948996.db2.gz UZHSDADKQIQFIS-SNVBAGLBSA-N 1 2 301.749 3.094 20 5 DGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCF)C2)c(Cl)c1 ZINC001642866463 1194949000 /nfs/dbraw/zinc/94/90/00/1194949000.db2.gz UZHSDADKQIQFIS-SNVBAGLBSA-N 1 2 301.749 3.094 20 5 DGBDLO O=[N+]([O-])c1cccc2c1ccnc2NCc1ccn2cc[nH+]c2c1 ZINC001651636538 1195488200 /nfs/dbraw/zinc/48/82/00/1195488200.db2.gz RBRVKAWBUKFAFR-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO CCOc1cc(NCc2[nH]c3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC001652267228 1195573370 /nfs/dbraw/zinc/57/33/70/1195573370.db2.gz KMZQDGKRUZLUIJ-UHFFFAOYSA-N 1 2 316.361 3.208 20 5 DGBDLO Cc1sccc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001652628564 1195629144 /nfs/dbraw/zinc/62/91/44/1195629144.db2.gz SSKWAYMCSSMBCC-UHFFFAOYSA-N 1 2 304.371 3.228 20 5 DGBDLO CCCCO[C@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC001653554649 1195733272 /nfs/dbraw/zinc/73/32/72/1195733272.db2.gz GULMBIGNZRTQQZ-HOTGVXAUSA-N 1 2 322.405 3.374 20 5 DGBDLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001655589914 1195936429 /nfs/dbraw/zinc/93/64/29/1195936429.db2.gz OITOEZNXHQUELE-SNVBAGLBSA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001655589914 1195936433 /nfs/dbraw/zinc/93/64/33/1195936433.db2.gz OITOEZNXHQUELE-SNVBAGLBSA-N 1 2 320.780 3.166 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC001660121843 1196448535 /nfs/dbraw/zinc/44/85/35/1196448535.db2.gz CFMFNUAKNZAZOS-HNNXBMFYSA-N 1 2 300.362 3.272 20 5 DGBDLO Cc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1F ZINC001181267276 1083439497 /nfs/dbraw/zinc/43/94/97/1083439497.db2.gz QAFJOIOCITUJRA-UHFFFAOYSA-N 1 2 314.320 3.208 20 5 DGBDLO CCc1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc(CC)[nH+]1 ZINC001162126785 1089559671 /nfs/dbraw/zinc/55/96/71/1089559671.db2.gz QPNCSNATOHDEJV-UHFFFAOYSA-N 1 2 315.377 3.034 20 5 DGBDLO Cc1ccc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)c(C)[nH+]1 ZINC001203379963 1090132456 /nfs/dbraw/zinc/13/24/56/1090132456.db2.gz FJWHBJFNRVLKIH-UHFFFAOYSA-N 1 2 316.364 3.085 20 5 DGBDLO Cc1cc(C)c(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c[nH+]1 ZINC001142211198 1092438217 /nfs/dbraw/zinc/43/82/17/1092438217.db2.gz LLZHSEDKSNKNMI-UHFFFAOYSA-N 1 2 324.340 3.018 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)ccn12 ZINC001124397101 1095587723 /nfs/dbraw/zinc/58/77/23/1095587723.db2.gz WKXCEKBSGCCYHS-UHFFFAOYSA-N 1 2 324.340 3.420 20 5 DGBDLO C[NH+]1C(C)(C)CC(Oc2cccc(O)c2[N+](=O)[O-])CC1(C)C ZINC001225620833 1096486056 /nfs/dbraw/zinc/48/60/56/1096486056.db2.gz WRRWQHPKHONCDQ-UHFFFAOYSA-N 1 2 308.378 3.331 20 5 DGBDLO C[N@@H+]1CCO[C@@H](COc2nc3ccccc3c3ccccc32)C1 ZINC001226993114 1096839191 /nfs/dbraw/zinc/83/91/91/1096839191.db2.gz RJRSJFNVRAILRN-CQSZACIVSA-N 1 2 308.381 3.097 20 5 DGBDLO C[N@H+]1CCO[C@@H](COc2nc3ccccc3c3ccccc32)C1 ZINC001226993114 1096839201 /nfs/dbraw/zinc/83/92/01/1096839201.db2.gz RJRSJFNVRAILRN-CQSZACIVSA-N 1 2 308.381 3.097 20 5 DGBDLO CCOC(=O)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC001173219274 1097370334 /nfs/dbraw/zinc/37/03/34/1097370334.db2.gz MUZQNKHHWLGXBH-HEHGZKQESA-N 1 2 322.405 3.093 20 5 DGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001173220599 1097372373 /nfs/dbraw/zinc/37/23/73/1097372373.db2.gz BCDVVKNAUKLWMT-ZWNOBZJWSA-N 1 2 302.296 3.205 20 5 DGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001173220599 1097372376 /nfs/dbraw/zinc/37/23/76/1097372376.db2.gz BCDVVKNAUKLWMT-ZWNOBZJWSA-N 1 2 302.296 3.205 20 5 DGBDLO O=C1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1F ZINC001232218294 1097970578 /nfs/dbraw/zinc/97/05/78/1097970578.db2.gz FPJCNJWMHOKRSZ-INIZCTEOSA-N 1 2 323.371 3.286 20 5 DGBDLO O=C1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1F ZINC001232218294 1097970584 /nfs/dbraw/zinc/97/05/84/1097970584.db2.gz FPJCNJWMHOKRSZ-INIZCTEOSA-N 1 2 323.371 3.286 20 5 DGBDLO CCCOC1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221907 1097972906 /nfs/dbraw/zinc/97/29/06/1097972906.db2.gz MHQKGCKDEAJDOR-UHFFFAOYSA-N 1 2 307.397 3.394 20 5 DGBDLO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCOCC34CC4)nc12 ZINC001232226124 1097974286 /nfs/dbraw/zinc/97/42/86/1097974286.db2.gz RXBGTBXQVBKIHI-UHFFFAOYSA-N 1 2 305.381 3.148 20 5 DGBDLO c1cnc2c(c1)ccc1ccc(C[N@H+]3CCOCC34CC4)nc12 ZINC001232226124 1097974294 /nfs/dbraw/zinc/97/42/94/1097974294.db2.gz RXBGTBXQVBKIHI-UHFFFAOYSA-N 1 2 305.381 3.148 20 5 DGBDLO CN(C)c1ccc(F)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001180011004 1099282043 /nfs/dbraw/zinc/28/20/43/1099282043.db2.gz DRHCIYNTRXWKGU-UHFFFAOYSA-N 1 2 317.364 3.432 20 5 DGBDLO CN(C)c1ccc(F)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001180011004 1099282053 /nfs/dbraw/zinc/28/20/53/1099282053.db2.gz DRHCIYNTRXWKGU-UHFFFAOYSA-N 1 2 317.364 3.432 20 5 DGBDLO O=[N+]([O-])c1cc(O)cc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001199819259 1102211504 /nfs/dbraw/zinc/21/15/04/1102211504.db2.gz MYWYHKCTUAAEPA-UHFFFAOYSA-N 1 2 304.693 3.345 20 5 DGBDLO Cc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC001199989324 1102266425 /nfs/dbraw/zinc/26/64/25/1102266425.db2.gz CEIVRCCGLPHQKF-UHFFFAOYSA-N 1 2 308.341 3.136 20 5 DGBDLO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001249548709 1105309574 /nfs/dbraw/zinc/30/95/74/1105309574.db2.gz QLTRJCNHMLXKPD-UHFFFAOYSA-N 1 2 309.329 3.287 20 5 DGBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)c1ccccn1 ZINC001254539358 1106098810 /nfs/dbraw/zinc/09/88/10/1106098810.db2.gz DIYQYZUZQSVHEN-GFCCVEGCSA-N 1 2 321.327 3.302 20 5 DGBDLO CCCCC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC001254550052 1106101825 /nfs/dbraw/zinc/10/18/25/1106101825.db2.gz CDOYSTAAWRTFIG-ZFWWWQNUSA-N 1 2 322.405 3.237 20 5 DGBDLO CC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560484 1106103919 /nfs/dbraw/zinc/10/39/19/1106103919.db2.gz UCPCYKUOCBBKOD-CYBMUJFWSA-N 1 2 322.405 3.189 20 5 DGBDLO CC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560484 1106103921 /nfs/dbraw/zinc/10/39/21/1106103921.db2.gz UCPCYKUOCBBKOD-CYBMUJFWSA-N 1 2 322.405 3.189 20 5 DGBDLO O=[N+]([O-])c1ccc2nc(N3CCC(c4c[nH]c[nH+]4)CC3)ccc2c1 ZINC001262685464 1107778591 /nfs/dbraw/zinc/77/85/91/1107778591.db2.gz CENOTDZMMYPKTJ-UHFFFAOYSA-N 1 2 323.356 3.250 20 5 DGBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001308071070 1111374329 /nfs/dbraw/zinc/37/43/29/1111374329.db2.gz VSNOQEWOUJVAPF-SNVBAGLBSA-N 1 2 319.292 3.493 20 5 DGBDLO CCn1cnc(Cl)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001308416183 1111427240 /nfs/dbraw/zinc/42/72/40/1111427240.db2.gz BQJGZCKLRLULLU-UHFFFAOYSA-N 1 2 322.796 3.490 20 5 DGBDLO CN(C[C@H]1CCCCO1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413067247 529963465 /nfs/dbraw/zinc/96/34/65/529963465.db2.gz GPWSIBSZCRSQHN-CQSZACIVSA-N 1 2 301.346 3.148 20 5 DGBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000237490215 186296657 /nfs/dbraw/zinc/29/66/57/186296657.db2.gz QKTTZBYOEDAWNZ-JTQLQIEISA-N 1 2 304.350 3.126 20 5 DGBDLO COCc1nc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000267813113 186364513 /nfs/dbraw/zinc/36/45/13/186364513.db2.gz WEFZZKOGMAJGCL-LLVKDONJSA-N 1 2 321.402 3.357 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000072583516 191197711 /nfs/dbraw/zinc/19/77/11/191197711.db2.gz CBFWJJDXAVBNMU-GFCCVEGCSA-N 1 2 317.345 3.128 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000072583516 191197713 /nfs/dbraw/zinc/19/77/13/191197713.db2.gz CBFWJJDXAVBNMU-GFCCVEGCSA-N 1 2 317.345 3.128 20 5 DGBDLO Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000047514806 283567667 /nfs/dbraw/zinc/56/76/67/283567667.db2.gz QXTQSGFVEKMHGB-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO Cc1occc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193794692 201124101 /nfs/dbraw/zinc/12/41/01/201124101.db2.gz RXUZWIQRTGORFB-UHFFFAOYSA-N 1 2 305.290 3.036 20 5 DGBDLO Cc1occc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193794692 201124105 /nfs/dbraw/zinc/12/41/05/201124105.db2.gz RXUZWIQRTGORFB-UHFFFAOYSA-N 1 2 305.290 3.036 20 5 DGBDLO CCn1c(CCNc2ncc([N+](=O)[O-])s2)[nH+]c2ccccc21 ZINC000195511487 201396680 /nfs/dbraw/zinc/39/66/80/201396680.db2.gz NJJFBSRUXAAGHR-UHFFFAOYSA-N 1 2 317.374 3.076 20 5 DGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nccs3)CC2)cc1 ZINC000135108899 432100593 /nfs/dbraw/zinc/10/05/93/432100593.db2.gz DQOOURMUYWLNHT-UHFFFAOYSA-N 1 2 319.386 3.095 20 5 DGBDLO C[C@H](c1csnn1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554063 241170988 /nfs/dbraw/zinc/17/09/88/241170988.db2.gz YXZSZBJWVXGQQG-YPMHNXCESA-N 1 2 318.402 3.387 20 5 DGBDLO C[C@H](c1csnn1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554063 241170989 /nfs/dbraw/zinc/17/09/89/241170989.db2.gz YXZSZBJWVXGQQG-YPMHNXCESA-N 1 2 318.402 3.387 20 5 DGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000102185102 284352777 /nfs/dbraw/zinc/35/27/77/284352777.db2.gz BKXGICSUPLCZMU-CYBMUJFWSA-N 1 2 315.333 3.077 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000494795411 246193234 /nfs/dbraw/zinc/19/32/34/246193234.db2.gz PIHYNMCCNIGNKE-CQSZACIVSA-N 1 2 324.739 3.211 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c(F)c1 ZINC000285260988 218356769 /nfs/dbraw/zinc/35/67/69/218356769.db2.gz IYJHTXPRYRUDKD-LSDHHAIUSA-N 1 2 312.316 3.016 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(F)c1 ZINC000285260988 218356772 /nfs/dbraw/zinc/35/67/72/218356772.db2.gz IYJHTXPRYRUDKD-LSDHHAIUSA-N 1 2 312.316 3.016 20 5 DGBDLO CC(C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000110293962 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Cc1ncc([C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000614497641 400909504 /nfs/dbraw/zinc/90/95/04/400909504.db2.gz BMRGRHQKUDMVRI-LBPRGKRZSA-N 1 2 300.362 3.195 20 5 DGBDLO O=[N+]([O-])c1c(NCCCOCC2CC2)ccc2c[nH+]ccc21 ZINC000599019770 400928960 /nfs/dbraw/zinc/92/89/60/400928960.db2.gz GINMDEYWEOGTHT-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DGBDLO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599041875 400935354 /nfs/dbraw/zinc/93/53/54/400935354.db2.gz XLHMAQWXPMNATA-CQSZACIVSA-N 1 2 323.356 3.181 20 5 DGBDLO CC(C)(O)C(C)(C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599088720 400957118 /nfs/dbraw/zinc/95/71/18/400957118.db2.gz TXAODBIYNBUPMC-UHFFFAOYSA-N 1 2 303.362 3.352 20 5 DGBDLO O=[N+]([O-])c1c(N[C@@H]2CCC[C@H](CO)C2)ccc2c[nH+]ccc21 ZINC000599092976 400958454 /nfs/dbraw/zinc/95/84/54/400958454.db2.gz SJAUEOAIQAVEFP-WCQYABFASA-N 1 2 301.346 3.106 20 5 DGBDLO CCN(CC)c1ccc(CNc2cc(C)c([N+](=O)[O-])cn2)c[nH+]1 ZINC000080598554 400966334 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O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1)CCO2 ZINC000352678204 265126020 /nfs/dbraw/zinc/12/60/20/265126020.db2.gz NHWLQIIDKSDBQF-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000355350411 266047001 /nfs/dbraw/zinc/04/70/01/266047001.db2.gz JQKDNZDKMITGER-UHFFFAOYSA-N 1 2 318.377 3.256 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000355350411 266047004 /nfs/dbraw/zinc/04/70/04/266047004.db2.gz JQKDNZDKMITGER-UHFFFAOYSA-N 1 2 318.377 3.256 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cccc2ccccc21 ZINC000355556800 266114453 /nfs/dbraw/zinc/11/44/53/266114453.db2.gz RVCGNYGDBJZKBW-UHFFFAOYSA-N 1 2 310.357 3.114 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cccc2ccccc21 ZINC000355556800 266114456 /nfs/dbraw/zinc/11/44/56/266114456.db2.gz RVCGNYGDBJZKBW-UHFFFAOYSA-N 1 2 310.357 3.114 20 5 DGBDLO CC(C)c1ccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355794680 266187635 /nfs/dbraw/zinc/18/76/35/266187635.db2.gz NRPBMPJNVGFFJJ-UHFFFAOYSA-N 1 2 302.378 3.084 20 5 DGBDLO CC(C)c1ccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355794680 266187638 /nfs/dbraw/zinc/18/76/38/266187638.db2.gz NRPBMPJNVGFFJJ-UHFFFAOYSA-N 1 2 302.378 3.084 20 5 DGBDLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355800993 266188865 /nfs/dbraw/zinc/18/88/65/266188865.db2.gz LZYBCQKQLDOZOB-SNVBAGLBSA-N 1 2 308.769 3.175 20 5 DGBDLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355800993 266188868 /nfs/dbraw/zinc/18/88/68/266188868.db2.gz LZYBCQKQLDOZOB-SNVBAGLBSA-N 1 2 308.769 3.175 20 5 DGBDLO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000367783387 271076533 /nfs/dbraw/zinc/07/65/33/271076533.db2.gz LTYLMFVEUMHKEG-CYBMUJFWSA-N 1 2 306.753 3.308 20 5 DGBDLO Cc1csc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000339074749 279045331 /nfs/dbraw/zinc/04/53/31/279045331.db2.gz HGMVOTMAAODUID-AWEZNQCLSA-N 1 2 319.386 3.306 20 5 DGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000072058323 431328852 /nfs/dbraw/zinc/32/88/52/431328852.db2.gz NOAYKGVPHSVXAA-UHFFFAOYSA-N 1 2 308.297 3.237 20 5 DGBDLO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339092284 280046991 /nfs/dbraw/zinc/04/69/91/280046991.db2.gz RTODWVSKGWFCBB-UKRRQHHQSA-N 1 2 310.419 3.454 20 5 DGBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121186420 431749817 /nfs/dbraw/zinc/74/98/17/431749817.db2.gz LYUVAUZQKHHWPQ-VFQAQYNWSA-N 1 2 312.373 3.211 20 5 DGBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121186420 431749823 /nfs/dbraw/zinc/74/98/23/431749823.db2.gz LYUVAUZQKHHWPQ-VFQAQYNWSA-N 1 2 312.373 3.211 20 5 DGBDLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123154197 431856909 /nfs/dbraw/zinc/85/69/09/431856909.db2.gz ZSKJPKKLQLJZPG-NXEZZACHSA-N 1 2 311.769 3.060 20 5 DGBDLO Cc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000047515017 431911366 /nfs/dbraw/zinc/91/13/66/431911366.db2.gz LVZQUZKYFNEGLW-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000183178544 432266267 /nfs/dbraw/zinc/26/62/67/432266267.db2.gz ICNJPVLGBPDGRA-OAHLLOKOSA-N 1 2 322.311 3.350 20 5 DGBDLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000152698350 432349556 /nfs/dbraw/zinc/34/95/56/432349556.db2.gz QGFZKVXDJHKGMX-CYBMUJFWSA-N 1 2 323.356 3.026 20 5 DGBDLO COCC[N@H+](Cc1ccco1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174818593 432372708 /nfs/dbraw/zinc/37/27/08/432372708.db2.gz VFMFBHROGAUTQR-UHFFFAOYSA-N 1 2 324.764 3.490 20 5 DGBDLO COCC[N@@H+](Cc1ccco1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174818593 432372711 /nfs/dbraw/zinc/37/27/11/432372711.db2.gz VFMFBHROGAUTQR-UHFFFAOYSA-N 1 2 324.764 3.490 20 5 DGBDLO CC(C)N(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000192639144 432395140 /nfs/dbraw/zinc/39/51/40/432395140.db2.gz ABMWVELHCYBJAT-AWEZNQCLSA-N 1 2 321.421 3.061 20 5 DGBDLO CC(C)N(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000192639144 432395143 /nfs/dbraw/zinc/39/51/43/432395143.db2.gz ABMWVELHCYBJAT-AWEZNQCLSA-N 1 2 321.421 3.061 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000249870860 432360342 /nfs/dbraw/zinc/36/03/42/432360342.db2.gz JPVRYQVCEGSYNE-SMDDNHRTSA-N 1 2 319.386 3.186 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000249870860 432360344 /nfs/dbraw/zinc/36/03/44/432360344.db2.gz JPVRYQVCEGSYNE-SMDDNHRTSA-N 1 2 319.386 3.186 20 5 DGBDLO Cc1c(C[NH2+][C@H](CO)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000273160354 432558459 /nfs/dbraw/zinc/55/84/59/432558459.db2.gz ZJXIZIJDPDPIFV-CQSZACIVSA-N 1 2 322.311 3.005 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(F)cn2)C2CC2)c1 ZINC000276305726 432794947 /nfs/dbraw/zinc/79/49/47/432794947.db2.gz XWPFGPJGMWOIRL-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(F)cn2)C2CC2)c1 ZINC000276305726 432794950 /nfs/dbraw/zinc/79/49/50/432794950.db2.gz XWPFGPJGMWOIRL-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(C)[nH+]1 ZINC000154639949 292685769 /nfs/dbraw/zinc/68/57/69/292685769.db2.gz GVGJYLMSVMEIDA-UHFFFAOYSA-N 1 2 322.324 3.407 20 5 DGBDLO COCCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000289419729 432956268 /nfs/dbraw/zinc/95/62/68/432956268.db2.gz IYXXCIMYZZAUGU-UHFFFAOYSA-N 1 2 321.402 3.090 20 5 DGBDLO COCCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000289419729 432956271 /nfs/dbraw/zinc/95/62/71/432956271.db2.gz IYXXCIMYZZAUGU-UHFFFAOYSA-N 1 2 321.402 3.090 20 5 DGBDLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332502491 433009674 /nfs/dbraw/zinc/00/96/74/433009674.db2.gz DORGFCAMCBQYRM-NSHDSACASA-N 1 2 301.321 3.248 20 5 DGBDLO C[C@@H](c1ccc(F)cc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332502491 433009677 /nfs/dbraw/zinc/00/96/77/433009677.db2.gz DORGFCAMCBQYRM-NSHDSACASA-N 1 2 301.321 3.248 20 5 DGBDLO COc1c(C)c[nH+]c(COc2c(Cl)cncc2[N+](=O)[O-])c1C ZINC000349907980 433033290 /nfs/dbraw/zinc/03/32/90/433033290.db2.gz AAEOGHSJGCSCLX-UHFFFAOYSA-N 1 2 323.736 3.243 20 5 DGBDLO CC(=O)c1cc(NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000341382509 433043117 /nfs/dbraw/zinc/04/31/17/433043117.db2.gz PWWUOQAGRHFCJW-UHFFFAOYSA-N 1 2 310.313 3.057 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)nc2c1 ZINC000361268077 433074526 /nfs/dbraw/zinc/07/45/26/433074526.db2.gz UAAGCKSMXXMHSU-OAHLLOKOSA-N 1 2 311.345 3.136 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)nc2c1 ZINC000361268077 433074530 /nfs/dbraw/zinc/07/45/30/433074530.db2.gz UAAGCKSMXXMHSU-OAHLLOKOSA-N 1 2 311.345 3.136 20 5 DGBDLO CCOC(=O)c1coc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000354565953 433153082 /nfs/dbraw/zinc/15/30/82/433153082.db2.gz KPCZNSUEKJKEHM-LLVKDONJSA-N 1 2 318.329 3.215 20 5 DGBDLO COc1cc(NCc2cc(C)[nH+]c(C)c2)c(F)cc1[N+](=O)[O-] ZINC000420650407 433245374 /nfs/dbraw/zinc/24/53/74/433245374.db2.gz HTVNDCZZVMWDAP-UHFFFAOYSA-N 1 2 305.309 3.366 20 5 DGBDLO CCC(CC)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817791 433290056 /nfs/dbraw/zinc/29/00/56/433290056.db2.gz SJGSVVBWRSXDHS-UHFFFAOYSA-N 1 2 321.421 3.275 20 5 DGBDLO CC(C)([NH2+]Cc1nccn1C(F)F)c1ccccc1[N+](=O)[O-] ZINC000291681939 433312312 /nfs/dbraw/zinc/31/23/12/433312312.db2.gz HXHXLNOFMRCLRA-UHFFFAOYSA-N 1 2 310.304 3.211 20 5 DGBDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339080644 433345193 /nfs/dbraw/zinc/34/51/93/433345193.db2.gz BLLUNQFHSYGKHI-LBPRGKRZSA-N 1 2 314.341 3.084 20 5 DGBDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339080644 433345204 /nfs/dbraw/zinc/34/52/04/433345204.db2.gz BLLUNQFHSYGKHI-LBPRGKRZSA-N 1 2 314.341 3.084 20 5 DGBDLO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339092282 433354053 /nfs/dbraw/zinc/35/40/53/433354053.db2.gz RTODWVSKGWFCBB-HIFRSBDPSA-N 1 2 310.419 3.454 20 5 DGBDLO CCC1CCC([N@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339133324 433382458 /nfs/dbraw/zinc/38/24/58/433382458.db2.gz LTSDPQZGZDQLPL-UHFFFAOYSA-N 1 2 322.405 3.064 20 5 DGBDLO CCC1CCC([N@@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339133324 433382464 /nfs/dbraw/zinc/38/24/64/433382464.db2.gz LTSDPQZGZDQLPL-UHFFFAOYSA-N 1 2 322.405 3.064 20 5 DGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339140042 433386561 /nfs/dbraw/zinc/38/65/61/433386561.db2.gz JWCOZJYWMYKXCQ-KWQFWETISA-N 1 2 304.268 3.073 20 5 DGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339140042 433386571 /nfs/dbraw/zinc/38/65/71/433386571.db2.gz JWCOZJYWMYKXCQ-KWQFWETISA-N 1 2 304.268 3.073 20 5 DGBDLO CCN(CC)c1ccc(CNc2nccc(C)c2[N+](=O)[O-])c[nH+]1 ZINC000301310573 433500975 /nfs/dbraw/zinc/50/09/75/433500975.db2.gz ZWJBQGRWROWKTD-UHFFFAOYSA-N 1 2 315.377 3.152 20 5 DGBDLO Cc1cc(N2C[C@H](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301453832 433561981 /nfs/dbraw/zinc/56/19/81/433561981.db2.gz RHQBEEDBPFQLIC-RYUDHWBXSA-N 1 2 312.373 3.452 20 5 DGBDLO Cc1cc(N2C[C@H](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301453833 433562327 /nfs/dbraw/zinc/56/23/27/433562327.db2.gz RHQBEEDBPFQLIC-TXEJJXNPSA-N 1 2 312.373 3.452 20 5 DGBDLO O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000301508669 433585676 /nfs/dbraw/zinc/58/56/76/433585676.db2.gz DQGIPMMOVHYZGO-NSHDSACASA-N 1 2 307.741 3.098 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCn3c[nH+]cc3C2)o1 ZINC000368217179 293105668 /nfs/dbraw/zinc/10/56/68/293105668.db2.gz WHZFYFRVIKGAMQ-UHFFFAOYSA-N 1 2 324.340 3.067 20 5 DGBDLO Cc1ccc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000373881737 293326853 /nfs/dbraw/zinc/32/68/53/293326853.db2.gz LTZMZPFUOKCIGN-UHFFFAOYSA-N 1 2 314.389 3.068 20 5 DGBDLO Cc1ccc(C[N@H+](C)Cc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000373881737 293326854 /nfs/dbraw/zinc/32/68/54/293326854.db2.gz LTZMZPFUOKCIGN-UHFFFAOYSA-N 1 2 314.389 3.068 20 5 DGBDLO Cc1ccc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000373881737 293326856 /nfs/dbraw/zinc/32/68/56/293326856.db2.gz LTZMZPFUOKCIGN-UHFFFAOYSA-N 1 2 314.389 3.068 20 5 DGBDLO Cc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)nc(C(C)C)[nH+]1 ZINC000301841990 433753721 /nfs/dbraw/zinc/75/37/21/433753721.db2.gz ZIBCASGOZSQTEO-UHFFFAOYSA-N 1 2 312.373 3.379 20 5 DGBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1c(C)noc1C ZINC000339793234 433786912 /nfs/dbraw/zinc/78/69/12/433786912.db2.gz YNQINZPCTKYBNK-ZDUSSCGKSA-N 1 2 305.334 3.146 20 5 DGBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284240083 433868385 /nfs/dbraw/zinc/86/83/85/433868385.db2.gz VPORBCDYKROMFL-LLVKDONJSA-N 1 2 316.317 3.091 20 5 DGBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284240083 433868396 /nfs/dbraw/zinc/86/83/96/433868396.db2.gz VPORBCDYKROMFL-LLVKDONJSA-N 1 2 316.317 3.091 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC000285260983 433921076 /nfs/dbraw/zinc/92/10/76/433921076.db2.gz IYJHTXPRYRUDKD-HUUCEWRRSA-N 1 2 312.316 3.016 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC000285260983 433921089 /nfs/dbraw/zinc/92/10/89/433921089.db2.gz IYJHTXPRYRUDKD-HUUCEWRRSA-N 1 2 312.316 3.016 20 5 DGBDLO C[C@@H]1CCSCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285377715 433926734 /nfs/dbraw/zinc/92/67/34/433926734.db2.gz RPUXINWJPATUPK-SECBINFHSA-N 1 2 302.346 3.200 20 5 DGBDLO C[C@@H]1CCSCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285377715 433926741 /nfs/dbraw/zinc/92/67/41/433926741.db2.gz RPUXINWJPATUPK-SECBINFHSA-N 1 2 302.346 3.200 20 5 DGBDLO CC[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000352043459 433882923 /nfs/dbraw/zinc/88/29/23/433882923.db2.gz DMYVJOPQKBRLQR-SNVBAGLBSA-N 1 2 302.346 3.200 20 5 DGBDLO CC[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000352043459 433882933 /nfs/dbraw/zinc/88/29/33/433882933.db2.gz DMYVJOPQKBRLQR-SNVBAGLBSA-N 1 2 302.346 3.200 20 5 DGBDLO CCC(C)(C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449942290 433883561 /nfs/dbraw/zinc/88/35/61/433883561.db2.gz ZJSAFKZHZBJLJN-UHFFFAOYSA-N 1 2 316.361 3.041 20 5 DGBDLO O=[N+]([O-])c1ccc(CNc2[nH]c3cccc(Cl)c3[nH+]2)c(F)c1 ZINC000508484506 294324257 /nfs/dbraw/zinc/32/42/57/294324257.db2.gz RNTUQMHSVWOUEX-UHFFFAOYSA-N 1 2 320.711 3.298 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285992097 434130972 /nfs/dbraw/zinc/13/09/72/434130972.db2.gz CTNFJSPFFFQOPV-UHFFFAOYSA-N 1 2 316.336 3.341 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(OCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000517235172 294664191 /nfs/dbraw/zinc/66/41/91/294664191.db2.gz FDVHRCMFQXHHJA-UHFFFAOYSA-N 1 2 318.329 3.203 20 5 DGBDLO Cc1[nH]ncc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312808 434349635 /nfs/dbraw/zinc/34/96/35/434349635.db2.gz TZDPYPLCEPVPDP-MRXNPFEDSA-N 1 2 300.362 3.184 20 5 DGBDLO CC(=O)c1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450834741 434433576 /nfs/dbraw/zinc/43/35/76/434433576.db2.gz VKULBUNGCGDXDM-RNCFNFMXSA-N 1 2 300.318 3.112 20 5 DGBDLO CO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000296022234 434478891 /nfs/dbraw/zinc/47/88/91/434478891.db2.gz NDBNWDZEWPADBZ-AWEZNQCLSA-N 1 2 314.332 3.120 20 5 DGBDLO CO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000296022234 434478904 /nfs/dbraw/zinc/47/89/04/434478904.db2.gz NDBNWDZEWPADBZ-AWEZNQCLSA-N 1 2 314.332 3.120 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c(F)c1 ZINC000438482384 434490163 /nfs/dbraw/zinc/49/01/63/434490163.db2.gz ATECAQJUMQGUDD-OAHLLOKOSA-N 1 2 320.295 3.486 20 5 DGBDLO CC(C)([NH2+]Cc1nnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] ZINC000451056267 434549680 /nfs/dbraw/zinc/54/96/80/434549680.db2.gz QFFXLJZEIHQPSX-UHFFFAOYSA-N 1 2 318.402 3.349 20 5 DGBDLO COC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000459577715 434616832 /nfs/dbraw/zinc/61/68/32/434616832.db2.gz HRPHIDLMLHMUBV-UHFFFAOYSA-N 1 2 304.371 3.154 20 5 DGBDLO COC1(C)C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459593490 434624660 /nfs/dbraw/zinc/62/46/60/434624660.db2.gz VLZUBPLTNLPWBE-UHFFFAOYSA-N 1 2 302.330 3.076 20 5 DGBDLO CCN(CC)c1ccc(Nc2nc(C)ccc2[N+](=O)[O-])c[nH+]1 ZINC000360693080 434669760 /nfs/dbraw/zinc/66/97/60/434669760.db2.gz YEGZJEDKDQGETQ-UHFFFAOYSA-N 1 2 301.350 3.283 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nccs1 ZINC000411877730 434839861 /nfs/dbraw/zinc/83/98/61/434839861.db2.gz GKQVVYGYQHNVLK-JTQLQIEISA-N 1 2 307.375 3.301 20 5 DGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000535034635 435311253 /nfs/dbraw/zinc/31/12/53/435311253.db2.gz BMYMPWPPOQTQDB-UHFFFAOYSA-N 1 2 317.370 3.003 20 5 DGBDLO CCc1cc(N)nc(SCc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000619166216 435373300 /nfs/dbraw/zinc/37/33/00/435373300.db2.gz NEHCNWWKMFZFFN-UHFFFAOYSA-N 1 2 324.793 3.475 20 5 DGBDLO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC000483432589 435521460 /nfs/dbraw/zinc/52/14/60/435521460.db2.gz JFWOTMSEOOBXGY-OAHLLOKOSA-N 1 2 308.378 3.149 20 5 DGBDLO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC000483432589 435521465 /nfs/dbraw/zinc/52/14/65/435521465.db2.gz JFWOTMSEOOBXGY-OAHLLOKOSA-N 1 2 308.378 3.149 20 5 DGBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1c(F)cccc1F ZINC000569944774 435575061 /nfs/dbraw/zinc/57/50/61/435575061.db2.gz FVNZLZYQGXBCSY-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1c(F)cccc1F ZINC000569944774 435575066 /nfs/dbraw/zinc/57/50/66/435575066.db2.gz FVNZLZYQGXBCSY-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000519571402 435689093 /nfs/dbraw/zinc/68/90/93/435689093.db2.gz HKJZPMPNVIZHBO-LBPRGKRZSA-N 1 2 318.377 3.469 20 5 DGBDLO CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])cc2C)c[nH+]1 ZINC000539994265 313941763 /nfs/dbraw/zinc/94/17/63/313941763.db2.gz GDERVNFYXKSEAU-UHFFFAOYSA-N 1 2 301.350 3.283 20 5 DGBDLO CCc1ccc([N+](=O)[O-])cc1NCc1cc(OC)cc(C)[nH+]1 ZINC000571929550 315755020 /nfs/dbraw/zinc/75/50/20/315755020.db2.gz LMYZFWCBHRJFQZ-UHFFFAOYSA-N 1 2 301.346 3.481 20 5 DGBDLO CC(C)CCc1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180416186 323229270 /nfs/dbraw/zinc/22/92/70/323229270.db2.gz DTVATCWQEYNQBL-LBPRGKRZSA-N 1 2 318.377 3.417 20 5 DGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180436391 323229528 /nfs/dbraw/zinc/22/95/28/323229528.db2.gz RCQQPEYIXZUJHV-LBPRGKRZSA-N 1 2 324.340 3.496 20 5 DGBDLO CC(C)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351057483 323536234 /nfs/dbraw/zinc/53/62/34/323536234.db2.gz ZZRDGBVHTIMJTB-UHFFFAOYSA-N 1 2 313.317 3.029 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(CO)CCCC3)c2c1 ZINC000413238527 534884821 /nfs/dbraw/zinc/88/48/21/534884821.db2.gz VDZIBLKACFYCMJ-UHFFFAOYSA-N 1 2 301.346 3.108 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CCC[C@H](O)C3)c2c1 ZINC000413164268 534884950 /nfs/dbraw/zinc/88/49/50/534884950.db2.gz QPLHCBVMTMXYIK-RISCZKNCSA-N 1 2 301.346 3.106 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](COC(F)F)C3)c2c1 ZINC000413290168 534885020 /nfs/dbraw/zinc/88/50/20/534885020.db2.gz IHLWQTFBTZMGNT-SNVBAGLBSA-N 1 2 323.299 3.209 20 5 DGBDLO CC(C)[C@H](O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413231396 527717206 /nfs/dbraw/zinc/71/72/06/527717206.db2.gz SPRVUWYVOQIEQY-HNNXBMFYSA-N 1 2 315.373 3.352 20 5 DGBDLO CCOC[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413175012 529031041 /nfs/dbraw/zinc/03/10/41/529031041.db2.gz QOCIURITWLNJTO-LBPRGKRZSA-N 1 2 301.346 3.006 20 5 DGBDLO CC(C)[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1[nH]cc[nH+]1 ZINC000296812971 529127377 /nfs/dbraw/zinc/12/73/77/529127377.db2.gz QETNSWXPSXRTLH-LBPRGKRZSA-N 1 2 300.322 3.003 20 5 DGBDLO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000430206560 529371989 /nfs/dbraw/zinc/37/19/89/529371989.db2.gz WQMWEXYTKRDAQR-HNNXBMFYSA-N 1 2 321.402 3.475 20 5 DGBDLO CCO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000451547031 535631145 /nfs/dbraw/zinc/63/11/45/535631145.db2.gz STKAMQVXPLLZPB-BONVTDFDSA-N 1 2 314.332 3.120 20 5 DGBDLO CCO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000451547031 535631149 /nfs/dbraw/zinc/63/11/49/535631149.db2.gz STKAMQVXPLLZPB-BONVTDFDSA-N 1 2 314.332 3.120 20 5 DGBDLO Cc1cnc(OCc2ccc(-n3cc[nH+]c3)cc2C)c([N+](=O)[O-])c1 ZINC000191565256 546226281 /nfs/dbraw/zinc/22/62/81/546226281.db2.gz DJGKEKPHWYDEOO-UHFFFAOYSA-N 1 2 324.340 3.371 20 5 DGBDLO CCCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729073153 575213586 /nfs/dbraw/zinc/21/35/86/575213586.db2.gz RKSPOLYKQLXDFE-UHFFFAOYSA-N 1 2 303.318 3.128 20 5 DGBDLO CCOc1ccc(C[N@H+](Cn2nccc2[N+](=O)[O-])C(C)C)cc1 ZINC000746044451 575427979 /nfs/dbraw/zinc/42/79/79/575427979.db2.gz LKYNHRUFBOBBEU-UHFFFAOYSA-N 1 2 318.377 3.058 20 5 DGBDLO CCOc1ccc(C[N@@H+](Cn2nccc2[N+](=O)[O-])C(C)C)cc1 ZINC000746044451 575427981 /nfs/dbraw/zinc/42/79/81/575427981.db2.gz LKYNHRUFBOBBEU-UHFFFAOYSA-N 1 2 318.377 3.058 20 5 DGBDLO Cc1ccccc1C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747821870 575543777 /nfs/dbraw/zinc/54/37/77/575543777.db2.gz NRPADPVACWNIBS-UHFFFAOYSA-N 1 2 303.293 3.089 20 5 DGBDLO Cc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c([N+](=O)[O-])s1 ZINC000853412595 620693719 /nfs/dbraw/zinc/69/37/19/620693719.db2.gz CAPJDHWHCWPIBY-UHFFFAOYSA-N 1 2 319.377 3.130 20 5 DGBDLO Cc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c([N+](=O)[O-])s1 ZINC000853412595 620693721 /nfs/dbraw/zinc/69/37/21/620693721.db2.gz CAPJDHWHCWPIBY-UHFFFAOYSA-N 1 2 319.377 3.130 20 5 DGBDLO COc1c(O)ccc(C[N@H+](C)Cc2cccs2)c1[N+](=O)[O-] ZINC000891473291 617809217 /nfs/dbraw/zinc/80/92/17/617809217.db2.gz CREBGDMJTQSAJH-UHFFFAOYSA-N 1 2 308.359 3.003 20 5 DGBDLO COc1c(O)ccc(C[N@@H+](C)Cc2cccs2)c1[N+](=O)[O-] ZINC000891473291 617809224 /nfs/dbraw/zinc/80/92/24/617809224.db2.gz CREBGDMJTQSAJH-UHFFFAOYSA-N 1 2 308.359 3.003 20 5 DGBDLO CC[C@H]([NH2+][C@H](C)c1nn(CC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000925231054 619087024 /nfs/dbraw/zinc/08/70/24/619087024.db2.gz RITMDYVVOQKCHQ-ABAIWWIYSA-N 1 2 317.393 3.317 20 5 DGBDLO Cc1c(NCc2c[nH+]cn2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000901471935 619506706 /nfs/dbraw/zinc/50/67/06/619506706.db2.gz SXIZAVQTROYVGC-UHFFFAOYSA-N 1 2 314.267 3.268 20 5 DGBDLO COc1cc([C@H](C)[NH2+]Cc2nc(C)cs2)cc([N+](=O)[O-])c1 ZINC000903064881 619709622 /nfs/dbraw/zinc/70/96/22/619709622.db2.gz AQZUUHQMLRGIAK-JTQLQIEISA-N 1 2 307.375 3.219 20 5 DGBDLO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc([N+](=O)[O-])c1 ZINC000903187155 619736892 /nfs/dbraw/zinc/73/68/92/619736892.db2.gz QYZNHRAJQUBQFM-JRPNMDOOSA-N 1 2 316.361 3.157 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000903333926 619759038 /nfs/dbraw/zinc/75/90/38/619759038.db2.gz VIRFKGGYJJPEDM-BLLLJJGKSA-N 1 2 312.373 3.495 20 5 DGBDLO Cc1cc(C)c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000906314426 620084669 /nfs/dbraw/zinc/08/46/69/620084669.db2.gz BWMHFVUTPXBUEJ-GFCCVEGCSA-N 1 2 313.357 3.406 20 5 DGBDLO O=[N+]([O-])c1c(F)nccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000881786491 625563900 /nfs/dbraw/zinc/56/39/00/625563900.db2.gz JVVIUMUTJVKMCI-UHFFFAOYSA-N 1 2 317.324 3.258 20 5 DGBDLO COc1cc(F)c([N+](=O)[O-])c(Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC000771241788 622730918 /nfs/dbraw/zinc/73/09/18/622730918.db2.gz YTZRFLPDLKOLLP-UHFFFAOYSA-N 1 2 316.292 3.373 20 5 DGBDLO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045954 622772314 /nfs/dbraw/zinc/77/23/14/622772314.db2.gz TWSVRFFFORKDJZ-IINYFYTJSA-N 1 2 322.311 3.257 20 5 DGBDLO CCc1noc(C)c1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072765 622790062 /nfs/dbraw/zinc/79/00/62/622790062.db2.gz JTQNQSVSUNXNIR-VIFPVBQESA-N 1 2 307.325 3.444 20 5 DGBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000873114008 623038957 /nfs/dbraw/zinc/03/89/57/623038957.db2.gz RQGXLSNUUHZGJQ-JQWIXIFHSA-N 1 2 317.393 3.386 20 5 DGBDLO CCC[N@@H+](Cc1ccc(F)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859661 623823107 /nfs/dbraw/zinc/82/31/07/623823107.db2.gz XAAVBKZUQPVAAF-UHFFFAOYSA-N 1 2 306.341 3.109 20 5 DGBDLO CCC[N@H+](Cc1ccc(F)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859661 623823110 /nfs/dbraw/zinc/82/31/10/623823110.db2.gz XAAVBKZUQPVAAF-UHFFFAOYSA-N 1 2 306.341 3.109 20 5 DGBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1c(F)cncc1F ZINC000796626309 626067451 /nfs/dbraw/zinc/06/74/51/626067451.db2.gz ORCMOHMJYWZKMA-QMMMGPOBSA-N 1 2 311.263 3.258 20 5 DGBDLO COc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000801539735 626408974 /nfs/dbraw/zinc/40/89/74/626408974.db2.gz OKNHMKORKGMFTN-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000801539735 626408976 /nfs/dbraw/zinc/40/89/76/626408976.db2.gz OKNHMKORKGMFTN-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000840148288 626867482 /nfs/dbraw/zinc/86/74/82/626867482.db2.gz CDYYUIFMSKPGMF-HNNXBMFYSA-N 1 2 318.352 3.342 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@H]2c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000840148288 626867486 /nfs/dbraw/zinc/86/74/86/626867486.db2.gz CDYYUIFMSKPGMF-HNNXBMFYSA-N 1 2 318.352 3.342 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000885961435 627070873 /nfs/dbraw/zinc/07/08/73/627070873.db2.gz YBUUWHVZKIXJMN-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000885961435 627070875 /nfs/dbraw/zinc/07/08/75/627070875.db2.gz YBUUWHVZKIXJMN-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO CCC/C=C/COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000813908407 627520514 /nfs/dbraw/zinc/52/05/14/627520514.db2.gz BKUVVERQYRYQGV-SNAWJCMRSA-N 1 2 315.329 3.294 20 5 DGBDLO COc1ccc(C[NH2+][C@H]2CCCc3oc(C)nc32)cc1[N+](=O)[O-] ZINC000924843121 627686276 /nfs/dbraw/zinc/68/62/76/627686276.db2.gz YLIJZRGQFGRKGG-LBPRGKRZSA-N 1 2 317.345 3.067 20 5 DGBDLO CCC[C@H]([NH2+]Cc1nn(CC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000818345946 628016789 /nfs/dbraw/zinc/01/67/89/628016789.db2.gz YPPFINJHUPBXFG-HNNXBMFYSA-N 1 2 317.393 3.146 20 5 DGBDLO Cc1cc(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1[NH+](C)C ZINC000819407785 628149549 /nfs/dbraw/zinc/14/95/49/628149549.db2.gz BOJZHSDBRIWBIA-KRWDZBQOSA-N 1 2 315.373 3.115 20 5 DGBDLO CCCCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000822346876 628443300 /nfs/dbraw/zinc/44/33/00/628443300.db2.gz QIJUWDFJDCENON-UHFFFAOYSA-N 1 2 316.361 3.091 20 5 DGBDLO CC(C)c1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1[N+](=O)[O-] ZINC000824520863 628666507 /nfs/dbraw/zinc/66/65/07/628666507.db2.gz CKYJVGWCWATWPV-AWEZNQCLSA-N 1 2 300.362 3.149 20 5 DGBDLO CCC(CC)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835223391 629882267 /nfs/dbraw/zinc/88/22/67/629882267.db2.gz OYYWHWFKXHYHCR-UHFFFAOYSA-N 1 2 303.318 3.126 20 5 DGBDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000844326868 630719171 /nfs/dbraw/zinc/71/91/71/630719171.db2.gz LFOSQYDGFVRPQN-NWDGAFQWSA-N 1 2 303.318 3.047 20 5 DGBDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000848755938 631742256 /nfs/dbraw/zinc/74/22/56/631742256.db2.gz MSZZYZZKWGGLFC-UHFFFAOYSA-N 1 2 316.317 3.169 20 5 DGBDLO Cn1c(Cl)ncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000848881694 631769372 /nfs/dbraw/zinc/76/93/72/631769372.db2.gz RGWFAHFNKHFCOQ-UHFFFAOYSA-N 1 2 320.780 3.146 20 5 DGBDLO Cn1c(Cl)ncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000848881694 631769379 /nfs/dbraw/zinc/76/93/79/631769379.db2.gz RGWFAHFNKHFCOQ-UHFFFAOYSA-N 1 2 320.780 3.146 20 5 DGBDLO CC(C)[N@@H+](Cc1cccc(Cl)c1)Cn1nccc1[N+](=O)[O-] ZINC000123982983 656211926 /nfs/dbraw/zinc/21/19/26/656211926.db2.gz DWCORQXTQHXQAF-UHFFFAOYSA-N 1 2 308.769 3.313 20 5 DGBDLO CC(C)[N@H+](Cc1cccc(Cl)c1)Cn1nccc1[N+](=O)[O-] ZINC000123982983 656211927 /nfs/dbraw/zinc/21/19/27/656211927.db2.gz DWCORQXTQHXQAF-UHFFFAOYSA-N 1 2 308.769 3.313 20 5 DGBDLO Cc1cc(C)c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(C)[nH+]1 ZINC001332092400 1178357834 /nfs/dbraw/zinc/35/78/34/1178357834.db2.gz GKGQMZUQEFUGJY-UHFFFAOYSA-N 1 2 311.341 3.071 20 5 DGBDLO O=[N+]([O-])c1c(NCCCn2cc[nH+]c2)cccc1C(F)(F)F ZINC001349959919 1179985142 /nfs/dbraw/zinc/98/51/42/1179985142.db2.gz DXQNEQRBTHYPLH-UHFFFAOYSA-N 1 2 314.267 3.312 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)Oc3cc([N+](=O)[O-])ccc3C)ccn12 ZINC001357291178 1181380683 /nfs/dbraw/zinc/38/06/83/1181380683.db2.gz XQMPOPCQSDTEFU-UHFFFAOYSA-N 1 2 311.297 3.079 20 5 DGBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C)[nH+]1 ZINC001436878980 1181913228 /nfs/dbraw/zinc/91/32/28/1181913228.db2.gz DZZFCEIVYXNILJ-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)ccn12 ZINC001458296281 1182512035 /nfs/dbraw/zinc/51/20/35/1182512035.db2.gz OSJMUAQGSFYNEM-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001460778286 1182720589 /nfs/dbraw/zinc/72/05/89/1182720589.db2.gz FLJDXRYFZGCFMH-SNVBAGLBSA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001460778286 1182720597 /nfs/dbraw/zinc/72/05/97/1182720597.db2.gz FLJDXRYFZGCFMH-SNVBAGLBSA-N 1 2 320.780 3.166 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC001461428703 1182813353 /nfs/dbraw/zinc/81/33/53/1182813353.db2.gz BEDBRHCRITUSRK-ZDUSSCGKSA-N 1 2 306.268 3.096 20 5 DGBDLO Cc1c(C[NH2+]Cc2ccc(O)c(F)c2F)cccc1[N+](=O)[O-] ZINC001462086526 1182906117 /nfs/dbraw/zinc/90/61/17/1182906117.db2.gz LXADTHANXRXREC-UHFFFAOYSA-N 1 2 308.284 3.177 20 5 DGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c(F)nccc1Cl ZINC001462146707 1182915704 /nfs/dbraw/zinc/91/57/04/1182915704.db2.gz IXBUDYYHHZLECJ-UHFFFAOYSA-N 1 2 323.755 3.457 20 5 DGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c(F)nccc1Cl ZINC001462146707 1182915709 /nfs/dbraw/zinc/91/57/09/1182915709.db2.gz IXBUDYYHHZLECJ-UHFFFAOYSA-N 1 2 323.755 3.457 20 5 DGBDLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001473486874 1183762663 /nfs/dbraw/zinc/76/26/63/1183762663.db2.gz SSWJXWPXESDNIE-ZFWWWQNUSA-N 1 2 320.389 3.116 20 5 DGBDLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001473486874 1183762668 /nfs/dbraw/zinc/76/26/68/1183762668.db2.gz SSWJXWPXESDNIE-ZFWWWQNUSA-N 1 2 320.389 3.116 20 5 DGBDLO Cc1cc(NC(=O)NCc2c[nH+]c(C)cc2C)cc([N+](=O)[O-])c1 ZINC001517923303 1186825658 /nfs/dbraw/zinc/82/56/58/1186825658.db2.gz XTOHJLXZGGOJBL-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO Cc1cn2cc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)ccc2[nH+]1 ZINC001519731677 1186891746 /nfs/dbraw/zinc/89/17/46/1186891746.db2.gz KNDASVPJDFFOOO-UHFFFAOYSA-N 1 2 324.340 3.420 20 5 DGBDLO O=C(CCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001540032962 1188214660 /nfs/dbraw/zinc/21/46/60/1188214660.db2.gz YGTMCIBIVVDFBX-UHFFFAOYSA-N 1 2 324.340 3.363 20 5 DGBDLO CCc1cc(NCCc2cccc([N+](=O)[O-])c2)nc(CC)[nH+]1 ZINC001559156559 1189175978 /nfs/dbraw/zinc/17/59/78/1189175978.db2.gz CCKUINORPRZZRC-UHFFFAOYSA-N 1 2 300.362 3.164 20 5 DGBDLO O=[N+]([O-])c1ccc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC001640327218 1194806925 /nfs/dbraw/zinc/80/69/25/1194806925.db2.gz ZOZTXGGAYGBJDB-OAHLLOKOSA-N 1 2 309.329 3.040 20 5 DGBDLO CC[N@@H+](c1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1)C(C)C ZINC001642036567 1194885138 /nfs/dbraw/zinc/88/51/38/1194885138.db2.gz LVFJPTBUOBKZTH-UHFFFAOYSA-N 1 2 303.366 3.307 20 5 DGBDLO CC[N@H+](c1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1)C(C)C ZINC001642036567 1194885139 /nfs/dbraw/zinc/88/51/39/1194885139.db2.gz LVFJPTBUOBKZTH-UHFFFAOYSA-N 1 2 303.366 3.307 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])[nH+]c1C ZINC001644481023 1195111905 /nfs/dbraw/zinc/11/19/05/1195111905.db2.gz UHNQRTCMKHNKEE-OAHLLOKOSA-N 1 2 318.352 3.411 20 5 DGBDLO CO[C@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC001644731351 1195129940 /nfs/dbraw/zinc/12/99/40/1195129940.db2.gz QXRGRVJTLGRXIZ-QGZVFWFLSA-N 1 2 316.332 3.437 20 5 DGBDLO CO[C@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC001644731351 1195129941 /nfs/dbraw/zinc/12/99/41/1195129941.db2.gz QXRGRVJTLGRXIZ-QGZVFWFLSA-N 1 2 316.332 3.437 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCn3ccnc32)o1 ZINC001651114313 1195415434 /nfs/dbraw/zinc/41/54/34/1195415434.db2.gz YLXZTRXQWWKCFR-AWEZNQCLSA-N 1 2 324.340 3.286 20 5 DGBDLO CN(C)c1[nH+]cc(COc2cccnc2[N+](=O)[O-])c2ccccc21 ZINC001651599532 1195485142 /nfs/dbraw/zinc/48/51/42/1195485142.db2.gz QOTBJDPAVCFYRY-UHFFFAOYSA-N 1 2 324.340 3.183 20 5 DGBDLO Cc1cc(CNc2ncnc3sc([N+](=O)[O-])cc32)cc(C)[nH+]1 ZINC001651957457 1195528185 /nfs/dbraw/zinc/52/81/85/1195528185.db2.gz MJNHLRFUFPPOPC-UHFFFAOYSA-N 1 2 315.358 3.223 20 5 DGBDLO Cc1cnc(NCCn2c[nH+]cc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC001655723831 1195956622 /nfs/dbraw/zinc/95/66/22/1195956622.db2.gz BNPLISLJRJZCFO-UHFFFAOYSA-N 1 2 323.356 3.274 20 5 DGBDLO C[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccccc1[N+](=O)[O-] ZINC001656898247 1196081138 /nfs/dbraw/zinc/08/11/38/1196081138.db2.gz HORVQYBYTAINAH-LLVKDONJSA-N 1 2 314.320 3.232 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2noc3ccc(F)cc32)c(F)c1 ZINC001658749780 1196295597 /nfs/dbraw/zinc/29/55/97/1196295597.db2.gz WJMNCAPGOJRGOZ-UHFFFAOYSA-N 1 2 319.267 3.304 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2Cc2ccc(F)cc2[N+](=O)[O-])[nH+]c1C ZINC001660122781 1196447999 /nfs/dbraw/zinc/44/79/99/1196447999.db2.gz PLTCDCUOZBTZIB-AWEZNQCLSA-N 1 2 318.352 3.411 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC001660121844 1196448442 /nfs/dbraw/zinc/44/84/42/1196448442.db2.gz CFMFNUAKNZAZOS-OAHLLOKOSA-N 1 2 300.362 3.272 20 5 DGBDLO CCCCC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001169551773 1081588819 /nfs/dbraw/zinc/58/88/19/1081588819.db2.gz VUQONJTUJCZROK-LBPRGKRZSA-N 1 2 319.405 3.142 20 5 DGBDLO CCCCC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001169551773 1081588825 /nfs/dbraw/zinc/58/88/25/1081588825.db2.gz VUQONJTUJCZROK-LBPRGKRZSA-N 1 2 319.405 3.142 20 5 DGBDLO [NH2+]=CNc1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001167865277 1084271395 /nfs/dbraw/zinc/27/13/95/1084271395.db2.gz NFJVOUWFNHONLR-UHFFFAOYSA-N 1 2 309.738 3.208 20 5 DGBDLO CCNc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC001307235694 1091967381 /nfs/dbraw/zinc/96/73/81/1091967381.db2.gz WATGEHCUDNHXSG-UHFFFAOYSA-N 1 2 310.317 3.108 20 5 DGBDLO O=[N+]([O-])c1ccc(CO[C@H]2C[NH2+]CC(F)(F)C2)c2ccccc21 ZINC001217857274 1094505242 /nfs/dbraw/zinc/50/52/42/1094505242.db2.gz VFKZFPWCWJXUBI-GFCCVEGCSA-N 1 2 322.311 3.262 20 5 DGBDLO FC1(F)C[NH2+]C[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218235759 1094670310 /nfs/dbraw/zinc/67/03/10/1094670310.db2.gz DBNBWVVXGQVPKY-OAHLLOKOSA-N 1 2 300.308 3.374 20 5 DGBDLO Cc1c(COC2C[NH+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001223330876 1095938111 /nfs/dbraw/zinc/93/81/11/1095938111.db2.gz DFADTFOJYXVIQM-UHFFFAOYSA-N 1 2 312.369 3.304 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](F)C2)c1F ZINC001173188497 1097357624 /nfs/dbraw/zinc/35/76/24/1097357624.db2.gz FURGXQDNSWUFFY-MNOVXSKESA-N 1 2 314.332 3.107 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@H](F)C2)c1F ZINC001173188497 1097357628 /nfs/dbraw/zinc/35/76/28/1097357628.db2.gz FURGXQDNSWUFFY-MNOVXSKESA-N 1 2 314.332 3.107 20 5 DGBDLO CC(C)[NH+]1CC(Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229832870 1097395670 /nfs/dbraw/zinc/39/56/70/1097395670.db2.gz VQFHKQYNKAHOHK-UHFFFAOYSA-N 1 2 304.268 3.085 20 5 DGBDLO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001176144591 1098257780 /nfs/dbraw/zinc/25/77/80/1098257780.db2.gz HHYPAJXNSBEDCH-JTQLQIEISA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001176144591 1098257790 /nfs/dbraw/zinc/25/77/90/1098257790.db2.gz HHYPAJXNSBEDCH-JTQLQIEISA-N 1 2 320.780 3.166 20 5 DGBDLO CCOc1cc(Nc2ccc(OC)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001176361076 1098331815 /nfs/dbraw/zinc/33/18/15/1098331815.db2.gz MCYUHNIUYOGVLF-UHFFFAOYSA-N 1 2 303.318 3.449 20 5 DGBDLO O=C(CCc1[nH]cc[nH+]1)Nc1cc2cccnc2c2ncccc12 ZINC001177997077 1098672324 /nfs/dbraw/zinc/67/23/24/1098672324.db2.gz YGQBETFZNJRSRZ-UHFFFAOYSA-N 1 2 317.352 3.077 20 5 DGBDLO O=[N+]([O-])c1cc(O)cc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001199802829 1102217384 /nfs/dbraw/zinc/21/73/84/1102217384.db2.gz ZPSFXJBCMXARHX-UHFFFAOYSA-N 1 2 314.345 3.429 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1noc(C)n1 ZINC001329850543 1104399996 /nfs/dbraw/zinc/39/99/96/1104399996.db2.gz PXZZRDIGCVOZNE-HUYFXPKMSA-N 1 2 302.334 3.040 20 5 DGBDLO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001249544510 1105308578 /nfs/dbraw/zinc/30/85/78/1105308578.db2.gz NXQWKRJTNLRTGS-UHFFFAOYSA-N 1 2 313.361 3.427 20 5 DGBDLO OC1(CNc2ccc3[nH+]c4ccccc4cc3c2)CCOCC1 ZINC001252967347 1105860988 /nfs/dbraw/zinc/86/09/88/1105860988.db2.gz LJYUYQZBHSKUNN-UHFFFAOYSA-N 1 2 308.381 3.341 20 5 DGBDLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535099 1106097801 /nfs/dbraw/zinc/09/78/01/1106097801.db2.gz GOOUTJHKPMFFIC-ZFWWWQNUSA-N 1 2 322.405 3.093 20 5 DGBDLO CC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560485 1106104027 /nfs/dbraw/zinc/10/40/27/1106104027.db2.gz UCPCYKUOCBBKOD-ZDUSSCGKSA-N 1 2 322.405 3.189 20 5 DGBDLO CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560485 1106104032 /nfs/dbraw/zinc/10/40/32/1106104032.db2.gz UCPCYKUOCBBKOD-ZDUSSCGKSA-N 1 2 322.405 3.189 20 5 DGBDLO Cc1nn(C)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1Cl ZINC001262371148 1107701630 /nfs/dbraw/zinc/70/16/30/1107701630.db2.gz BRZLTCSZKSYOHW-UHFFFAOYSA-N 1 2 322.796 3.315 20 5 DGBDLO O=[N+]([O-])c1cnc(NCc2ccn3cc[nH+]c3c2)c2ccccc21 ZINC001306998262 1111259510 /nfs/dbraw/zinc/25/95/10/1111259510.db2.gz MDFSAJSHDKPRAB-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)[nH+]c1C ZINC001308071391 1111374659 /nfs/dbraw/zinc/37/46/59/1111374659.db2.gz SJOJDYFYCZBAET-OAHLLOKOSA-N 1 2 318.352 3.411 20 5 DGBDLO CCc1cc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc(C)[nH+]1 ZINC000302109045 529529420 /nfs/dbraw/zinc/52/94/20/529529420.db2.gz SUXWIJAHUGGGAS-UHFFFAOYSA-N 1 2 312.373 3.425 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)o2)cc1[N+](=O)[O-] ZINC000181818688 199356914 /nfs/dbraw/zinc/35/69/14/199356914.db2.gz DRDQRYOFPAVYNR-LLVKDONJSA-N 1 2 304.350 3.260 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286929189 219230874 /nfs/dbraw/zinc/23/08/74/219230874.db2.gz BNZLEICOSXYUTR-UHFFFAOYSA-N 1 2 314.345 3.005 20 5 DGBDLO CCC(=O)c1ccc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000280005605 215306530 /nfs/dbraw/zinc/30/65/30/215306530.db2.gz IHBCYHWWZOWTKY-UHFFFAOYSA-N 1 2 314.345 3.107 20 5 DGBDLO Cc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000237482010 186295564 /nfs/dbraw/zinc/29/55/64/186295564.db2.gz BAPSJLUKJCDCFX-LLVKDONJSA-N 1 2 318.377 3.435 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000172014626 198026294 /nfs/dbraw/zinc/02/62/94/198026294.db2.gz VDFZMMOLSRXCFU-UHFFFAOYSA-N 1 2 314.345 3.191 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccsc2C1 ZINC000132806996 432053503 /nfs/dbraw/zinc/05/35/03/432053503.db2.gz SMZYFADEAGVCOA-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccsc2C1 ZINC000132806996 432053504 /nfs/dbraw/zinc/05/35/04/432053504.db2.gz SMZYFADEAGVCOA-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO Cc1cc(N)nc(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)[nH+]1 ZINC000180007523 199105281 /nfs/dbraw/zinc/10/52/81/199105281.db2.gz GWPURXAEQLRXOJ-JTQLQIEISA-N 1 2 304.375 3.437 20 5 DGBDLO CCC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281138997 216106333 /nfs/dbraw/zinc/10/63/33/216106333.db2.gz UJZOQJNHAWSZOF-NYHFZMIOSA-N 1 2 324.446 3.327 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000430211671 238071480 /nfs/dbraw/zinc/07/14/80/238071480.db2.gz JSNMJBKYFISHMP-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000430211671 238071482 /nfs/dbraw/zinc/07/14/82/238071482.db2.gz JSNMJBKYFISHMP-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cnc(C)s1 ZINC000430211955 238071528 /nfs/dbraw/zinc/07/15/28/238071528.db2.gz KSOHIXZCHQFHGH-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000430211955 238071529 /nfs/dbraw/zinc/07/15/29/238071529.db2.gz KSOHIXZCHQFHGH-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193688141 201105494 /nfs/dbraw/zinc/10/54/94/201105494.db2.gz MPFVJNJDYCIVHQ-JTQLQIEISA-N 1 2 305.290 3.289 20 5 DGBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193688141 201105498 /nfs/dbraw/zinc/10/54/98/201105498.db2.gz MPFVJNJDYCIVHQ-JTQLQIEISA-N 1 2 305.290 3.289 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c(F)c1 ZINC000442995081 239162655 /nfs/dbraw/zinc/16/26/55/239162655.db2.gz ATECAQJUMQGUDD-HNNXBMFYSA-N 1 2 320.295 3.486 20 5 DGBDLO Cc1cc(C)c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)c[nH+]1 ZINC000455181234 242128069 /nfs/dbraw/zinc/12/80/69/242128069.db2.gz IVQQUXBAKPJRCH-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000121488378 284198441 /nfs/dbraw/zinc/19/84/41/284198441.db2.gz IAYNYHVOLVAHRE-GOSISDBHSA-N 1 2 312.369 3.342 20 5 DGBDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000121488378 284198445 /nfs/dbraw/zinc/19/84/45/284198445.db2.gz IAYNYHVOLVAHRE-GOSISDBHSA-N 1 2 312.369 3.342 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488219577 245161962 /nfs/dbraw/zinc/16/19/62/245161962.db2.gz MDKRFHYKMPQUMQ-ZDUSSCGKSA-N 1 2 322.405 3.381 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488219577 245161963 /nfs/dbraw/zinc/16/19/63/245161963.db2.gz MDKRFHYKMPQUMQ-ZDUSSCGKSA-N 1 2 322.405 3.381 20 5 DGBDLO COc1ccc(C[NH2+][C@H](C)c2csc(C)n2)cc1[N+](=O)[O-] ZINC000264557358 203995450 /nfs/dbraw/zinc/99/54/50/203995450.db2.gz DWYSXBJDBCTGQO-SECBINFHSA-N 1 2 307.375 3.219 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282462930 217014106 /nfs/dbraw/zinc/01/41/06/217014106.db2.gz JXTVWFCDYLAYDM-INIZCTEOSA-N 1 2 318.352 3.195 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282462930 217014108 /nfs/dbraw/zinc/01/41/08/217014108.db2.gz JXTVWFCDYLAYDM-INIZCTEOSA-N 1 2 318.352 3.195 20 5 DGBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282462935 217014259 /nfs/dbraw/zinc/01/42/59/217014259.db2.gz JXTVWFCDYLAYDM-MRXNPFEDSA-N 1 2 318.352 3.195 20 5 DGBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282462935 217014262 /nfs/dbraw/zinc/01/42/62/217014262.db2.gz JXTVWFCDYLAYDM-MRXNPFEDSA-N 1 2 318.352 3.195 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282595643 217113405 /nfs/dbraw/zinc/11/34/05/217113405.db2.gz FMEZXEXBZMLEQM-UHFFFAOYSA-N 1 2 314.345 3.005 20 5 DGBDLO CC(C)c1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000269107670 207246267 /nfs/dbraw/zinc/24/62/67/207246267.db2.gz VFSNQFKOBRBWEK-SNVBAGLBSA-N 1 2 306.391 3.421 20 5 DGBDLO Cc1cccn2cc(CSc3ncccc3[N+](=O)[O-])[nH+]c12 ZINC000065693131 184377019 /nfs/dbraw/zinc/37/70/19/184377019.db2.gz LXFYQUIAOWVQIQ-UHFFFAOYSA-N 1 2 300.343 3.238 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c(F)c1 ZINC000270191730 208255847 /nfs/dbraw/zinc/25/58/47/208255847.db2.gz BDUXVIFELKDSSH-UHFFFAOYSA-N 1 2 304.243 3.428 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(F)c1 ZINC000270191730 208255850 /nfs/dbraw/zinc/25/58/50/208255850.db2.gz BDUXVIFELKDSSH-UHFFFAOYSA-N 1 2 304.243 3.428 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000338987660 253384272 /nfs/dbraw/zinc/38/42/72/253384272.db2.gz DXLDBIMWMFAYLT-UHFFFAOYSA-N 1 2 302.315 3.093 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000338987660 253384274 /nfs/dbraw/zinc/38/42/74/253384274.db2.gz DXLDBIMWMFAYLT-UHFFFAOYSA-N 1 2 302.315 3.093 20 5 DGBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000338996855 253386007 /nfs/dbraw/zinc/38/60/07/253386007.db2.gz IKZQYGJGQFYIMS-MRXNPFEDSA-N 1 2 312.369 3.290 20 5 DGBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000338996855 253386009 /nfs/dbraw/zinc/38/60/09/253386009.db2.gz IKZQYGJGQFYIMS-MRXNPFEDSA-N 1 2 312.369 3.290 20 5 DGBDLO Cc1cccc(CCCNc2nc3sccn3c2[N+](=O)[O-])[nH+]1 ZINC000343224176 254117101 /nfs/dbraw/zinc/11/71/01/254117101.db2.gz KGCXRMXVLHPMTA-UHFFFAOYSA-N 1 2 317.374 3.052 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000344182769 254236700 /nfs/dbraw/zinc/23/67/00/254236700.db2.gz VWMSTCSQKHEVCP-UHFFFAOYSA-N 1 2 314.276 3.171 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000344182769 254236702 /nfs/dbraw/zinc/23/67/02/254236702.db2.gz VWMSTCSQKHEVCP-UHFFFAOYSA-N 1 2 314.276 3.171 20 5 DGBDLO Cc1cc(C)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000344208349 254239319 /nfs/dbraw/zinc/23/93/19/254239319.db2.gz GUBKXRYPLWEWTO-UHFFFAOYSA-N 1 2 303.293 3.306 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000430213056 533136654 /nfs/dbraw/zinc/13/66/54/533136654.db2.gz ADHVZTPHKTYTIH-JTQLQIEISA-N 1 2 307.375 3.219 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC000289566887 221073261 /nfs/dbraw/zinc/07/32/61/221073261.db2.gz OBPGONAYDUNGTB-CVEARBPZSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC000289566887 221073264 /nfs/dbraw/zinc/07/32/64/221073264.db2.gz OBPGONAYDUNGTB-CVEARBPZSA-N 1 2 320.364 3.267 20 5 DGBDLO COc1ccc(C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C2CC2)cc1 ZINC000595288842 400117585 /nfs/dbraw/zinc/11/75/85/400117585.db2.gz QCXQAQQUDDYBGR-UHFFFAOYSA-N 1 2 317.345 3.064 20 5 DGBDLO COc1ccc(C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C2CC2)cc1 ZINC000595288842 400117589 /nfs/dbraw/zinc/11/75/89/400117589.db2.gz QCXQAQQUDDYBGR-UHFFFAOYSA-N 1 2 317.345 3.064 20 5 DGBDLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052929 400091774 /nfs/dbraw/zinc/09/17/74/400091774.db2.gz TVHSJWBQQUJQME-RYUDHWBXSA-N 1 2 318.377 3.232 20 5 DGBDLO COc1ccc([C@@H](C)[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595288759 400117036 /nfs/dbraw/zinc/11/70/36/400117036.db2.gz LVKZIKACEGFHTO-LLVKDONJSA-N 1 2 305.334 3.093 20 5 DGBDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595288759 400117039 /nfs/dbraw/zinc/11/70/39/400117039.db2.gz LVKZIKACEGFHTO-LLVKDONJSA-N 1 2 305.334 3.093 20 5 DGBDLO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595565213 400189282 /nfs/dbraw/zinc/18/92/82/400189282.db2.gz DDJQFBFUUAGQJB-HZMBPMFUSA-N 1 2 323.780 3.061 20 5 DGBDLO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595565213 400189287 /nfs/dbraw/zinc/18/92/87/400189287.db2.gz DDJQFBFUUAGQJB-HZMBPMFUSA-N 1 2 323.780 3.061 20 5 DGBDLO Cc1cc(NCc2ccccc2-n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000091506224 400125542 /nfs/dbraw/zinc/12/55/42/400125542.db2.gz RNRBMIPVMXGMJD-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO CNc1ccc(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c[nH+]1 ZINC000092612330 400186047 /nfs/dbraw/zinc/18/60/47/400186047.db2.gz VOVWCYRIYSTNCV-UHFFFAOYSA-N 1 2 310.260 3.377 20 5 DGBDLO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)sn1 ZINC000595405041 400140865 /nfs/dbraw/zinc/14/08/65/400140865.db2.gz ROABMRPFNGVVMY-UHFFFAOYSA-N 1 2 319.386 3.225 20 5 DGBDLO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)sn1 ZINC000595405041 400140872 /nfs/dbraw/zinc/14/08/72/400140872.db2.gz ROABMRPFNGVVMY-UHFFFAOYSA-N 1 2 319.386 3.225 20 5 DGBDLO Cc1noc(C[NH2+][C@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000595433580 400149237 /nfs/dbraw/zinc/14/92/37/400149237.db2.gz XVVFXFRGWAONPV-SECBINFHSA-N 1 2 301.302 3.488 20 5 DGBDLO Cc1noc(C[NH2+][C@H](C)c2ccc3ncsc3c2)c1[N+](=O)[O-] ZINC000595446337 400153247 /nfs/dbraw/zinc/15/32/47/400153247.db2.gz CFDYBGDTUXEOSJ-MRVPVSSYSA-N 1 2 318.358 3.352 20 5 DGBDLO CCOc1cc(C[NH2+][C@@H](C)c2cscn2)ccc1[N+](=O)[O-] ZINC000595669598 400222559 /nfs/dbraw/zinc/22/25/59/400222559.db2.gz WYSLDBZFGPVNFG-JTQLQIEISA-N 1 2 307.375 3.301 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000610248000 400229519 /nfs/dbraw/zinc/22/95/19/400229519.db2.gz BSOASNNCLPUSGK-QWHCGFSZSA-N 1 2 300.362 3.259 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000610248000 400229522 /nfs/dbraw/zinc/22/95/22/400229522.db2.gz BSOASNNCLPUSGK-QWHCGFSZSA-N 1 2 300.362 3.259 20 5 DGBDLO Cc1cccn2cc(CNc3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000092826069 400207405 /nfs/dbraw/zinc/20/74/05/400207405.db2.gz YRCYUGVPOVBYGD-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595814979 400268114 /nfs/dbraw/zinc/26/81/14/400268114.db2.gz KGEQTQXFGJJMJF-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595814979 400268119 /nfs/dbraw/zinc/26/81/19/400268119.db2.gz KGEQTQXFGJJMJF-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO O=[N+]([O-])c1ncccc1NCc1[nH+]ccn1CCc1ccccc1 ZINC000610575892 400276359 /nfs/dbraw/zinc/27/63/59/400276359.db2.gz HFMWEQKRGYVYSF-UHFFFAOYSA-N 1 2 323.356 3.041 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610585389 400279582 /nfs/dbraw/zinc/27/95/82/400279582.db2.gz MTLLFGYWEFINOU-ISTVAULSSA-N 1 2 323.780 3.060 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000610585389 400279585 /nfs/dbraw/zinc/27/95/85/400279585.db2.gz MTLLFGYWEFINOU-ISTVAULSSA-N 1 2 323.780 3.060 20 5 DGBDLO COc1cc(NC[C@H](C)Cn2cc[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC000596080872 400312111 /nfs/dbraw/zinc/31/21/11/400312111.db2.gz OVWMBKSRMRNIQV-JTQLQIEISA-N 1 2 324.768 3.202 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595786291 400259457 /nfs/dbraw/zinc/25/94/57/400259457.db2.gz HMCMADRIJILGCG-CXAGYDPISA-N 1 2 320.389 3.082 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595786291 400259461 /nfs/dbraw/zinc/25/94/61/400259461.db2.gz HMCMADRIJILGCG-CXAGYDPISA-N 1 2 320.389 3.082 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1NCC1CC[NH+](CC(F)F)CC1 ZINC000596239029 400358008 /nfs/dbraw/zinc/35/80/08/400358008.db2.gz NPQKFGLWZKZUCU-UHFFFAOYSA-N 1 2 317.311 3.123 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000596240824 400358515 /nfs/dbraw/zinc/35/85/15/400358515.db2.gz ZRBJTCHOTPQGKB-UHFFFAOYSA-N 1 2 313.348 3.292 20 5 DGBDLO CCn1cc[nH+]c1CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596251362 400361356 /nfs/dbraw/zinc/36/13/56/400361356.db2.gz RFWXENFQHGEEDQ-UHFFFAOYSA-N 1 2 314.267 3.442 20 5 DGBDLO O=[N+]([O-])c1ccc(NCC2CC[NH+](CC(F)F)CC2)c(F)c1 ZINC000590567436 400397316 /nfs/dbraw/zinc/39/73/16/400397316.db2.gz DSKYDEBPZPQXTQ-UHFFFAOYSA-N 1 2 317.311 3.123 20 5 DGBDLO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000120375031 400445360 /nfs/dbraw/zinc/44/53/60/400445360.db2.gz QJSPSWQARWKSJH-HNNXBMFYSA-N 1 2 322.405 3.093 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])cc1OC ZINC000120470683 400446085 /nfs/dbraw/zinc/44/60/85/400446085.db2.gz BEIYPMSQKDOZDV-UHFFFAOYSA-N 1 2 322.386 3.306 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2ccsc2)c([N+](=O)[O-])cc1OC ZINC000120470683 400446087 /nfs/dbraw/zinc/44/60/87/400446087.db2.gz BEIYPMSQKDOZDV-UHFFFAOYSA-N 1 2 322.386 3.306 20 5 DGBDLO CCC(=O)c1ccc(N[C@@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000596542689 400439871 /nfs/dbraw/zinc/43/98/71/400439871.db2.gz OLLOTCSVGDDPIV-JTQLQIEISA-N 1 2 302.334 3.094 20 5 DGBDLO COc1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000602439294 400462546 /nfs/dbraw/zinc/46/25/46/400462546.db2.gz KLPRNQBZGVRTHT-UHFFFAOYSA-N 1 2 319.386 3.225 20 5 DGBDLO COc1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000602439294 400462549 /nfs/dbraw/zinc/46/25/49/400462549.db2.gz KLPRNQBZGVRTHT-UHFFFAOYSA-N 1 2 319.386 3.225 20 5 DGBDLO Cc1ccncc1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611939331 400466754 /nfs/dbraw/zinc/46/67/54/400466754.db2.gz IKUCWHBQIIAENE-LLVKDONJSA-N 1 2 312.329 3.290 20 5 DGBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC(C)(C)O1 ZINC000591140109 400491737 /nfs/dbraw/zinc/49/17/37/400491737.db2.gz WCDQQPXOGRCZBV-NSHDSACASA-N 1 2 301.346 3.147 20 5 DGBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000126385575 400492658 /nfs/dbraw/zinc/49/26/58/400492658.db2.gz JUHDJEIXWPJZNW-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000126385575 400492659 /nfs/dbraw/zinc/49/26/59/400492659.db2.gz JUHDJEIXWPJZNW-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO C[C@H](C[C@H]1CCOC1)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591149799 400493844 /nfs/dbraw/zinc/49/38/44/400493844.db2.gz AGMTYUYHMLTJQS-VXGBXAGGSA-N 1 2 301.346 3.370 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(CO)CCCCC3)c2c1 ZINC000591150113 400493878 /nfs/dbraw/zinc/49/38/78/400493878.db2.gz IJDHWLOOCUBTEP-UHFFFAOYSA-N 1 2 315.373 3.498 20 5 DGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccsc1 ZINC000128397601 400514731 /nfs/dbraw/zinc/51/47/31/400514731.db2.gz ZWVZTBBGDWFSBR-LLVKDONJSA-N 1 2 319.386 3.115 20 5 DGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccsc1 ZINC000128397601 400514733 /nfs/dbraw/zinc/51/47/33/400514733.db2.gz ZWVZTBBGDWFSBR-LLVKDONJSA-N 1 2 319.386 3.115 20 5 DGBDLO Cc1ncc([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000602957889 400615054 /nfs/dbraw/zinc/61/50/54/400615054.db2.gz VSDYTZPJSDJFBX-ZETCQYMHSA-N 1 2 313.329 3.489 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592189880 400620889 /nfs/dbraw/zinc/62/08/89/400620889.db2.gz YUQLSDVAPBNBPU-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592189880 400620893 /nfs/dbraw/zinc/62/08/93/400620893.db2.gz YUQLSDVAPBNBPU-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO CC[C@@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602922729 400607894 /nfs/dbraw/zinc/60/78/94/400607894.db2.gz COBMRIBFCIHPFH-OAHLLOKOSA-N 1 2 307.325 3.445 20 5 DGBDLO COc1ccc(OCC[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000054153140 400812947 /nfs/dbraw/zinc/81/29/47/400812947.db2.gz YFFJHKUCBOWGGA-UHFFFAOYSA-N 1 2 322.386 3.176 20 5 DGBDLO COc1ccc(OCC[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000054153140 400812954 /nfs/dbraw/zinc/81/29/54/400812954.db2.gz YFFJHKUCBOWGGA-UHFFFAOYSA-N 1 2 322.386 3.176 20 5 DGBDLO CCOC(=O)CC[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599063665 400944687 /nfs/dbraw/zinc/94/46/87/400944687.db2.gz HBGFRVPMMFAFBQ-NSHDSACASA-N 1 2 317.345 3.287 20 5 DGBDLO CCC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599065870 400946759 /nfs/dbraw/zinc/94/67/59/400946759.db2.gz SIHGJICXDRBWNO-ZDUSSCGKSA-N 1 2 301.346 3.148 20 5 DGBDLO Cc1ncc([C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000614497637 400909586 /nfs/dbraw/zinc/90/95/86/400909586.db2.gz BMRGRHQKUDMVRI-GFCCVEGCSA-N 1 2 300.362 3.195 20 5 DGBDLO Cc1ncc([C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000614497637 400909590 /nfs/dbraw/zinc/90/95/90/400909590.db2.gz BMRGRHQKUDMVRI-GFCCVEGCSA-N 1 2 300.362 3.195 20 5 DGBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000056195980 400914298 /nfs/dbraw/zinc/91/42/98/400914298.db2.gz JDEZTNKPFLRRNY-NXEZZACHSA-N 1 2 302.334 3.267 20 5 DGBDLO CC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000593949107 400925226 /nfs/dbraw/zinc/92/52/26/400925226.db2.gz VRCPLNHOHHPECI-UHFFFAOYSA-N 1 2 317.345 3.196 20 5 DGBDLO CC(=O)c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000593949107 400925232 /nfs/dbraw/zinc/92/52/32/400925232.db2.gz VRCPLNHOHHPECI-UHFFFAOYSA-N 1 2 317.345 3.196 20 5 DGBDLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000599166497 400984034 /nfs/dbraw/zinc/98/40/34/400984034.db2.gz YTLXZNPXZCJOKS-ZVXAKGHKSA-N 1 2 301.346 3.367 20 5 DGBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC2(CCC2)O1 ZINC000599092436 400958827 /nfs/dbraw/zinc/95/88/27/400958827.db2.gz GZUCOGVWASZIBS-GFCCVEGCSA-N 1 2 313.357 3.291 20 5 DGBDLO O=[N+]([O-])c1ccc(OCCNc2cc[nH+]c3ccncc23)cc1 ZINC000085686335 401173353 /nfs/dbraw/zinc/17/33/53/401173353.db2.gz NUGJQHHKWLEIHE-UHFFFAOYSA-N 1 2 310.313 3.029 20 5 DGBDLO Cc1[nH]c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH+]c1C ZINC000600112674 401182418 /nfs/dbraw/zinc/18/24/18/401182418.db2.gz QNOXHWQJZQJDBQ-UHFFFAOYSA-N 1 2 300.362 3.099 20 5 DGBDLO Cc1[nH+]c2ccccn2c1COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000358859085 286171344 /nfs/dbraw/zinc/17/13/44/286171344.db2.gz SLKBZCJCASMUHV-UHFFFAOYSA-N 1 2 312.329 3.142 20 5 DGBDLO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000359014630 286215465 /nfs/dbraw/zinc/21/54/65/286215465.db2.gz LTVMQMSQEAWMLS-ZDUSSCGKSA-N 1 2 323.356 3.026 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181648337 164919156 /nfs/dbraw/zinc/91/91/56/164919156.db2.gz KKUPPGUTIHRYBP-UHFFFAOYSA-N 1 2 323.255 3.152 20 5 DGBDLO Cc1c(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cccc1[N+](=O)[O-] ZINC000193863828 165333809 /nfs/dbraw/zinc/33/38/09/165333809.db2.gz HKCAORCSBVTRFH-CQSZACIVSA-N 1 2 300.362 3.006 20 5 DGBDLO Cc1c(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cccc1[N+](=O)[O-] ZINC000193863828 165333813 /nfs/dbraw/zinc/33/38/13/165333813.db2.gz HKCAORCSBVTRFH-CQSZACIVSA-N 1 2 300.362 3.006 20 5 DGBDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172020152 432190521 /nfs/dbraw/zinc/19/05/21/432190521.db2.gz ZXGCUELEBCGYNV-UHFFFAOYSA-N 1 2 308.769 3.004 20 5 DGBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172020152 432190525 /nfs/dbraw/zinc/19/05/25/432190525.db2.gz ZXGCUELEBCGYNV-UHFFFAOYSA-N 1 2 308.769 3.004 20 5 DGBDLO COc1cc(C[N@H+](C)[C@H](C)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000131081324 196138111 /nfs/dbraw/zinc/13/81/11/196138111.db2.gz RKBPAXJSNNWGDW-LLVKDONJSA-N 1 2 320.345 3.398 20 5 DGBDLO COc1cc(C[N@@H+](C)[C@H](C)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000131081324 196138113 /nfs/dbraw/zinc/13/81/13/196138113.db2.gz RKBPAXJSNNWGDW-LLVKDONJSA-N 1 2 320.345 3.398 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1OCc1c(C)[nH+]c2ccccn21 ZINC000150958324 432207401 /nfs/dbraw/zinc/20/74/01/432207401.db2.gz GLEKPKGEIOWLCN-UHFFFAOYSA-N 1 2 313.313 3.139 20 5 DGBDLO Cc1cc(NCCCn2cc[nH+]c2)c2cccc([N+](=O)[O-])c2n1 ZINC000302002037 230028456 /nfs/dbraw/zinc/02/84/56/230028456.db2.gz JJXVMLYAYIDTOG-UHFFFAOYSA-N 1 2 311.345 3.150 20 5 DGBDLO COc1cc(NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000302641218 230330015 /nfs/dbraw/zinc/33/00/15/230330015.db2.gz IHHLBOUHXPCNDE-UHFFFAOYSA-N 1 2 324.340 3.401 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000348241196 264371901 /nfs/dbraw/zinc/37/19/01/264371901.db2.gz QWISGUWBTUTKNF-MEBBXXQBSA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000348241196 264371903 /nfs/dbraw/zinc/37/19/03/264371903.db2.gz QWISGUWBTUTKNF-MEBBXXQBSA-N 1 2 310.781 3.248 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352441191 265050924 /nfs/dbraw/zinc/05/09/24/265050924.db2.gz UAEAJRBSAAWRHR-HOTGVXAUSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352441191 265050927 /nfs/dbraw/zinc/05/09/27/265050927.db2.gz UAEAJRBSAAWRHR-HOTGVXAUSA-N 1 2 320.364 3.267 20 5 DGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000352833657 265187149 /nfs/dbraw/zinc/18/71/49/265187149.db2.gz TWPDBSVWKCDVFF-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1ccc2c(c1)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000352833657 265187150 /nfs/dbraw/zinc/18/71/50/265187150.db2.gz TWPDBSVWKCDVFF-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO CCc1nnc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000353070796 265287955 /nfs/dbraw/zinc/28/79/55/265287955.db2.gz IJKCCSJEVBCFLW-UHFFFAOYSA-N 1 2 320.418 3.422 20 5 DGBDLO Cc1[nH+]c2ccccn2c1CN1CCc2c1cccc2[N+](=O)[O-] ZINC000353550085 265463480 /nfs/dbraw/zinc/46/34/80/265463480.db2.gz QFQKMCLCMGLMGM-UHFFFAOYSA-N 1 2 308.341 3.114 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355291257 266028364 /nfs/dbraw/zinc/02/83/64/266028364.db2.gz OKHGUJJTBRVXON-UHFFFAOYSA-N 1 2 324.340 3.420 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000355790640 266186554 /nfs/dbraw/zinc/18/65/54/266186554.db2.gz ILGSVNHRTIQVOH-UHFFFAOYSA-N 1 2 320.780 3.146 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000355790640 266186555 /nfs/dbraw/zinc/18/65/55/266186555.db2.gz ILGSVNHRTIQVOH-UHFFFAOYSA-N 1 2 320.780 3.146 20 5 DGBDLO Cc1ccc(Cc2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC000356154999 266301537 /nfs/dbraw/zinc/30/15/37/266301537.db2.gz VCSPXOIQUZDPMP-RMKNXTFCSA-N 1 2 322.324 3.442 20 5 DGBDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000369279049 271258587 /nfs/dbraw/zinc/25/85/87/271258587.db2.gz KQWMKZINZVSTAK-HNNXBMFYSA-N 1 2 316.361 3.056 20 5 DGBDLO Cc1nc([C@@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000369279049 271258589 /nfs/dbraw/zinc/25/85/89/271258589.db2.gz KQWMKZINZVSTAK-HNNXBMFYSA-N 1 2 316.361 3.056 20 5 DGBDLO COc1cc(C[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])cc1F ZINC000184232086 274094002 /nfs/dbraw/zinc/09/40/02/274094002.db2.gz AEFMYPQDEKYLPH-UHFFFAOYSA-N 1 2 322.361 3.362 20 5 DGBDLO COc1cc(C[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])cc1F ZINC000184232086 274094003 /nfs/dbraw/zinc/09/40/03/274094003.db2.gz AEFMYPQDEKYLPH-UHFFFAOYSA-N 1 2 322.361 3.362 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000016474295 431613847 /nfs/dbraw/zinc/61/38/47/431613847.db2.gz NCTYZYCGHVIQEB-UHFFFAOYSA-N 1 2 315.348 3.056 20 5 DGBDLO Cc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000029911278 431730348 /nfs/dbraw/zinc/73/03/48/431730348.db2.gz AZQQXQKFDJYDKU-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO CCOC(=O)[C@H](C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000191709053 432292769 /nfs/dbraw/zinc/29/27/69/432292769.db2.gz KMGDALCTKLGLTE-CFNZNRNTSA-N 1 2 318.373 3.024 20 5 DGBDLO CCOC(=O)[C@H](C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000191709053 432292773 /nfs/dbraw/zinc/29/27/73/432292773.db2.gz KMGDALCTKLGLTE-CFNZNRNTSA-N 1 2 318.373 3.024 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000175052083 432392421 /nfs/dbraw/zinc/39/24/21/432392421.db2.gz KSKKZXKSFWOKQW-CYBMUJFWSA-N 1 2 315.373 3.372 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000175052083 432392424 /nfs/dbraw/zinc/39/24/24/432392424.db2.gz KSKKZXKSFWOKQW-CYBMUJFWSA-N 1 2 315.373 3.372 20 5 DGBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271425151 432392693 /nfs/dbraw/zinc/39/26/93/432392693.db2.gz CKKMSRZCAJOKOW-MFKMUULPSA-N 1 2 303.366 3.077 20 5 DGBDLO COC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184732759 432427839 /nfs/dbraw/zinc/42/78/39/432427839.db2.gz XZDZTPKLRUNKSG-CYBMUJFWSA-N 1 2 308.309 3.113 20 5 DGBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(C)o1 ZINC000272351934 432487626 /nfs/dbraw/zinc/48/76/26/432487626.db2.gz VGGGEUBFIQTLCZ-AWEZNQCLSA-N 1 2 308.309 3.113 20 5 DGBDLO C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185688198 432523908 /nfs/dbraw/zinc/52/39/08/432523908.db2.gz DKYZCMNMGWLTQG-KSSFIOAISA-N 1 2 313.401 3.376 20 5 DGBDLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000178688013 432767150 /nfs/dbraw/zinc/76/71/50/432767150.db2.gz DJIRZTPMFKNUNP-GHMZBOCLSA-N 1 2 304.350 3.260 20 5 DGBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000276545615 432816822 /nfs/dbraw/zinc/81/68/22/432816822.db2.gz FOCODSQHAKNYPZ-GFCCVEGCSA-N 1 2 322.752 3.098 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332216546 432985312 /nfs/dbraw/zinc/98/53/12/432985312.db2.gz IRQMXCBFUCAGRV-XMHCIUCPSA-N 1 2 324.446 3.197 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332216546 432985315 /nfs/dbraw/zinc/98/53/15/432985315.db2.gz IRQMXCBFUCAGRV-XMHCIUCPSA-N 1 2 324.446 3.197 20 5 DGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1cc(C)[nH+]c(C)c1 ZINC000420651958 433243996 /nfs/dbraw/zinc/24/39/96/433243996.db2.gz LKGPEJJNYRPHRU-UHFFFAOYSA-N 1 2 301.346 3.365 20 5 DGBDLO CC[C@H](C)[C@@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413143541 433262319 /nfs/dbraw/zinc/26/23/19/433262319.db2.gz SEHGGOWRMQOJEY-ZBEGNZNMSA-N 1 2 303.362 3.352 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)c2cccnc21 ZINC000354774233 433265333 /nfs/dbraw/zinc/26/53/33/433265333.db2.gz UPCUFODUSMQWSX-UHFFFAOYSA-N 1 2 309.329 3.062 20 5 DGBDLO CO[C@](C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413315976 433271363 /nfs/dbraw/zinc/27/13/63/433271363.db2.gz WEYHFCCVQBSYIH-MRXNPFEDSA-N 1 2 301.346 3.370 20 5 DGBDLO CCCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447800981 433283900 /nfs/dbraw/zinc/28/39/00/433283900.db2.gz ATTDSTJMJDRATN-UHFFFAOYSA-N 1 2 307.394 3.029 20 5 DGBDLO Cc1cc[nH+]c(C)c1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000425588054 433311430 /nfs/dbraw/zinc/31/14/30/433311430.db2.gz PMLAWFJXTWUKIR-UHFFFAOYSA-N 1 2 315.329 3.014 20 5 DGBDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339089220 433354195 /nfs/dbraw/zinc/35/41/95/433354195.db2.gz NIOCEUFOJBNXDZ-YVEFUNNKSA-N 1 2 313.357 3.279 20 5 DGBDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339089220 433354204 /nfs/dbraw/zinc/35/42/04/433354204.db2.gz NIOCEUFOJBNXDZ-YVEFUNNKSA-N 1 2 313.357 3.279 20 5 DGBDLO CSCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301128393 433426297 /nfs/dbraw/zinc/42/62/97/433426297.db2.gz VYKFJSKOKVBGGJ-UHFFFAOYSA-N 1 2 304.375 3.135 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3sccc3Cl)nc2c1 ZINC000425994671 433392962 /nfs/dbraw/zinc/39/29/62/433392962.db2.gz HUTNZLYHBRKQSP-UHFFFAOYSA-N 1 2 322.777 3.476 20 5 DGBDLO CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448565439 433425019 /nfs/dbraw/zinc/42/50/19/433425019.db2.gz LXDRUQVDTIAOHH-UHFFFAOYSA-N 1 2 316.361 3.043 20 5 DGBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000355119749 433476427 /nfs/dbraw/zinc/47/64/27/433476427.db2.gz MCONOIGYXAXOJF-JTQLQIEISA-N 1 2 303.387 3.391 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000426502517 433518626 /nfs/dbraw/zinc/51/86/26/433518626.db2.gz CDGUEZUORMEUQI-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000426502517 433518631 /nfs/dbraw/zinc/51/86/31/433518631.db2.gz CDGUEZUORMEUQI-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO COc1cc(NCc2cn3c(cccc3C)[nH+]2)ccc1[N+](=O)[O-] ZINC000301391721 433533054 /nfs/dbraw/zinc/53/30/54/433533054.db2.gz HMCXZRFRCPRNCP-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO Cc1ccnc(NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000301308534 433502130 /nfs/dbraw/zinc/50/21/30/433502130.db2.gz WPOFCLXUURZVMM-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000351571287 433586389 /nfs/dbraw/zinc/58/63/89/433586389.db2.gz WMNMNGUWNOBGLA-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc2cccnc2s1)c1ccccc1[N+](=O)[O-] ZINC000342287997 433588378 /nfs/dbraw/zinc/58/83/78/433588378.db2.gz XZEBGTHAQUFGAG-SNVBAGLBSA-N 1 2 314.370 3.450 20 5 DGBDLO CCOc1cc(NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000301528531 433594436 /nfs/dbraw/zinc/59/44/36/433594436.db2.gz OHJZWFDLJYIRLC-UHFFFAOYSA-N 1 2 312.329 3.253 20 5 DGBDLO Cc1c([C@H](C)[NH2+]Cc2nnc(C3CC3)s2)cccc1[N+](=O)[O-] ZINC000414321108 433543177 /nfs/dbraw/zinc/54/31/77/433543177.db2.gz DIVXIGRWEMCWES-JTQLQIEISA-N 1 2 318.402 3.483 20 5 DGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000301624031 433646083 /nfs/dbraw/zinc/64/60/83/433646083.db2.gz FSRKVMXWYDRLOS-IAQYHMDHSA-N 1 2 304.325 3.018 20 5 DGBDLO COc1ccsc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356520286 433601423 /nfs/dbraw/zinc/60/14/23/433601423.db2.gz GGWLYLOJYOHLAD-UHFFFAOYSA-N 1 2 320.370 3.060 20 5 DGBDLO COc1ccsc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356520286 433601433 /nfs/dbraw/zinc/60/14/33/433601433.db2.gz GGWLYLOJYOHLAD-UHFFFAOYSA-N 1 2 320.370 3.060 20 5 DGBDLO Cc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1F ZINC000356537607 433609708 /nfs/dbraw/zinc/60/97/08/433609708.db2.gz ZRRLFJORDCUUPD-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1F ZINC000356537607 433609716 /nfs/dbraw/zinc/60/97/16/433609716.db2.gz ZRRLFJORDCUUPD-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO CC(=O)c1cc(NCc2cn3ccc(C)cc3[nH+]2)ccc1[N+](=O)[O-] ZINC000339969792 433876422 /nfs/dbraw/zinc/87/64/22/433876422.db2.gz TXEBGIFBLDFVQW-UHFFFAOYSA-N 1 2 324.340 3.366 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1NCc1cn2ccccc2[nH+]1 ZINC000352035417 433878133 /nfs/dbraw/zinc/87/81/33/433878133.db2.gz QNOBPJKNVWVTLQ-UHFFFAOYSA-N 1 2 312.329 3.253 20 5 DGBDLO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000377383351 293651537 /nfs/dbraw/zinc/65/15/37/293651537.db2.gz PZHALDBMLOQLLL-CLAHSXSESA-N 1 2 308.334 3.407 20 5 DGBDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000362925880 433910608 /nfs/dbraw/zinc/91/06/08/433910608.db2.gz WBOFONOCTQJTKZ-ZJUUUORDSA-N 1 2 321.356 3.216 20 5 DGBDLO Cc1cccn2cc(CNc3c4c(ccc3[N+](=O)[O-])NCC4)[nH+]c12 ZINC000302881978 433894293 /nfs/dbraw/zinc/89/42/93/433894293.db2.gz JKSAYFDUWXOMHR-UHFFFAOYSA-N 1 2 323.356 3.131 20 5 DGBDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c2cccc([N+](=O)[O-])c2n1 ZINC000357319074 433949852 /nfs/dbraw/zinc/94/98/52/433949852.db2.gz USWMQKDCIITJDZ-GFCCVEGCSA-N 1 2 311.345 3.149 20 5 DGBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000304292120 433996809 /nfs/dbraw/zinc/99/68/09/433996809.db2.gz DBCNMKKQBFOQSI-INIZCTEOSA-N 1 2 318.348 3.289 20 5 DGBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000304292120 433996818 /nfs/dbraw/zinc/99/68/18/433996818.db2.gz DBCNMKKQBFOQSI-INIZCTEOSA-N 1 2 318.348 3.289 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000286107665 434168461 /nfs/dbraw/zinc/16/84/61/434168461.db2.gz LJQZBIWCAGVSLK-CQSZACIVSA-N 1 2 316.361 3.054 20 5 DGBDLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000286107665 434168472 /nfs/dbraw/zinc/16/84/72/434168472.db2.gz LJQZBIWCAGVSLK-CQSZACIVSA-N 1 2 316.361 3.054 20 5 DGBDLO COc1cc([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)ccn1 ZINC000347569388 434268576 /nfs/dbraw/zinc/26/85/76/434268576.db2.gz WKLMYPBQSNLBER-SECBINFHSA-N 1 2 323.299 3.127 20 5 DGBDLO Cc1sccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000353567029 434232975 /nfs/dbraw/zinc/23/29/75/434232975.db2.gz RRSFDSOPDWUFPK-UHFFFAOYSA-N 1 2 304.371 3.359 20 5 DGBDLO Cc1sccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000353567029 434232985 /nfs/dbraw/zinc/23/29/85/434232985.db2.gz RRSFDSOPDWUFPK-UHFFFAOYSA-N 1 2 304.371 3.359 20 5 DGBDLO CCOc1cc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000450825816 434422460 /nfs/dbraw/zinc/42/24/60/434422460.db2.gz FMBFPSPEZIBWMX-CMPLNLGQSA-N 1 2 302.334 3.308 20 5 DGBDLO Cc1cc(N[C@H](C)c2ccccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000341000893 434478426 /nfs/dbraw/zinc/47/84/26/434478426.db2.gz VZQGAAISBLPMRK-GFCCVEGCSA-N 1 2 300.362 3.990 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451001836 434526187 /nfs/dbraw/zinc/52/61/87/434526187.db2.gz IRCKBTITPYEGPJ-CQSZACIVSA-N 1 2 313.357 3.075 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451001836 434526196 /nfs/dbraw/zinc/52/61/96/434526196.db2.gz IRCKBTITPYEGPJ-CQSZACIVSA-N 1 2 313.357 3.075 20 5 DGBDLO CCOC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000459606292 434630241 /nfs/dbraw/zinc/63/02/41/434630241.db2.gz MMBNMXYQDNJMPE-UHFFFAOYSA-N 1 2 302.330 3.076 20 5 DGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2Cc3cccc(F)c3C2)c1 ZINC000459721054 434675572 /nfs/dbraw/zinc/67/55/72/434675572.db2.gz AIHBRFWXIDVRFS-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2Cc3cccc(F)c3C2)c1 ZINC000459721054 434675581 /nfs/dbraw/zinc/67/55/81/434675581.db2.gz AIHBRFWXIDVRFS-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000371942324 434774228 /nfs/dbraw/zinc/77/42/28/434774228.db2.gz DTAWHIGNCUBZNW-MRXNPFEDSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000371942324 434774233 /nfs/dbraw/zinc/77/42/33/434774233.db2.gz DTAWHIGNCUBZNW-MRXNPFEDSA-N 1 2 318.352 3.113 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000530865802 435056164 /nfs/dbraw/zinc/05/61/64/435056164.db2.gz BQHTUXURZQGBPJ-UHFFFAOYSA-N 1 2 316.405 3.258 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000530865802 435056167 /nfs/dbraw/zinc/05/61/67/435056167.db2.gz BQHTUXURZQGBPJ-UHFFFAOYSA-N 1 2 316.405 3.258 20 5 DGBDLO CC(C)c1nnc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000579614180 435169332 /nfs/dbraw/zinc/16/93/32/435169332.db2.gz UQHPNDJBPRBHGC-GWCFXTLKSA-N 1 2 315.377 3.174 20 5 DGBDLO CCOC(=O)C[N@H+](CC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000535078527 435319000 /nfs/dbraw/zinc/31/90/00/435319000.db2.gz FEFCVOZBEUTKPS-UHFFFAOYSA-N 1 2 308.378 3.103 20 5 DGBDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000535078527 435319004 /nfs/dbraw/zinc/31/90/04/435319004.db2.gz FEFCVOZBEUTKPS-UHFFFAOYSA-N 1 2 308.378 3.103 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2nc(C)ncc2C1 ZINC000537601087 435451649 /nfs/dbraw/zinc/45/16/49/435451649.db2.gz LBRLPXKLFCKVKD-GFCCVEGCSA-N 1 2 312.373 3.121 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2nc(C)ncc2C1 ZINC000537601087 435451654 /nfs/dbraw/zinc/45/16/54/435451654.db2.gz LBRLPXKLFCKVKD-GFCCVEGCSA-N 1 2 312.373 3.121 20 5 DGBDLO CCn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000541070554 435637383 /nfs/dbraw/zinc/63/73/83/435637383.db2.gz JVVGPLZVMULWBQ-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO CCn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000541070554 435637389 /nfs/dbraw/zinc/63/73/89/435637389.db2.gz JVVGPLZVMULWBQ-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000296190741 303001535 /nfs/dbraw/zinc/00/15/35/303001535.db2.gz DPLCEAWOFKSTNE-ZDUSSCGKSA-N 1 2 304.325 3.055 20 5 DGBDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000544617247 314203245 /nfs/dbraw/zinc/20/32/45/314203245.db2.gz LOSXBOMWFCIQIW-UHFFFAOYSA-N 1 2 322.405 3.457 20 5 DGBDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000544617247 314203247 /nfs/dbraw/zinc/20/32/47/314203247.db2.gz LOSXBOMWFCIQIW-UHFFFAOYSA-N 1 2 322.405 3.457 20 5 DGBDLO Cc1cccn2cc(COc3cc(F)cc([N+](=O)[O-])c3)[nH+]c12 ZINC000559484135 314886123 /nfs/dbraw/zinc/88/61/23/314886123.db2.gz UQTVRFHUQAFGHP-UHFFFAOYSA-N 1 2 301.277 3.269 20 5 DGBDLO COC(=O)c1sccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180417044 323229355 /nfs/dbraw/zinc/22/93/55/323229355.db2.gz OHPSAUGTBMAANC-SNVBAGLBSA-N 1 2 320.370 3.294 20 5 DGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000184810926 323373808 /nfs/dbraw/zinc/37/38/08/323373808.db2.gz GBEGHIWAFKPMBW-CQSZACIVSA-N 1 2 304.346 3.228 20 5 DGBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc2ccccc2c2cccnc12 ZINC000171756531 534506888 /nfs/dbraw/zinc/50/68/88/534506888.db2.gz NYFFWRSZOUHLLJ-UHFFFAOYSA-N 1 2 316.364 3.084 20 5 DGBDLO CC(C)OC(=O)[C@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413168173 527854964 /nfs/dbraw/zinc/85/49/64/527854964.db2.gz MGYNDNMICNTONJ-LLVKDONJSA-N 1 2 317.345 3.143 20 5 DGBDLO CC(C)OCCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413158942 527938327 /nfs/dbraw/zinc/93/83/27/527938327.db2.gz WKDDCFMOCHJNHS-UHFFFAOYSA-N 1 2 303.362 3.394 20 5 DGBDLO CCC[C@]1(CO)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413306532 528522802 /nfs/dbraw/zinc/52/28/02/528522802.db2.gz YJMVFEJVRRZTJJ-KRWDZBQOSA-N 1 2 315.373 3.132 20 5 DGBDLO COc1c(C)c[nH+]c(COC(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000736790176 574806208 /nfs/dbraw/zinc/80/62/08/574806208.db2.gz OWDKZKBUCGDSRL-UHFFFAOYSA-N 1 2 322.342 3.034 20 5 DGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000748500910 575591235 /nfs/dbraw/zinc/59/12/35/575591235.db2.gz XUUGHOCJYQWPRU-UHFFFAOYSA-N 1 2 323.308 3.138 20 5 DGBDLO CN(CCCn1cc[nH+]c1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853448772 620695995 /nfs/dbraw/zinc/69/59/95/620695995.db2.gz BROFBCRSWZEYIN-UHFFFAOYSA-N 1 2 310.304 3.255 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C(F)(F)F)C1 ZINC000894892189 618489591 /nfs/dbraw/zinc/48/95/91/618489591.db2.gz YYIRNTZJVLAPOE-BJMVGYQFSA-N 1 2 300.280 3.492 20 5 DGBDLO COCCOc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000893278395 618494486 /nfs/dbraw/zinc/49/44/86/618494486.db2.gz DZQYLHWCJKNSDA-GFCCVEGCSA-N 1 2 320.345 3.064 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2c2ncc(Cl)cc2[N+](=O)[O-])[nH+]c1C ZINC000895191938 618571700 /nfs/dbraw/zinc/57/17/00/618571700.db2.gz CZECPBIDNMOJBG-LLVKDONJSA-N 1 2 321.768 3.325 20 5 DGBDLO CCn1c[nH+]c2c1CCN(c1c(C)cc([N+](=O)[O-])cc1Cl)C2 ZINC000896660098 618940186 /nfs/dbraw/zinc/94/01/86/618940186.db2.gz KHEBVISFFYJZJK-UHFFFAOYSA-N 1 2 320.780 3.336 20 5 DGBDLO CCn1c[nH+]c2c1CCN(c1ccc(C(F)F)cc1[N+](=O)[O-])C2 ZINC000896654874 618941671 /nfs/dbraw/zinc/94/16/71/618941671.db2.gz PPCWJYLJUDXPCU-UHFFFAOYSA-N 1 2 322.315 3.312 20 5 DGBDLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)s2)cc([N+](=O)[O-])c1 ZINC000903154745 619726379 /nfs/dbraw/zinc/72/63/79/619726379.db2.gz WFCGCMGHSWXRHI-BDAKNGLRSA-N 1 2 322.390 3.175 20 5 DGBDLO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc([N+](=O)[O-])c1 ZINC000903187158 619736796 /nfs/dbraw/zinc/73/67/96/619736796.db2.gz QYZNHRAJQUBQFM-ZIBATOQPSA-N 1 2 316.361 3.157 20 5 DGBDLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903186508 619736840 /nfs/dbraw/zinc/73/68/40/619736840.db2.gz LWZYZMNZMVYSQU-VXGBXAGGSA-N 1 2 318.377 3.232 20 5 DGBDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000905229518 619979356 /nfs/dbraw/zinc/97/93/56/619979356.db2.gz JQOBAFUDTNXWDA-LBPRGKRZSA-N 1 2 311.769 3.060 20 5 DGBDLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000905229518 619979357 /nfs/dbraw/zinc/97/93/57/619979357.db2.gz JQOBAFUDTNXWDA-LBPRGKRZSA-N 1 2 311.769 3.060 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nccc3c2CCCC3)cs1 ZINC000922465831 621041425 /nfs/dbraw/zinc/04/14/25/621041425.db2.gz FALWXMBWQWYZGZ-UHFFFAOYSA-N 1 2 303.387 3.220 20 5 DGBDLO C[C@@H]1[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000922557494 621056978 /nfs/dbraw/zinc/05/69/78/621056978.db2.gz PEUMMTAIZJMILW-WBMJQRKESA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@@H]1[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000922557494 621056981 /nfs/dbraw/zinc/05/69/81/621056981.db2.gz PEUMMTAIZJMILW-WBMJQRKESA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@H]1[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000922557492 621057203 /nfs/dbraw/zinc/05/72/03/621057203.db2.gz PEUMMTAIZJMILW-LRDDRELGSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@H]1[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000922557492 621057205 /nfs/dbraw/zinc/05/72/05/621057205.db2.gz PEUMMTAIZJMILW-LRDDRELGSA-N 1 2 315.373 3.037 20 5 DGBDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1 ZINC000858012237 621144798 /nfs/dbraw/zinc/14/47/98/621144798.db2.gz XZESXYDOTWHHOB-ZDUSSCGKSA-N 1 2 319.386 3.013 20 5 DGBDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1 ZINC000858012237 621144799 /nfs/dbraw/zinc/14/47/99/621144799.db2.gz XZESXYDOTWHHOB-ZDUSSCGKSA-N 1 2 319.386 3.013 20 5 DGBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000859837267 621335310 /nfs/dbraw/zinc/33/53/10/621335310.db2.gz FVHJSCKZNAIKDV-VIFPVBQESA-N 1 2 315.276 3.123 20 5 DGBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000859837267 621335314 /nfs/dbraw/zinc/33/53/14/621335314.db2.gz FVHJSCKZNAIKDV-VIFPVBQESA-N 1 2 315.276 3.123 20 5 DGBDLO Cc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000755251135 621560984 /nfs/dbraw/zinc/56/09/84/621560984.db2.gz RILJAARTCWBHBC-UHFFFAOYSA-N 1 2 323.308 3.308 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000761533328 622015110 /nfs/dbraw/zinc/01/51/10/622015110.db2.gz LIIIPSGTIZKLAL-ZETCQYMHSA-N 1 2 312.782 3.259 20 5 DGBDLO C[N@H+](CCOCC1CCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000761748621 622027936 /nfs/dbraw/zinc/02/79/36/622027936.db2.gz XYQOBKLIWVOYIO-UHFFFAOYSA-N 1 2 312.797 3.497 20 5 DGBDLO C[N@@H+](CCOCC1CCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000761748621 622027939 /nfs/dbraw/zinc/02/79/39/622027939.db2.gz XYQOBKLIWVOYIO-UHFFFAOYSA-N 1 2 312.797 3.497 20 5 DGBDLO COc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1O ZINC000872030265 622762974 /nfs/dbraw/zinc/76/29/74/622762974.db2.gz BXKNZNPMCVXNCN-JTQLQIEISA-N 1 2 320.320 3.299 20 5 DGBDLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043763 622770629 /nfs/dbraw/zinc/77/06/29/622770629.db2.gz LTUNXRJVRBBILW-RISCZKNCSA-N 1 2 304.321 3.118 20 5 DGBDLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872114114 622815842 /nfs/dbraw/zinc/81/58/42/622815842.db2.gz VRXUAWQKHKJNOF-ZETCQYMHSA-N 1 2 312.782 3.138 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000872129688 622823433 /nfs/dbraw/zinc/82/34/33/622823433.db2.gz AGAVIWHIGNEHRI-ZYHUDNBSSA-N 1 2 316.361 3.114 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000872129685 622823911 /nfs/dbraw/zinc/82/39/11/622823911.db2.gz AGAVIWHIGNEHRI-CMPLNLGQSA-N 1 2 316.361 3.114 20 5 DGBDLO Cc1ccc([C@H](C)NC(=O)c2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000776995400 623483188 /nfs/dbraw/zinc/48/31/88/623483188.db2.gz YYIZZTUMMLAXJJ-LBPRGKRZSA-N 1 2 324.340 3.042 20 5 DGBDLO C[C@@H]1CC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000779256381 623748327 /nfs/dbraw/zinc/74/83/27/623748327.db2.gz FGRGAJDOPGYXPS-DGCLKSJQSA-N 1 2 315.329 3.126 20 5 DGBDLO CN(C)c1cc(CSc2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000788503055 625200115 /nfs/dbraw/zinc/20/01/15/625200115.db2.gz QHEFGCGMWJZQBL-UHFFFAOYSA-N 1 2 307.350 3.487 20 5 DGBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1c(F)cncc1F ZINC000796626307 626067468 /nfs/dbraw/zinc/06/74/68/626067468.db2.gz ORCMOHMJYWZKMA-MRVPVSSYSA-N 1 2 311.263 3.258 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000886111445 627107112 /nfs/dbraw/zinc/10/71/12/627107112.db2.gz BKJSPRJCZOHRBB-UHFFFAOYSA-N 1 2 319.311 3.437 20 5 DGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])o1 ZINC000886138833 627111017 /nfs/dbraw/zinc/11/10/17/627111017.db2.gz VBHRHXQAHAQQOB-AWEZNQCLSA-N 1 2 317.345 3.066 20 5 DGBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])o1 ZINC000886138833 627111019 /nfs/dbraw/zinc/11/10/19/627111019.db2.gz VBHRHXQAHAQQOB-AWEZNQCLSA-N 1 2 317.345 3.066 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000886193778 627119310 /nfs/dbraw/zinc/11/93/10/627119310.db2.gz CAVBINSUEMWLGQ-UHFFFAOYSA-N 1 2 303.284 3.154 20 5 DGBDLO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000886209152 627121823 /nfs/dbraw/zinc/12/18/23/627121823.db2.gz FXVFDNKEPLHENV-AWEZNQCLSA-N 1 2 321.764 3.121 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000886308720 627134658 /nfs/dbraw/zinc/13/46/58/627134658.db2.gz JWUWCYRPHOLVFT-QGZVFWFLSA-N 1 2 315.348 3.451 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000886308720 627134661 /nfs/dbraw/zinc/13/46/61/627134661.db2.gz JWUWCYRPHOLVFT-QGZVFWFLSA-N 1 2 315.348 3.451 20 5 DGBDLO CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812864306 627431454 /nfs/dbraw/zinc/43/14/54/627431454.db2.gz DBRLEENEPOYUDQ-LLVKDONJSA-N 1 2 319.188 3.247 20 5 DGBDLO CC1(C)[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812864306 627431455 /nfs/dbraw/zinc/43/14/55/627431455.db2.gz DBRLEENEPOYUDQ-LLVKDONJSA-N 1 2 319.188 3.247 20 5 DGBDLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000926890355 627972540 /nfs/dbraw/zinc/97/25/40/627972540.db2.gz CMVGLOZZHZALNF-VXGBXAGGSA-N 1 2 303.366 3.179 20 5 DGBDLO Cc1cc(C)c(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000823446583 628563484 /nfs/dbraw/zinc/56/34/84/628563484.db2.gz JJUZBASKXDJRTR-UHFFFAOYSA-N 1 2 313.357 3.153 20 5 DGBDLO COCC[N@H+](CCF)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000827053681 628917011 /nfs/dbraw/zinc/91/70/11/628917011.db2.gz FIMWEARAXRIIJR-UHFFFAOYSA-N 1 2 322.336 3.273 20 5 DGBDLO COCC[N@@H+](CCF)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000827053681 628917013 /nfs/dbraw/zinc/91/70/13/628917013.db2.gz FIMWEARAXRIIJR-UHFFFAOYSA-N 1 2 322.336 3.273 20 5 DGBDLO C[C@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1Cl)n1cc[nH+]c1 ZINC000844468715 630732852 /nfs/dbraw/zinc/73/28/52/630732852.db2.gz TUAFXLAOZVKZLG-SNVBAGLBSA-N 1 2 323.736 3.139 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCC(F)(F)CC3)c2)cc1 ZINC000794697625 661099681 /nfs/dbraw/zinc/09/96/81/661099681.db2.gz ZGTBQVBTCCNOJN-UHFFFAOYSA-N 1 2 322.315 3.147 20 5 DGBDLO CCCOC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172761339 659355223 /nfs/dbraw/zinc/35/52/23/659355223.db2.gz XFTMIFZTCFKQSN-ZDUSSCGKSA-N 1 2 308.378 3.147 20 5 DGBDLO CCCOC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172761339 659355229 /nfs/dbraw/zinc/35/52/29/659355229.db2.gz XFTMIFZTCFKQSN-ZDUSSCGKSA-N 1 2 308.378 3.147 20 5 DGBDLO CCn1c[nH+]c2c1CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000933260540 661626476 /nfs/dbraw/zinc/62/64/76/661626476.db2.gz VVORLDROAQKTKK-UHFFFAOYSA-N 1 2 320.780 3.023 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2Cl)[nH+]c1C ZINC000895194254 685308946 /nfs/dbraw/zinc/30/89/46/685308946.db2.gz YZFRKIJNPZEZHP-LBPRGKRZSA-N 1 2 321.768 3.325 20 5 DGBDLO Cc1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001597956023 1192756341 /nfs/dbraw/zinc/75/63/41/1192756341.db2.gz KDXHLBVMCNIJMT-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO Cc1ccc2nc(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC001200845354 1180963636 /nfs/dbraw/zinc/96/36/36/1180963636.db2.gz VUJADGRTMRBBHF-UHFFFAOYSA-N 1 2 310.357 3.378 20 5 DGBDLO O=[N+]([O-])c1ccc(CNc2nc3ccccc3n3c[nH+]cc23)cc1 ZINC001458123793 1182498652 /nfs/dbraw/zinc/49/86/52/1182498652.db2.gz RYEUSZDLBHQBOX-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO C[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC001458407446 1182522123 /nfs/dbraw/zinc/52/21/23/1182522123.db2.gz QPJALANAKXCRFG-DTORHVGOSA-N 1 2 318.204 3.430 20 5 DGBDLO C[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC001458407446 1182522127 /nfs/dbraw/zinc/52/21/27/1182522127.db2.gz QPJALANAKXCRFG-DTORHVGOSA-N 1 2 318.204 3.430 20 5 DGBDLO CNc1cc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc[nH+]1 ZINC001458624526 1182545023 /nfs/dbraw/zinc/54/50/23/1182545023.db2.gz WYBZTGPXNPEVDB-UHFFFAOYSA-N 1 2 309.329 3.192 20 5 DGBDLO O=[N+]([O-])c1cccc2c1ccnc2NCc1[nH]c2c([nH+]1)CCCC2 ZINC001458644770 1182546345 /nfs/dbraw/zinc/54/63/45/1182546345.db2.gz SLKHFWZCQSDYJF-UHFFFAOYSA-N 1 2 323.356 3.357 20 5 DGBDLO COc1cccc2[nH]c(NCc3ccc(C)c([N+](=O)[O-])c3)[nH+]c21 ZINC001461729761 1182848278 /nfs/dbraw/zinc/84/82/78/1182848278.db2.gz QUVJOYHMZAMZIP-UHFFFAOYSA-N 1 2 312.329 3.400 20 5 DGBDLO Cc1ncsc1CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001473202747 1183729234 /nfs/dbraw/zinc/72/92/34/1183729234.db2.gz XBEUBIRBCZMNBH-UHFFFAOYSA-N 1 2 303.387 3.308 20 5 DGBDLO Cc1ncsc1CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001473202747 1183729235 /nfs/dbraw/zinc/72/92/35/1183729235.db2.gz XBEUBIRBCZMNBH-UHFFFAOYSA-N 1 2 303.387 3.308 20 5 DGBDLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001473795394 1183804952 /nfs/dbraw/zinc/80/49/52/1183804952.db2.gz BCZVFOCJZABSDO-SNVBAGLBSA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001473795394 1183804956 /nfs/dbraw/zinc/80/49/56/1183804956.db2.gz BCZVFOCJZABSDO-SNVBAGLBSA-N 1 2 320.780 3.166 20 5 DGBDLO O=[N+]([O-])c1cnc(Oc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC001612007648 1193444867 /nfs/dbraw/zinc/44/48/67/1193444867.db2.gz ZHRMFVNSNHTWRV-UHFFFAOYSA-N 1 2 300.249 3.107 20 5 DGBDLO CN(C)c1ccc(Nc2ncc([N+](=O)[O-])c3ccccc32)c[nH+]1 ZINC001559061740 1189166903 /nfs/dbraw/zinc/16/69/03/1189166903.db2.gz WLRHXWCPECRZRW-UHFFFAOYSA-N 1 2 309.329 3.348 20 5 DGBDLO CCNc1nc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC001560119002 1189280559 /nfs/dbraw/zinc/28/05/59/1189280559.db2.gz KOTHSGAFBHPNKR-JTQLQIEISA-N 1 2 306.391 3.334 20 5 DGBDLO CC[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001623189063 1193921218 /nfs/dbraw/zinc/92/12/18/1193921218.db2.gz CWOGNBIWUTURBN-CQSZACIVSA-N 1 2 324.340 3.352 20 5 DGBDLO Cn1c[nH+]c2cc(Nc3nc4c(cc3[N+](=O)[O-])CCCC4)ccc21 ZINC001642334341 1194902712 /nfs/dbraw/zinc/90/27/12/1194902712.db2.gz CJOONTZVCWKECN-UHFFFAOYSA-N 1 2 323.356 3.499 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])[nH+]c1C ZINC001644481020 1195112084 /nfs/dbraw/zinc/11/20/84/1195112084.db2.gz UHNQRTCMKHNKEE-HNNXBMFYSA-N 1 2 318.352 3.411 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2Cc2csc([N+](=O)[O-])c2)[nH+]c1C ZINC001644480718 1195112577 /nfs/dbraw/zinc/11/25/77/1195112577.db2.gz RXGSRXVQXJVPQD-LBPRGKRZSA-N 1 2 306.391 3.333 20 5 DGBDLO CCCCO[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC001653554648 1195733689 /nfs/dbraw/zinc/73/36/89/1195733689.db2.gz GULMBIGNZRTQQZ-CVEARBPZSA-N 1 2 322.405 3.374 20 5 DGBDLO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001655589913 1195936403 /nfs/dbraw/zinc/93/64/03/1195936403.db2.gz OITOEZNXHQUELE-JTQLQIEISA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001655589913 1195936405 /nfs/dbraw/zinc/93/64/05/1195936405.db2.gz OITOEZNXHQUELE-JTQLQIEISA-N 1 2 320.780 3.166 20 5 DGBDLO Cc1cccn2c([C@H](C)Nc3ncc([N+](=O)[O-])cc3F)c[nH+]c12 ZINC001160683349 1088917808 /nfs/dbraw/zinc/91/78/08/1088917808.db2.gz MIWMGMJCTANKKV-JTQLQIEISA-N 1 2 315.308 3.258 20 5 DGBDLO CC(C)Oc1nc(NCc2c[nH+]cn2C(C)C)ccc1[N+](=O)[O-] ZINC001161569948 1089290768 /nfs/dbraw/zinc/29/07/68/1089290768.db2.gz VBGMRNVMSPVWPH-UHFFFAOYSA-N 1 2 319.365 3.167 20 5 DGBDLO O=[N+]([O-])c1ccccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001206164136 1091516189 /nfs/dbraw/zinc/51/61/89/1091516189.db2.gz DWNFFAPBUDUGAH-UHFFFAOYSA-N 1 2 313.357 3.171 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2c(F)cncc2F)cc1[N+](=O)[O-] ZINC001119777213 1094289413 /nfs/dbraw/zinc/28/94/13/1094289413.db2.gz PNMOZFZOBXQJSD-JTQLQIEISA-N 1 2 307.300 3.427 20 5 DGBDLO O=[N+]([O-])c1c(O[C@@H]2CC[NH2+]CC2(F)F)ccc2ccccc21 ZINC001218009088 1094557780 /nfs/dbraw/zinc/55/77/80/1094557780.db2.gz FFGYBUZDKKYBBH-CYBMUJFWSA-N 1 2 308.284 3.124 20 5 DGBDLO COC(=O)[C@@H]1C[C@H](Oc2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001218179293 1094644689 /nfs/dbraw/zinc/64/46/89/1094644689.db2.gz YBNRSIAFPZTEPI-YJBOKZPZSA-N 1 2 321.376 3.275 20 5 DGBDLO Cn1c[nH+]cc1CO[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001222600362 1095686206 /nfs/dbraw/zinc/68/62/06/1095686206.db2.gz NKKOAJBMYUUTLL-GFCCVEGCSA-N 1 2 315.251 3.149 20 5 DGBDLO CC(C)[NH+]1CC(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225955956 1096573447 /nfs/dbraw/zinc/57/34/47/1096573447.db2.gz HZCLCXPAYVRPLQ-UHFFFAOYSA-N 1 2 304.268 3.085 20 5 DGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001173220598 1097371773 /nfs/dbraw/zinc/37/17/73/1097371773.db2.gz BCDVVKNAUKLWMT-MFKMUULPSA-N 1 2 302.296 3.205 20 5 DGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001173220598 1097371777 /nfs/dbraw/zinc/37/17/77/1097371777.db2.gz BCDVVKNAUKLWMT-MFKMUULPSA-N 1 2 302.296 3.205 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1=O ZINC001232217854 1097970408 /nfs/dbraw/zinc/97/04/08/1097970408.db2.gz AFLVICMZQQHOGM-CYBMUJFWSA-N 1 2 305.381 3.194 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1=O ZINC001232217854 1097970413 /nfs/dbraw/zinc/97/04/13/1097970413.db2.gz AFLVICMZQQHOGM-CYBMUJFWSA-N 1 2 305.381 3.194 20 5 DGBDLO O=C(CCn1cc[nH+]c1)Nc1cc2cccnc2c2ncccc12 ZINC001176878330 1098446405 /nfs/dbraw/zinc/44/64/05/1098446405.db2.gz LOBMUSBMSVMCEE-UHFFFAOYSA-N 1 2 317.352 3.008 20 5 DGBDLO CCNc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC001192671862 1100648879 /nfs/dbraw/zinc/64/88/79/1100648879.db2.gz BYMWMUOSAJYEGE-JTQLQIEISA-N 1 2 306.391 3.334 20 5 DGBDLO CN(CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001326783577 1103441619 /nfs/dbraw/zinc/44/16/19/1103441619.db2.gz IDIHHMNWCBMLRZ-UHFFFAOYSA-N 1 2 311.385 3.437 20 5 DGBDLO CN(CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001326783577 1103441624 /nfs/dbraw/zinc/44/16/24/1103441624.db2.gz IDIHHMNWCBMLRZ-UHFFFAOYSA-N 1 2 311.385 3.437 20 5 DGBDLO [NH3+][C@H](CO)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247493066 1104912352 /nfs/dbraw/zinc/91/23/52/1104912352.db2.gz POMWKXUWMWMSBJ-MRXNPFEDSA-N 1 2 305.337 3.035 20 5 DGBDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc([N+](=O)[O-])cc1Cl ZINC001248603987 1105134894 /nfs/dbraw/zinc/13/48/94/1105134894.db2.gz KBEMFXYMWPEKLE-UHFFFAOYSA-N 1 2 302.721 3.478 20 5 DGBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001254564744 1106104765 /nfs/dbraw/zinc/10/47/65/1106104765.db2.gz MTPRINRAZJJKDZ-OLZOCXBDSA-N 1 2 322.405 3.188 20 5 DGBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001254564744 1106104769 /nfs/dbraw/zinc/10/47/69/1106104769.db2.gz MTPRINRAZJJKDZ-OLZOCXBDSA-N 1 2 322.405 3.188 20 5 DGBDLO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H](C)n2cc[nH+]c2)n1 ZINC001320497811 1107029281 /nfs/dbraw/zinc/02/92/81/1107029281.db2.gz PEEXOHKNYJNQFW-LLVKDONJSA-N 1 2 313.317 3.067 20 5 DGBDLO Cc1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000092728936 185336749 /nfs/dbraw/zinc/33/67/49/185336749.db2.gz PZLGKVHISPXWLU-CQSZACIVSA-N 1 2 300.362 3.354 20 5 DGBDLO CCc1nc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000430214706 529746810 /nfs/dbraw/zinc/74/68/10/529746810.db2.gz BDWDGQKXYURCAR-JTQLQIEISA-N 1 2 321.402 3.473 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000181822118 199357921 /nfs/dbraw/zinc/35/79/21/199357921.db2.gz TXLNBFNVBWUVGH-JTQLQIEISA-N 1 2 302.334 3.014 20 5 DGBDLO CC(C)Oc1cc[nH+]cc1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000287124638 219329858 /nfs/dbraw/zinc/32/98/58/219329858.db2.gz YHBNCJSYVDZKOC-UHFFFAOYSA-N 1 2 316.313 3.134 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000067054400 432025976 /nfs/dbraw/zinc/02/59/76/432025976.db2.gz ZWDPTVZLLYKONB-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000174476984 198339382 /nfs/dbraw/zinc/33/93/82/198339382.db2.gz ARAPJXUFMKDKIS-LBPRGKRZSA-N 1 2 310.375 3.289 20 5 DGBDLO CCCn1nc(C)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000179314913 432053835 /nfs/dbraw/zinc/05/38/35/432053835.db2.gz QKLDDDNDBJFGAA-UHFFFAOYSA-N 1 2 316.405 3.450 20 5 DGBDLO CCCn1nc(C)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000179314913 432053836 /nfs/dbraw/zinc/05/38/36/432053836.db2.gz QKLDDDNDBJFGAA-UHFFFAOYSA-N 1 2 316.405 3.450 20 5 DGBDLO COc1cc[nH+]cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133848659 432070410 /nfs/dbraw/zinc/07/04/10/432070410.db2.gz RWSBUNDTGCTQKN-UHFFFAOYSA-N 1 2 322.708 3.296 20 5 DGBDLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271841378 209259693 /nfs/dbraw/zinc/25/96/93/209259693.db2.gz ZGMKBQNSPJQJQU-NSHDSACASA-N 1 2 318.329 3.134 20 5 DGBDLO CCOc1cc(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000180981485 432109358 /nfs/dbraw/zinc/10/93/58/432109358.db2.gz JOAOCOFFOYOBJK-UHFFFAOYSA-N 1 2 316.361 3.303 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000107286473 284053357 /nfs/dbraw/zinc/05/33/57/284053357.db2.gz KCXLIEOVOUGOJG-HWKANZROSA-N 1 2 301.277 3.089 20 5 DGBDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000121488532 284198398 /nfs/dbraw/zinc/19/83/98/284198398.db2.gz IAYNYHVOLVAHRE-SFHVURJKSA-N 1 2 312.369 3.342 20 5 DGBDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000121488532 284198401 /nfs/dbraw/zinc/19/84/01/284198401.db2.gz IAYNYHVOLVAHRE-SFHVURJKSA-N 1 2 312.369 3.342 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000494795461 246192953 /nfs/dbraw/zinc/19/29/53/246192953.db2.gz PORLXWPROQWXDP-AWEZNQCLSA-N 1 2 324.739 3.211 20 5 DGBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cs1 ZINC000267640039 206190833 /nfs/dbraw/zinc/19/08/33/206190833.db2.gz QLTCWOWKZCWAQF-QMMMGPOBSA-N 1 2 313.404 3.110 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000181816181 432144644 /nfs/dbraw/zinc/14/46/44/432144644.db2.gz YKFJNMOOERSJEC-LLVKDONJSA-N 1 2 304.350 3.260 20 5 DGBDLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285137746 218304942 /nfs/dbraw/zinc/30/49/42/218304942.db2.gz LRXGOYJCZGKAKZ-LLVKDONJSA-N 1 2 300.362 3.416 20 5 DGBDLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000285377313 218404305 /nfs/dbraw/zinc/40/43/05/218404305.db2.gz MYEOIUCIKHICSO-AWEZNQCLSA-N 1 2 316.361 3.054 20 5 DGBDLO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000285377313 218404306 /nfs/dbraw/zinc/40/43/06/218404306.db2.gz MYEOIUCIKHICSO-AWEZNQCLSA-N 1 2 316.361 3.054 20 5 DGBDLO CCCN(CCC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060658117 184153787 /nfs/dbraw/zinc/15/37/87/184153787.db2.gz HHKTWTNJCOTVCT-UHFFFAOYSA-N 1 2 316.361 3.043 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000338665825 253329873 /nfs/dbraw/zinc/32/98/73/253329873.db2.gz LXXCUBMBIRNBBI-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000339034772 253393558 /nfs/dbraw/zinc/39/35/58/253393558.db2.gz OQSHRAOTRMAISR-UHFFFAOYSA-N 1 2 302.305 3.218 20 5 DGBDLO CCc1nc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C)[nH+]1 ZINC000342781100 254048439 /nfs/dbraw/zinc/04/84/39/254048439.db2.gz MJHXXMSKPKGURU-UHFFFAOYSA-N 1 2 312.373 3.425 20 5 DGBDLO C[N@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1[N+](=O)[O-] ZINC000342795601 254051946 /nfs/dbraw/zinc/05/19/46/254051946.db2.gz XPHBXIQASXFOHV-UHFFFAOYSA-N 1 2 314.389 3.314 20 5 DGBDLO C[N@@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1[N+](=O)[O-] ZINC000342795601 254051948 /nfs/dbraw/zinc/05/19/48/254051948.db2.gz XPHBXIQASXFOHV-UHFFFAOYSA-N 1 2 314.389 3.314 20 5 DGBDLO CCC[C@H]([NH2+][C@H](C)c1nnc(CC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000271559706 209011310 /nfs/dbraw/zinc/01/13/10/209011310.db2.gz UDGMLQDAIIRAHB-RISCZKNCSA-N 1 2 317.393 3.467 20 5 DGBDLO Cc1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000152346452 196811270 /nfs/dbraw/zinc/81/12/70/196811270.db2.gz ZRDXYCTZXCQRBK-LLVKDONJSA-N 1 2 314.345 3.489 20 5 DGBDLO COCc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000289564117 221069178 /nfs/dbraw/zinc/06/91/78/221069178.db2.gz ANLPLPFPRYOLFH-NSHDSACASA-N 1 2 321.402 3.357 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(F)c1 ZINC000290015138 221380242 /nfs/dbraw/zinc/38/02/42/221380242.db2.gz UTVSUTCGNOABCU-CYBMUJFWSA-N 1 2 324.743 3.031 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(F)c1 ZINC000290015138 221380244 /nfs/dbraw/zinc/38/02/44/221380244.db2.gz UTVSUTCGNOABCU-CYBMUJFWSA-N 1 2 324.743 3.031 20 5 DGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287236183 131270318 /nfs/dbraw/zinc/27/03/18/131270318.db2.gz GEGYRJPTGOYMLD-MRXNPFEDSA-N 1 2 318.760 3.297 20 5 DGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287236183 131270320 /nfs/dbraw/zinc/27/03/20/131270320.db2.gz GEGYRJPTGOYMLD-MRXNPFEDSA-N 1 2 318.760 3.297 20 5 DGBDLO C[N@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006996183 400096049 /nfs/dbraw/zinc/09/60/49/400096049.db2.gz MZGUNEQPXFTYKK-UHFFFAOYSA-N 1 2 302.359 3.165 20 5 DGBDLO C[N@@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006996183 400096054 /nfs/dbraw/zinc/09/60/54/400096054.db2.gz MZGUNEQPXFTYKK-UHFFFAOYSA-N 1 2 302.359 3.165 20 5 DGBDLO Cn1ccnc1[C@H]([NH2+]CC1=CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595097126 400105271 /nfs/dbraw/zinc/10/52/71/400105271.db2.gz PSSMUENDCGZZTI-MRXNPFEDSA-N 1 2 312.373 3.118 20 5 DGBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609560808 400175594 /nfs/dbraw/zinc/17/55/94/400175594.db2.gz CEJDKLANBQBPTG-ZDUSSCGKSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1cc(N2CCC[C@H]3C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000588066148 400184272 /nfs/dbraw/zinc/18/42/72/400184272.db2.gz IICQBWOFCKGKIG-DZGCQCFKSA-N 1 2 310.357 3.349 20 5 DGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000595297720 400122014 /nfs/dbraw/zinc/12/20/14/400122014.db2.gz NCSVVNJZTJYHKK-CYBMUJFWSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000595297720 400122019 /nfs/dbraw/zinc/12/20/19/400122019.db2.gz NCSVVNJZTJYHKK-CYBMUJFWSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595312448 400125771 /nfs/dbraw/zinc/12/57/71/400125771.db2.gz MRZQIXFZMJRDIW-VIFPVBQESA-N 1 2 310.379 3.158 20 5 DGBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595312448 400125774 /nfs/dbraw/zinc/12/57/74/400125774.db2.gz MRZQIXFZMJRDIW-VIFPVBQESA-N 1 2 310.379 3.158 20 5 DGBDLO Cc1noc(C[NH2+]C2(c3ccc(F)cc3)CCC2)c1[N+](=O)[O-] ZINC000595364603 400135562 /nfs/dbraw/zinc/13/55/62/400135562.db2.gz HVTJHQZZYCDVCA-UHFFFAOYSA-N 1 2 305.309 3.199 20 5 DGBDLO Cc1ccncc1[C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586769136 400152174 /nfs/dbraw/zinc/15/21/74/400152174.db2.gz MYPAAYFAXBHKEE-SNVBAGLBSA-N 1 2 307.300 3.427 20 5 DGBDLO COc1cc(F)cc(OC)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000601100759 400232373 /nfs/dbraw/zinc/23/23/73/400232373.db2.gz GRYDXOHPVUVGTH-UHFFFAOYSA-N 1 2 320.320 3.041 20 5 DGBDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093315227 400237603 /nfs/dbraw/zinc/23/76/03/400237603.db2.gz XDBLPGARYQBJJO-LLVKDONJSA-N 1 2 302.330 3.199 20 5 DGBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093315227 400237607 /nfs/dbraw/zinc/23/76/07/400237607.db2.gz XDBLPGARYQBJJO-LLVKDONJSA-N 1 2 302.330 3.199 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3cccc(C)c3[N+](=O)[O-])ccc2n1C ZINC000610310300 400240530 /nfs/dbraw/zinc/24/05/30/400240530.db2.gz KBFJICRAQYLQGN-UHFFFAOYSA-N 1 2 324.340 3.351 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](CCF)C2)c(F)c1 ZINC000595757066 400250541 /nfs/dbraw/zinc/25/05/41/400250541.db2.gz YMVNCLABUSZURB-SNVBAGLBSA-N 1 2 302.296 3.445 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](CCF)C2)c(F)c1 ZINC000595757066 400250548 /nfs/dbraw/zinc/25/05/48/400250548.db2.gz YMVNCLABUSZURB-SNVBAGLBSA-N 1 2 302.296 3.445 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1NCCc1cn2ccccc2[nH+]1 ZINC000023618060 400211820 /nfs/dbraw/zinc/21/18/20/400211820.db2.gz YRRUMJMGOCREBN-UHFFFAOYSA-N 1 2 300.293 3.036 20 5 DGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595812661 400266923 /nfs/dbraw/zinc/26/69/23/400266923.db2.gz YICNEAHVNILQBA-MWLCHTKSSA-N 1 2 311.179 3.199 20 5 DGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595812661 400266924 /nfs/dbraw/zinc/26/69/24/400266924.db2.gz YICNEAHVNILQBA-MWLCHTKSSA-N 1 2 311.179 3.199 20 5 DGBDLO COc1cccc(C2([NH2+]Cc3onc(C)c3[N+](=O)[O-])CCC2)c1 ZINC000595855775 400282551 /nfs/dbraw/zinc/28/25/51/400282551.db2.gz ZSUIFCBSLFEHAP-UHFFFAOYSA-N 1 2 317.345 3.069 20 5 DGBDLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000595866496 400283506 /nfs/dbraw/zinc/28/35/06/400283506.db2.gz HZYALEILNXLSPB-MEBBXXQBSA-N 1 2 322.311 3.257 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595918295 400294520 /nfs/dbraw/zinc/29/45/20/400294520.db2.gz WJTHDSSQSPKWRJ-QMTHXVAHSA-N 1 2 300.305 3.012 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595918295 400294523 /nfs/dbraw/zinc/29/45/23/400294523.db2.gz WJTHDSSQSPKWRJ-QMTHXVAHSA-N 1 2 300.305 3.012 20 5 DGBDLO Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])s1 ZINC000596077488 400310858 /nfs/dbraw/zinc/31/08/58/400310858.db2.gz JDPTVNNEZBQAMP-UHFFFAOYSA-N 1 2 318.402 3.441 20 5 DGBDLO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093868491 400260790 /nfs/dbraw/zinc/26/07/90/400260790.db2.gz HHCGXWWYPAVVJD-GXTWGEPZSA-N 1 2 310.419 3.406 20 5 DGBDLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093868491 400260792 /nfs/dbraw/zinc/26/07/92/400260792.db2.gz HHCGXWWYPAVVJD-GXTWGEPZSA-N 1 2 310.419 3.406 20 5 DGBDLO COC(=O)[C@H]1CCCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611606687 400428004 /nfs/dbraw/zinc/42/80/04/400428004.db2.gz LXTSCOKQAIFRHL-DZFYGRHCSA-N 1 2 318.373 3.026 20 5 DGBDLO COC(=O)[C@H]1CCCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611606687 400428010 /nfs/dbraw/zinc/42/80/10/400428010.db2.gz LXTSCOKQAIFRHL-DZFYGRHCSA-N 1 2 318.373 3.026 20 5 DGBDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000596598103 400454268 /nfs/dbraw/zinc/45/42/68/400454268.db2.gz BGAWEOGJUCZPCO-UHFFFAOYSA-N 1 2 318.352 3.042 20 5 DGBDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000596598103 400454271 /nfs/dbraw/zinc/45/42/71/400454271.db2.gz BGAWEOGJUCZPCO-UHFFFAOYSA-N 1 2 318.352 3.042 20 5 DGBDLO Nc1c(F)cccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602440090 400462825 /nfs/dbraw/zinc/46/28/25/400462825.db2.gz NTHPBJRFRLKTPD-UHFFFAOYSA-N 1 2 315.348 3.481 20 5 DGBDLO Nc1c(F)cccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602440090 400462830 /nfs/dbraw/zinc/46/28/30/400462830.db2.gz NTHPBJRFRLKTPD-UHFFFAOYSA-N 1 2 315.348 3.481 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000597254388 400600483 /nfs/dbraw/zinc/60/04/83/400600483.db2.gz BXGPSHHKSOMVIZ-NHYWBVRUSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000597254388 400600487 /nfs/dbraw/zinc/60/04/87/400600487.db2.gz BXGPSHHKSOMVIZ-NHYWBVRUSA-N 1 2 314.332 3.148 20 5 DGBDLO CN(C)c1ccc(CNc2ccc3ncccc3c2[N+](=O)[O-])c[nH+]1 ZINC000051914389 400710122 /nfs/dbraw/zinc/71/01/22/400710122.db2.gz HATCKIJVZQCVBM-UHFFFAOYSA-N 1 2 323.356 3.216 20 5 DGBDLO Cc1c([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000157094189 400714868 /nfs/dbraw/zinc/71/48/68/400714868.db2.gz KAJDUJFYUPYTNL-LLVKDONJSA-N 1 2 320.418 3.277 20 5 DGBDLO CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000593146301 400775136 /nfs/dbraw/zinc/77/51/36/400775136.db2.gz LCRKRKGSQDBOAM-ZDUSSCGKSA-N 1 2 316.361 3.186 20 5 DGBDLO O=[N+]([O-])c1sccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000604432742 400776058 /nfs/dbraw/zinc/77/60/58/400776058.db2.gz WRHFNDOEVKYOGL-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DGBDLO O=[N+]([O-])c1c(NC[C@H]2CCC[C@H](O)C2)ccc2c[nH+]ccc21 ZINC000599049447 400937829 /nfs/dbraw/zinc/93/78/29/400937829.db2.gz XOWRCTYFPOECLM-AAEUAGOBSA-N 1 2 301.346 3.106 20 5 DGBDLO COC1(C)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599062578 400944832 /nfs/dbraw/zinc/94/48/32/400944832.db2.gz NIMXRRPHAJZVHQ-UHFFFAOYSA-N 1 2 301.346 3.148 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H](OC(F)F)C1 ZINC000599066650 400946889 /nfs/dbraw/zinc/94/68/89/400946889.db2.gz UQEHLRZQJOMVSR-NSHDSACASA-N 1 2 323.299 3.351 20 5 DGBDLO COC[C@@]1(C)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599084143 400955714 /nfs/dbraw/zinc/95/57/14/400955714.db2.gz SNYYPWNWMIALHM-INIZCTEOSA-N 1 2 301.346 3.006 20 5 DGBDLO C[C@H]1CCC[C@]1(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599086812 400957197 /nfs/dbraw/zinc/95/71/97/400957197.db2.gz SIIAVZZONUKSIA-ZBEGNZNMSA-N 1 2 301.346 3.106 20 5 DGBDLO O=[N+]([O-])c1c(NCCCC2(O)CCC2)ccc2c[nH+]ccc21 ZINC000599094052 400958991 /nfs/dbraw/zinc/95/89/91/400958991.db2.gz YSBJQDUZFNHOEI-UHFFFAOYSA-N 1 2 301.346 3.250 20 5 DGBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000599099634 400960512 /nfs/dbraw/zinc/96/05/12/400960512.db2.gz HMGWQKVDKYBGCJ-LLVKDONJSA-N 1 2 318.764 3.341 20 5 DGBDLO CC(C)([NH2+]Cc1cnc(C2CC2)o1)c1ccccc1[N+](=O)[O-] ZINC000600170379 401206565 /nfs/dbraw/zinc/20/65/65/401206565.db2.gz SBTPUEITNJTAKZ-UHFFFAOYSA-N 1 2 301.346 3.485 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000595010263 401229311 /nfs/dbraw/zinc/22/93/11/401229311.db2.gz APYVTFKRDMADAQ-SECBINFHSA-N 1 2 307.375 3.219 20 5 DGBDLO CCn1c2ccccc2[nH+]c1CCNc1ccc([N+](=O)[O-])cn1 ZINC000065947345 401286956 /nfs/dbraw/zinc/28/69/56/401286956.db2.gz BSKOKDNJUXNCHQ-UHFFFAOYSA-N 1 2 311.345 3.014 20 5 DGBDLO O=C(Nc1cccc2[nH+]ccn21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000358786898 286153987 /nfs/dbraw/zinc/15/39/87/286153987.db2.gz YKBZCEGCJUQGPL-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000365443654 287132619 /nfs/dbraw/zinc/13/26/19/287132619.db2.gz OTIQNEXGKMNLOS-MCMMXHMISA-N 1 2 324.446 3.061 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CC[S@](=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000365443654 287132620 /nfs/dbraw/zinc/13/26/20/287132620.db2.gz OTIQNEXGKMNLOS-MCMMXHMISA-N 1 2 324.446 3.061 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(N(C)C)c[nH+]1 ZINC000150896863 432199583 /nfs/dbraw/zinc/19/95/83/432199583.db2.gz QJKIENMINSZBOK-UHFFFAOYSA-N 1 2 316.361 3.067 20 5 DGBDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182461279 432192665 /nfs/dbraw/zinc/19/26/65/432192665.db2.gz DAALHVRGWPYGIT-JTQLQIEISA-N 1 2 308.769 3.175 20 5 DGBDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182461279 432192670 /nfs/dbraw/zinc/19/26/70/432192670.db2.gz DAALHVRGWPYGIT-JTQLQIEISA-N 1 2 308.769 3.175 20 5 DGBDLO C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000269675108 432195631 /nfs/dbraw/zinc/19/56/31/432195631.db2.gz YKZACVYBDUTHSP-QMTHXVAHSA-N 1 2 322.315 3.157 20 5 DGBDLO Cc1nc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCCCC2)no1 ZINC000299268230 229017608 /nfs/dbraw/zinc/01/76/08/229017608.db2.gz MDNYRZVCLLPLJH-UHFFFAOYSA-N 1 2 316.361 3.235 20 5 DGBDLO Cc1cc(NCCOC(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000302142011 230119204 /nfs/dbraw/zinc/11/92/04/230119204.db2.gz PKTSGKFFLQSCAE-UHFFFAOYSA-N 1 2 316.361 3.197 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346971856 264130871 /nfs/dbraw/zinc/13/08/71/264130871.db2.gz BNYLYHFRNWDGGC-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346971856 264130873 /nfs/dbraw/zinc/13/08/73/264130873.db2.gz BNYLYHFRNWDGGC-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO COc1ccncc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000346979541 264132774 /nfs/dbraw/zinc/13/27/74/264132774.db2.gz MABCXRDJXDADEZ-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccncc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000346979541 264132775 /nfs/dbraw/zinc/13/27/75/264132775.db2.gz MABCXRDJXDADEZ-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000347755119 264279419 /nfs/dbraw/zinc/27/94/19/264279419.db2.gz PDAGPLSFCQYIRZ-UHFFFAOYSA-N 1 2 322.368 3.208 20 5 DGBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccncc1F ZINC000352372644 265021753 /nfs/dbraw/zinc/02/17/53/265021753.db2.gz UZAMQMWSOUOJFM-MRVPVSSYSA-N 1 2 311.263 3.258 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000355750941 266172999 /nfs/dbraw/zinc/17/29/99/266172999.db2.gz MUWWXGQCHZSQOO-DOTOQJQBSA-N 1 2 320.389 3.135 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000355750941 266173003 /nfs/dbraw/zinc/17/30/03/266173003.db2.gz MUWWXGQCHZSQOO-DOTOQJQBSA-N 1 2 320.389 3.135 20 5 DGBDLO CC(C)c1ncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000440461300 276067140 /nfs/dbraw/zinc/06/71/40/276067140.db2.gz AMAXXBCIGSQEJY-UHFFFAOYSA-N 1 2 300.362 3.140 20 5 DGBDLO CC(C)c1ncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000440461300 276067142 /nfs/dbraw/zinc/06/71/42/276067142.db2.gz AMAXXBCIGSQEJY-UHFFFAOYSA-N 1 2 300.362 3.140 20 5 DGBDLO Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000268272859 278714187 /nfs/dbraw/zinc/71/41/87/278714187.db2.gz OZPZZUPAXJHVLO-WBMJQRKESA-N 1 2 300.362 3.187 20 5 DGBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H](C2CC2)O1 ZINC000413264729 278816308 /nfs/dbraw/zinc/81/63/08/278816308.db2.gz JYPIYLJGBNAPQQ-BZNIZROVSA-N 1 2 313.357 3.147 20 5 DGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000048811568 280374744 /nfs/dbraw/zinc/37/47/44/280374744.db2.gz ALNWNPHRSXDUMO-UHFFFAOYSA-N 1 2 315.348 3.056 20 5 DGBDLO Cc1cc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000119200559 431660223 /nfs/dbraw/zinc/66/02/23/431660223.db2.gz MWXPAJLHAQHWFF-LBPRGKRZSA-N 1 2 314.345 3.489 20 5 DGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045096306 431882022 /nfs/dbraw/zinc/88/20/22/431882022.db2.gz QZCKPEVVNPXZCH-UHFFFAOYSA-N 1 2 308.297 3.033 20 5 DGBDLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000152698250 432349725 /nfs/dbraw/zinc/34/97/25/432349725.db2.gz QGFZKVXDJHKGMX-ZDUSSCGKSA-N 1 2 323.356 3.026 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000175052058 432393439 /nfs/dbraw/zinc/39/34/39/432393439.db2.gz KSKKZXKSFWOKQW-ZDUSSCGKSA-N 1 2 315.373 3.372 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000175052058 432393441 /nfs/dbraw/zinc/39/34/41/432393441.db2.gz KSKKZXKSFWOKQW-ZDUSSCGKSA-N 1 2 315.373 3.372 20 5 DGBDLO Cc1n[nH]c(C)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154324423 432491288 /nfs/dbraw/zinc/49/12/88/432491288.db2.gz KFAUFHPRFHOAID-UHFFFAOYSA-N 1 2 300.362 3.099 20 5 DGBDLO Cc1n[nH]c(C)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154324423 432491293 /nfs/dbraw/zinc/49/12/93/432491293.db2.gz KFAUFHPRFHOAID-UHFFFAOYSA-N 1 2 300.362 3.099 20 5 DGBDLO CCCN(C(=O)c1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000194121541 432527243 /nfs/dbraw/zinc/52/72/43/432527243.db2.gz UTKBQVSAUCEDPP-UHFFFAOYSA-N 1 2 324.340 3.299 20 5 DGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](CO)c1ccccc1 ZINC000265426712 432698795 /nfs/dbraw/zinc/69/87/95/432698795.db2.gz ZHGJXGQEBNLIEE-MRXNPFEDSA-N 1 2 320.776 3.414 20 5 DGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](CO)c1ccccc1 ZINC000265426712 432698799 /nfs/dbraw/zinc/69/87/99/432698799.db2.gz ZHGJXGQEBNLIEE-MRXNPFEDSA-N 1 2 320.776 3.414 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000296395839 432903521 /nfs/dbraw/zinc/90/35/21/432903521.db2.gz VIMWNEXHIRPIPE-AWEZNQCLSA-N 1 2 300.362 3.224 20 5 DGBDLO CC(C)n1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000288989721 432911247 /nfs/dbraw/zinc/91/12/47/432911247.db2.gz DAFZKCJWTGKVSS-UHFFFAOYSA-N 1 2 317.393 3.178 20 5 DGBDLO CC(C)n1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000288989721 432911251 /nfs/dbraw/zinc/91/12/51/432911251.db2.gz DAFZKCJWTGKVSS-UHFFFAOYSA-N 1 2 317.393 3.178 20 5 DGBDLO Cc1cc[nH+]c(NCCNc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000341356661 433037350 /nfs/dbraw/zinc/03/73/50/433037350.db2.gz XNTNUYREFOEGFQ-UHFFFAOYSA-N 1 2 306.753 3.476 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(F)ccc3F)nc2c1 ZINC000446847394 433118513 /nfs/dbraw/zinc/11/85/13/433118513.db2.gz MDKHPLZRZPSDEQ-UHFFFAOYSA-N 1 2 318.283 3.039 20 5 DGBDLO CCC(=O)c1ccc(NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000280809072 433182436 /nfs/dbraw/zinc/18/24/36/433182436.db2.gz WTOXUKCFEQKUCR-GFCCVEGCSA-N 1 2 316.361 3.132 20 5 DGBDLO Cc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])on1 ZINC000290914181 433203714 /nfs/dbraw/zinc/20/37/14/433203714.db2.gz PRHXFIJQZPNHPO-UHFFFAOYSA-N 1 2 316.144 3.488 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](CCO)CC3)c2c1 ZINC000420634953 433236993 /nfs/dbraw/zinc/23/69/93/433236993.db2.gz DQVBFNZZDPJMDB-CYBMUJFWSA-N 1 2 315.373 3.132 20 5 DGBDLO Cc1cc[nH+]c(NCCNc2ccccc2[N+](=O)[O-])c1Cl ZINC000341809907 433291755 /nfs/dbraw/zinc/29/17/55/433291755.db2.gz SWWWEPLENJBNQF-UHFFFAOYSA-N 1 2 306.753 3.476 20 5 DGBDLO CCC1(CC)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000339094714 433357545 /nfs/dbraw/zinc/35/75/45/433357545.db2.gz MNZPVWNXVCQBHT-UHFFFAOYSA-N 1 2 310.419 3.408 20 5 DGBDLO CCC1(CC)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000339094714 433357551 /nfs/dbraw/zinc/35/75/51/433357551.db2.gz MNZPVWNXVCQBHT-UHFFFAOYSA-N 1 2 310.419 3.408 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)c2ccncc21 ZINC000299573441 433372679 /nfs/dbraw/zinc/37/26/79/433372679.db2.gz ULHUEWPWOUFWAZ-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO CC(C)[N@H+](Cc1cccnc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339054124 433337291 /nfs/dbraw/zinc/33/72/91/433337291.db2.gz MPSCZYQSSKGXOK-UHFFFAOYSA-N 1 2 301.346 3.106 20 5 DGBDLO CC(C)[N@@H+](Cc1cccnc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339054124 433337307 /nfs/dbraw/zinc/33/73/07/433337307.db2.gz MPSCZYQSSKGXOK-UHFFFAOYSA-N 1 2 301.346 3.106 20 5 DGBDLO CCc1cc(NCCSC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301057006 433398798 /nfs/dbraw/zinc/39/87/98/433398798.db2.gz AEVGSMYPDGYZPT-UHFFFAOYSA-N 1 2 318.402 3.389 20 5 DGBDLO O=[N+]([O-])c1cnc(NCCc2[nH]c3ccccc3[nH+]2)c(Cl)c1 ZINC000301253360 433471261 /nfs/dbraw/zinc/47/12/61/433471261.db2.gz CGVTYLLTZVMAPH-UHFFFAOYSA-N 1 2 317.736 3.174 20 5 DGBDLO CCC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448693397 433498532 /nfs/dbraw/zinc/49/85/32/433498532.db2.gz CGTBAUCYBGMUMO-LBPRGKRZSA-N 1 2 316.361 3.041 20 5 DGBDLO Cc1cccc2[nH+]c(CNc3c(F)cccc3[N+](=O)[O-])cn21 ZINC000342229773 433551101 /nfs/dbraw/zinc/55/11/01/433551101.db2.gz VIMMCEOTNPKFLM-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO CC(C)(C)c1nc(NCCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000301595727 433630650 /nfs/dbraw/zinc/63/06/50/433630650.db2.gz RZCMRIRCBQJVGT-UHFFFAOYSA-N 1 2 300.362 3.337 20 5 DGBDLO CCc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000421573434 433633152 /nfs/dbraw/zinc/63/31/52/433633152.db2.gz AUURKDVRNQPTFU-UHFFFAOYSA-N 1 2 313.357 3.099 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2c(F)cc(F)cc2F)cs1 ZINC000339522057 433635804 /nfs/dbraw/zinc/63/58/04/433635804.db2.gz HFLNPZQCLWTGFP-UHFFFAOYSA-N 1 2 302.277 3.363 20 5 DGBDLO Cc1ccsc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356525218 433603133 /nfs/dbraw/zinc/60/31/33/433603133.db2.gz LYJBQRXYCPWHCR-UHFFFAOYSA-N 1 2 304.371 3.359 20 5 DGBDLO Cc1ccsc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356525218 433603137 /nfs/dbraw/zinc/60/31/37/433603137.db2.gz LYJBQRXYCPWHCR-UHFFFAOYSA-N 1 2 304.371 3.359 20 5 DGBDLO COC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342337867 433621963 /nfs/dbraw/zinc/62/19/63/433621963.db2.gz FUMGFNGZQIDFFJ-ZDUSSCGKSA-N 1 2 310.350 3.273 20 5 DGBDLO CN(Cc1[nH]cc[nH+]1)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342415312 433673500 /nfs/dbraw/zinc/67/35/00/433673500.db2.gz OJWKIZOLBRDCGX-UHFFFAOYSA-N 1 2 301.133 3.261 20 5 DGBDLO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1cccc(F)c1 ZINC000370055966 293152483 /nfs/dbraw/zinc/15/24/83/293152483.db2.gz NZTRPXNAAFALFJ-IAQYHMDHSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1cccc(F)c1 ZINC000370055966 293152484 /nfs/dbraw/zinc/15/24/84/293152484.db2.gz NZTRPXNAAFALFJ-IAQYHMDHSA-N 1 2 318.352 3.051 20 5 DGBDLO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370054935 293152579 /nfs/dbraw/zinc/15/25/79/293152579.db2.gz FVHXONGUIMZEPL-DGCLKSJQSA-N 1 2 318.377 3.203 20 5 DGBDLO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370054935 293152580 /nfs/dbraw/zinc/15/25/80/293152580.db2.gz FVHXONGUIMZEPL-DGCLKSJQSA-N 1 2 318.377 3.203 20 5 DGBDLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342459616 433705092 /nfs/dbraw/zinc/70/50/92/433705092.db2.gz VALJMEHAXVZGBV-QFYYESIMSA-N 1 2 302.305 3.346 20 5 DGBDLO Cn1c2ccccc2[nH+]c1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000427500110 433720996 /nfs/dbraw/zinc/72/09/96/433720996.db2.gz RSWPSHHSLXXCEQ-UHFFFAOYSA-N 1 2 308.341 3.044 20 5 DGBDLO CSCc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000293546129 433778220 /nfs/dbraw/zinc/77/82/20/433778220.db2.gz KROOBCQLFRVKJM-UHFFFAOYSA-N 1 2 309.416 3.204 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CCN2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000339854736 433825837 /nfs/dbraw/zinc/82/58/37/433825837.db2.gz JKHWTEYUMMOLAB-UHFFFAOYSA-N 1 2 320.352 3.343 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)cc1[N+](=O)[O-] ZINC000433044668 433839131 /nfs/dbraw/zinc/83/91/31/433839131.db2.gz BQMDAQRGDHFDRP-WHEQGISXSA-N 1 2 324.446 3.061 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)cc1[N+](=O)[O-] ZINC000433044668 433839139 /nfs/dbraw/zinc/83/91/39/433839139.db2.gz BQMDAQRGDHFDRP-WHEQGISXSA-N 1 2 324.446 3.061 20 5 DGBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284116725 433841317 /nfs/dbraw/zinc/84/13/17/433841317.db2.gz NLEIHRARGHUQAJ-NSHDSACASA-N 1 2 316.317 3.091 20 5 DGBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284116725 433841325 /nfs/dbraw/zinc/84/13/25/433841325.db2.gz NLEIHRARGHUQAJ-NSHDSACASA-N 1 2 316.317 3.091 20 5 DGBDLO Cc1cnc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)s1 ZINC000344519090 433871932 /nfs/dbraw/zinc/87/19/32/433871932.db2.gz SFIRKZOPRAJHJJ-CQSZACIVSA-N 1 2 319.386 3.306 20 5 DGBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000362925879 433912069 /nfs/dbraw/zinc/91/20/69/433912069.db2.gz WBOFONOCTQJTKZ-VHSXEESVSA-N 1 2 321.356 3.216 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506324539 294269527 /nfs/dbraw/zinc/26/95/27/294269527.db2.gz JSWHNURLWLZGNT-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506324539 294269531 /nfs/dbraw/zinc/26/95/31/294269531.db2.gz JSWHNURLWLZGNT-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1[nH+]c2ccccc2n1C ZINC000509475548 294353141 /nfs/dbraw/zinc/35/31/41/294353141.db2.gz LZKDNMGAXBWELN-UHFFFAOYSA-N 1 2 310.357 3.160 20 5 DGBDLO Cc1cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)nc(C(C)C)[nH+]1 ZINC000450553942 434264504 /nfs/dbraw/zinc/26/45/04/434264504.db2.gz RCEABWCNCQJNJE-LBPRGKRZSA-N 1 2 300.362 3.990 20 5 DGBDLO Cc1cc(N[C@@H]2CC[C@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340842887 434387922 /nfs/dbraw/zinc/38/79/22/434387922.db2.gz ABIPKLQOERFCMM-QWHCGFSZSA-N 1 2 316.336 3.085 20 5 DGBDLO Cc1cc(NCc2ccn3cc[nH+]c3c2)c(F)cc1[N+](=O)[O-] ZINC000360046764 434491803 /nfs/dbraw/zinc/49/18/03/434491803.db2.gz HZPRRSFXISTZKW-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO COc1ccc(C[NH2+]Cc2c(F)cc(C)cc2F)cc1[N+](=O)[O-] ZINC000424152850 434638644 /nfs/dbraw/zinc/63/86/44/434638644.db2.gz JDISITDHSITJGZ-UHFFFAOYSA-N 1 2 322.311 3.480 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441031741 434760226 /nfs/dbraw/zinc/76/02/26/434760226.db2.gz PWRNEZYERKIDMB-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000441031741 434760231 /nfs/dbraw/zinc/76/02/31/434760231.db2.gz PWRNEZYERKIDMB-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO Cc1cccc(NCc2ccc(-n3cc[nH+]c3)nc2)c1[N+](=O)[O-] ZINC000372601093 434842195 /nfs/dbraw/zinc/84/21/95/434842195.db2.gz RBJFILWGXZOHOY-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1occc1C ZINC000412023337 434854455 /nfs/dbraw/zinc/85/44/55/434854455.db2.gz CDOKCPFIUBCQIG-UHFFFAOYSA-N 1 2 314.345 3.395 20 5 DGBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1occc1C ZINC000412023337 434854457 /nfs/dbraw/zinc/85/44/57/434854457.db2.gz CDOKCPFIUBCQIG-UHFFFAOYSA-N 1 2 314.345 3.395 20 5 DGBDLO COc1cc(NCCc2ccc(C)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000535070868 435314751 /nfs/dbraw/zinc/31/47/51/435314751.db2.gz SZXFUDAHMPZPDD-UHFFFAOYSA-N 1 2 305.309 3.101 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000484013759 435537871 /nfs/dbraw/zinc/53/78/71/435537871.db2.gz TVANUQZOTADUNW-UHFFFAOYSA-N 1 2 312.369 3.470 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cc(C)ccc2C1 ZINC000484013759 435537875 /nfs/dbraw/zinc/53/78/75/435537875.db2.gz TVANUQZOTADUNW-UHFFFAOYSA-N 1 2 312.369 3.470 20 5 DGBDLO Cn1c2ccc(CNc3ncccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000572134720 435785283 /nfs/dbraw/zinc/78/52/83/435785283.db2.gz IDUDCNMIWNYKLD-UHFFFAOYSA-N 1 2 323.356 3.366 20 5 DGBDLO Cc1cccnc1[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000344448817 302243380 /nfs/dbraw/zinc/24/33/80/302243380.db2.gz NLXCXKASDNZJAH-INIZCTEOSA-N 1 2 315.373 3.491 20 5 DGBDLO Cc1cccnc1[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000344448819 302247030 /nfs/dbraw/zinc/24/70/30/302247030.db2.gz NLXCXKASDNZJAH-MRXNPFEDSA-N 1 2 315.373 3.491 20 5 DGBDLO Cc1c[nH+]cc(CCc2nc(-c3ccc([N+](=O)[O-])s3)no2)c1 ZINC000350520733 312914073 /nfs/dbraw/zinc/91/40/73/312914073.db2.gz FXCHJQISCPSOPD-UHFFFAOYSA-N 1 2 316.342 3.195 20 5 DGBDLO Cc1cc(N[C@H]2CCC[C@H]2F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000555272382 314717901 /nfs/dbraw/zinc/71/79/01/314717901.db2.gz NZNQIRIGJPKCLV-KGLIPLIRSA-N 1 2 316.336 3.085 20 5 DGBDLO O=[N+]([O-])c1ccc(CCOc2ccccc2-n2cc[nH+]c2)cc1 ZINC000561715764 314979879 /nfs/dbraw/zinc/97/98/79/314979879.db2.gz HQNCYCPFKLMITA-UHFFFAOYSA-N 1 2 309.325 3.402 20 5 DGBDLO CCc1nc(C)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000574862885 316008370 /nfs/dbraw/zinc/00/83/70/316008370.db2.gz AUEXHVQNIZSFFY-UHFFFAOYSA-N 1 2 301.346 3.012 20 5 DGBDLO CCc1nc(C)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000574862885 316008375 /nfs/dbraw/zinc/00/83/75/316008375.db2.gz AUEXHVQNIZSFFY-UHFFFAOYSA-N 1 2 301.346 3.012 20 5 DGBDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000576858085 316175072 /nfs/dbraw/zinc/17/50/72/316175072.db2.gz HECXIRKWBSBAKY-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000576858085 316175077 /nfs/dbraw/zinc/17/50/77/316175077.db2.gz HECXIRKWBSBAKY-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180392648 323228234 /nfs/dbraw/zinc/22/82/34/323228234.db2.gz KGRLCWZLUNLAHW-GFCCVEGCSA-N 1 2 324.340 3.496 20 5 DGBDLO C[C@H]([NH2+]Cc1noc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180444310 323229343 /nfs/dbraw/zinc/22/93/43/323229343.db2.gz UDRZYFQGPYCZJH-LBPRGKRZSA-N 1 2 324.340 3.496 20 5 DGBDLO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181844467 323271645 /nfs/dbraw/zinc/27/16/45/323271645.db2.gz NVRIALWPDNRQQO-GFCCVEGCSA-N 1 2 317.393 3.064 20 5 DGBDLO CC(C)c1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000578779051 323782639 /nfs/dbraw/zinc/78/26/39/323782639.db2.gz DAHOUOLXFQOLNK-UHFFFAOYSA-N 1 2 316.361 3.106 20 5 DGBDLO C[C@H](O)CC(C)(C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413170283 534052324 /nfs/dbraw/zinc/05/23/24/534052324.db2.gz ZAMQFJGFDUOWAE-NSHDSACASA-N 1 2 303.362 3.352 20 5 DGBDLO O=[N+]([O-])c1ccc2ccnc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000413098048 534884175 /nfs/dbraw/zinc/88/41/75/534884175.db2.gz DOCWZTCFVQQIFN-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO CC(C)([NH2+]Cc1cn2ccsc2n1)c1ccccc1[N+](=O)[O-] ZINC000429268019 527295613 /nfs/dbraw/zinc/29/56/13/527295613.db2.gz PRSAXFADEQAROK-UHFFFAOYSA-N 1 2 316.386 3.329 20 5 DGBDLO CCC[N@@H+](Cc1ccc(F)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746034517 575428152 /nfs/dbraw/zinc/42/81/52/575428152.db2.gz TVBGJMOHWRTOME-UHFFFAOYSA-N 1 2 320.368 3.417 20 5 DGBDLO CCC[N@H+](Cc1ccc(F)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746034517 575428155 /nfs/dbraw/zinc/42/81/55/575428155.db2.gz TVBGJMOHWRTOME-UHFFFAOYSA-N 1 2 320.368 3.417 20 5 DGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000788008484 617668118 /nfs/dbraw/zinc/66/81/18/617668118.db2.gz BLIJVQVYSFBXOC-UHFFFAOYSA-N 1 2 319.292 3.274 20 5 DGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000788008484 617668119 /nfs/dbraw/zinc/66/81/19/617668119.db2.gz BLIJVQVYSFBXOC-UHFFFAOYSA-N 1 2 319.292 3.274 20 5 DGBDLO Cc1cc(C)c(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c[nH+]1 ZINC000891370115 617783641 /nfs/dbraw/zinc/78/36/41/617783641.db2.gz KMJCLWLPSXHKEW-UHFFFAOYSA-N 1 2 313.357 3.153 20 5 DGBDLO COc1c(O)ccc(C[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000891482384 617813162 /nfs/dbraw/zinc/81/31/62/617813162.db2.gz UTCDPBHLVGLVFI-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO COc1c(O)ccc(C[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000891482384 617813172 /nfs/dbraw/zinc/81/31/72/617813172.db2.gz UTCDPBHLVGLVFI-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO CCOc1cc(NCc2cc[nH+]c(NC)c2)ccc1[N+](=O)[O-] ZINC000895255865 618583671 /nfs/dbraw/zinc/58/36/71/618583671.db2.gz QTXMLWPIOXUSHT-UHFFFAOYSA-N 1 2 302.334 3.042 20 5 DGBDLO Cc1cc(N2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000895353765 618601414 /nfs/dbraw/zinc/60/14/14/618601414.db2.gz VAIHQJASKKKMEG-UHFFFAOYSA-N 1 2 312.373 3.379 20 5 DGBDLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000895667179 618815525 /nfs/dbraw/zinc/81/55/25/618815525.db2.gz BFUMIKJQTHYMFQ-GFCCVEGCSA-N 1 2 313.361 3.158 20 5 DGBDLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000895667179 618815528 /nfs/dbraw/zinc/81/55/28/618815528.db2.gz BFUMIKJQTHYMFQ-GFCCVEGCSA-N 1 2 313.361 3.158 20 5 DGBDLO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000927113259 619267547 /nfs/dbraw/zinc/26/75/47/619267547.db2.gz YBFIJKBZLVLPIV-NSHDSACASA-N 1 2 300.362 3.057 20 5 DGBDLO COc1cc([C@H](C)[NH2+][C@H](C)c2nnc(C)s2)cc([N+](=O)[O-])c1 ZINC000903154746 619726418 /nfs/dbraw/zinc/72/64/18/619726418.db2.gz WFCGCMGHSWXRHI-DTWKUNHWSA-N 1 2 322.390 3.175 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cc(N(C)C)ccn2)cc1[N+](=O)[O-] ZINC000903203980 619736339 /nfs/dbraw/zinc/73/63/39/619736339.db2.gz ZNYXLSXYPIYNJO-CYBMUJFWSA-N 1 2 314.389 3.215 20 5 DGBDLO Cc1sc(C[NH2+]CC[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000905069373 619970221 /nfs/dbraw/zinc/97/02/21/619970221.db2.gz WQAIMVLYFLQRNO-UHFFFAOYSA-N 1 2 311.794 3.138 20 5 DGBDLO Cc1cc(C)c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000907220591 620144107 /nfs/dbraw/zinc/14/41/07/620144107.db2.gz JXCQSAUIPYZPMK-GFCCVEGCSA-N 1 2 313.357 3.406 20 5 DGBDLO O=C(O[C@@H]1C=CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102872 621210597 /nfs/dbraw/zinc/21/05/97/621210597.db2.gz ZLRAPLGCVAQEFN-CYBMUJFWSA-N 1 2 313.313 3.046 20 5 DGBDLO COc1ccc(OCCn2c[nH+]c(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000865376045 621905089 /nfs/dbraw/zinc/90/50/89/621905089.db2.gz WUWSUPGKUGNYSH-UHFFFAOYSA-N 1 2 319.361 3.176 20 5 DGBDLO COc1cc(Cn2c[nH+]c(C(C)(C)C)c2)c([N+](=O)[O-])cc1F ZINC000865376166 621905324 /nfs/dbraw/zinc/90/53/24/621905324.db2.gz BXZWHIHRBQFSOM-UHFFFAOYSA-N 1 2 307.325 3.285 20 5 DGBDLO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000866561881 622138265 /nfs/dbraw/zinc/13/82/65/622138265.db2.gz AOKHBSGCLKOLKY-VIFPVBQESA-N 1 2 310.304 3.117 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000771150990 622720601 /nfs/dbraw/zinc/72/06/01/622720601.db2.gz ATPPFYUBJMJZPX-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000771150990 622720604 /nfs/dbraw/zinc/72/06/04/622720604.db2.gz ATPPFYUBJMJZPX-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040129 622768793 /nfs/dbraw/zinc/76/87/93/622768793.db2.gz KPALRJXJYRGVFG-SWLSCSKDSA-N 1 2 318.348 3.427 20 5 DGBDLO Cc1c(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cccc1[N+](=O)[O-] ZINC000873105639 623036574 /nfs/dbraw/zinc/03/65/74/623036574.db2.gz ZWOYKMRZURCVFI-CYBMUJFWSA-N 1 2 320.295 3.405 20 5 DGBDLO C[C@H]1CC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000779256380 623748121 /nfs/dbraw/zinc/74/81/21/623748121.db2.gz FGRGAJDOPGYXPS-AAEUAGOBSA-N 1 2 315.329 3.126 20 5 DGBDLO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000877827642 624059403 /nfs/dbraw/zinc/05/94/03/624059403.db2.gz GYEMZMAGVKPIOM-LLVKDONJSA-N 1 2 318.329 3.215 20 5 DGBDLO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000877827829 624059545 /nfs/dbraw/zinc/05/95/45/624059545.db2.gz UIMCOLRKRJBFMY-SECBINFHSA-N 1 2 308.769 3.141 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)ccc1Cl ZINC000781353427 624060116 /nfs/dbraw/zinc/06/01/16/624060116.db2.gz IYQPYNXBSNDDTE-SNVBAGLBSA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)ccc1Cl ZINC000781353427 624060121 /nfs/dbraw/zinc/06/01/21/624060121.db2.gz IYQPYNXBSNDDTE-SNVBAGLBSA-N 1 2 320.723 3.452 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880047698 624766375 /nfs/dbraw/zinc/76/63/75/624766375.db2.gz WVVCGOFLJCYGCZ-GWCFXTLKSA-N 1 2 318.295 3.309 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880047698 624766378 /nfs/dbraw/zinc/76/63/78/624766378.db2.gz WVVCGOFLJCYGCZ-GWCFXTLKSA-N 1 2 318.295 3.309 20 5 DGBDLO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000797525521 626150826 /nfs/dbraw/zinc/15/08/26/626150826.db2.gz AJUPUVBLNRZLJU-JTQLQIEISA-N 1 2 323.780 3.085 20 5 DGBDLO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000797525521 626150828 /nfs/dbraw/zinc/15/08/28/626150828.db2.gz AJUPUVBLNRZLJU-JTQLQIEISA-N 1 2 323.780 3.085 20 5 DGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)on1 ZINC000801510539 626406407 /nfs/dbraw/zinc/40/64/07/626406407.db2.gz WRMDTLTVJUXGHK-AWEZNQCLSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)on1 ZINC000801510539 626406409 /nfs/dbraw/zinc/40/64/09/626406409.db2.gz WRMDTLTVJUXGHK-AWEZNQCLSA-N 1 2 305.309 3.367 20 5 DGBDLO Cn1c[nH+]c2cc(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])ccc21 ZINC000804527387 626690111 /nfs/dbraw/zinc/69/01/11/626690111.db2.gz YLGQYHAZKGWNCB-UHFFFAOYSA-N 1 2 313.273 3.133 20 5 DGBDLO CC[C@]1(O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809982698 626965347 /nfs/dbraw/zinc/96/53/47/626965347.db2.gz WXMPOQVUCBZILP-ZDUSSCGKSA-N 1 2 319.188 3.248 20 5 DGBDLO CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809982698 626965348 /nfs/dbraw/zinc/96/53/48/626965348.db2.gz WXMPOQVUCBZILP-ZDUSSCGKSA-N 1 2 319.188 3.248 20 5 DGBDLO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000886896583 627212679 /nfs/dbraw/zinc/21/26/79/627212679.db2.gz OEUOGZIKTKOKLE-UHFFFAOYSA-N 1 2 307.300 3.293 20 5 DGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccn2cc[nH+]c2c1 ZINC000811817112 627325140 /nfs/dbraw/zinc/32/51/40/627325140.db2.gz OEGUUFKRIRVZLT-UHFFFAOYSA-N 1 2 310.313 3.057 20 5 DGBDLO CC(C)c1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1[N+](=O)[O-] ZINC000824520864 628666214 /nfs/dbraw/zinc/66/62/14/628666214.db2.gz CKYJVGWCWATWPV-CQSZACIVSA-N 1 2 300.362 3.149 20 5 DGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(Cl)n1 ZINC000829696670 629183566 /nfs/dbraw/zinc/18/35/66/629183566.db2.gz IYXUAEPCORREPV-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(Cl)n1 ZINC000829696670 629183568 /nfs/dbraw/zinc/18/35/68/629183568.db2.gz IYXUAEPCORREPV-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO C[C@H](CC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000844336081 630719945 /nfs/dbraw/zinc/71/99/45/630719945.db2.gz KARSMVQBKBNFNX-VXGBXAGGSA-N 1 2 303.318 3.047 20 5 DGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCCc1[nH+]cc(C)cc1C ZINC000848755849 631742622 /nfs/dbraw/zinc/74/26/22/631742622.db2.gz IKTMRLUOHJPFKY-UHFFFAOYSA-N 1 2 313.357 3.464 20 5 DGBDLO Cc1cc(F)ccc1C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000793548360 661044732 /nfs/dbraw/zinc/04/47/32/661044732.db2.gz XIMNNOAQIAXXHE-UHFFFAOYSA-N 1 2 318.352 3.076 20 5 DGBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000180437422 655965713 /nfs/dbraw/zinc/96/57/13/655965713.db2.gz XOONMKXCTXBOOC-SNVBAGLBSA-N 1 2 319.292 3.493 20 5 DGBDLO CCCOC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172761333 659354606 /nfs/dbraw/zinc/35/46/06/659354606.db2.gz XFTMIFZTCFKQSN-CYBMUJFWSA-N 1 2 308.378 3.147 20 5 DGBDLO CCCOC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172761333 659354610 /nfs/dbraw/zinc/35/46/10/659354610.db2.gz XFTMIFZTCFKQSN-CYBMUJFWSA-N 1 2 308.378 3.147 20 5 DGBDLO Cc1ccc([C@H]2CCCC[N@@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000172917756 659366165 /nfs/dbraw/zinc/36/61/65/659366165.db2.gz SMHVATZWLGFBPX-OAHLLOKOSA-N 1 2 300.362 3.284 20 5 DGBDLO Cc1ccc([C@H]2CCCC[N@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000172917756 659366171 /nfs/dbraw/zinc/36/61/71/659366171.db2.gz SMHVATZWLGFBPX-OAHLLOKOSA-N 1 2 300.362 3.284 20 5 DGBDLO COc1ccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1C ZINC000933484103 661636119 /nfs/dbraw/zinc/63/61/19/661636119.db2.gz YXYGFVSKJDMBOI-GFCCVEGCSA-N 1 2 316.357 3.468 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)c(N2CC([NH+]3CCCC3)C2)c(Cl)c1 ZINC001640140018 1194798165 /nfs/dbraw/zinc/79/81/65/1194798165.db2.gz RUDNKKVVRILAMG-UHFFFAOYSA-N 1 2 316.188 3.186 20 5 DGBDLO Cn1c[nH+]c(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001335305791 1178890672 /nfs/dbraw/zinc/89/06/72/1178890672.db2.gz NBLLTFZSOLFGAY-UHFFFAOYSA-N 1 2 314.267 3.002 20 5 DGBDLO CCn1c[nH+]cc1COC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001346746622 1179742017 /nfs/dbraw/zinc/74/20/17/1179742017.db2.gz GERLIAIRWCCOMK-UHFFFAOYSA-N 1 2 317.345 3.292 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001435149910 1181792593 /nfs/dbraw/zinc/79/25/93/1181792593.db2.gz KRVJOJVYTLGZKC-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO O=[N+]([O-])c1ccc(OC2C[NH+](CCc3ccc(F)cc3)C2)cc1 ZINC001462328923 1182940192 /nfs/dbraw/zinc/94/01/92/1182940192.db2.gz XUIORNUIINXRMR-UHFFFAOYSA-N 1 2 316.332 3.040 20 5 DGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1-n1cc[nH+]c1 ZINC001464825703 1183115126 /nfs/dbraw/zinc/11/51/26/1183115126.db2.gz LMUFBWAGUQALJB-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001473785774 1183801697 /nfs/dbraw/zinc/80/16/97/1183801697.db2.gz VSNOQEWOUJVAPF-JTQLQIEISA-N 1 2 319.292 3.493 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)[nH+]c1C ZINC001560139414 1189282820 /nfs/dbraw/zinc/28/28/20/1189282820.db2.gz ZMJYXFYPYKJYHH-OAHLLOKOSA-N 1 2 318.352 3.411 20 5 DGBDLO Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)cc(C)[nH+]1 ZINC001626808037 1194096766 /nfs/dbraw/zinc/09/67/66/1194096766.db2.gz DBXDWFQQTIHKDS-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO O=[N+]([O-])c1cccc2c1ccnc2NCCCNc1cccc[nH+]1 ZINC001639293080 1194758990 /nfs/dbraw/zinc/75/89/90/1194758990.db2.gz BXSFMYDANINXOZ-UHFFFAOYSA-N 1 2 323.356 3.452 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)c(C(F)F)c1 ZINC001641987325 1194882425 /nfs/dbraw/zinc/88/24/25/1194882425.db2.gz RHYBGJDHQTUDJK-UHFFFAOYSA-N 1 2 308.288 3.451 20 5 DGBDLO CCc1[nH]c(CNc2nc3ccc([N+](=O)[O-])cc3s2)c[nH+]1 ZINC001643240595 1195007621 /nfs/dbraw/zinc/00/76/21/1195007621.db2.gz KFWVZJYZCVFFIS-UHFFFAOYSA-N 1 2 303.347 3.102 20 5 DGBDLO CCc1[nH]cc(CNc2nc3ccc([N+](=O)[O-])cc3s2)[nH+]1 ZINC001643240595 1195007625 /nfs/dbraw/zinc/00/76/25/1195007625.db2.gz KFWVZJYZCVFFIS-UHFFFAOYSA-N 1 2 303.347 3.102 20 5 DGBDLO Cc1ccc(C[NH2+][C@H](CO)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001655880660 1195973193 /nfs/dbraw/zinc/97/31/93/1195973193.db2.gz PMSPBOCNGFYOJF-OAHLLOKOSA-N 1 2 322.311 3.005 20 5 DGBDLO CCc1[nH]c(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC001655896316 1195974731 /nfs/dbraw/zinc/97/47/31/1195974731.db2.gz KRBJTQDRQPVAMJ-UHFFFAOYSA-N 1 2 310.741 3.154 20 5 DGBDLO CCc1[nH]cc(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)[nH+]1 ZINC001655896316 1195974734 /nfs/dbraw/zinc/97/47/34/1195974734.db2.gz KRBJTQDRQPVAMJ-UHFFFAOYSA-N 1 2 310.741 3.154 20 5 DGBDLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC001657087805 1196103509 /nfs/dbraw/zinc/10/35/09/1196103509.db2.gz ODYLOBVTXITEHJ-NSHDSACASA-N 1 2 317.393 3.250 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCn4ccnc43)o2)c1 ZINC001657413402 1196138329 /nfs/dbraw/zinc/13/83/29/1196138329.db2.gz MYEIPNBDHVSMOJ-HNNXBMFYSA-N 1 2 324.340 3.286 20 5 DGBDLO Cn1c2ccccc2[nH+]c1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001665965478 1197222111 /nfs/dbraw/zinc/22/21/11/1197222111.db2.gz KMPPCPMYHLORAR-UHFFFAOYSA-N 1 2 323.312 3.235 20 5 DGBDLO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCCCn1cc[nH+]c1 ZINC001161688124 1089348286 /nfs/dbraw/zinc/34/82/86/1089348286.db2.gz KFYLYJGRJOYRGE-UHFFFAOYSA-N 1 2 324.768 3.264 20 5 DGBDLO Cc1cccc(COC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001223660093 1096029286 /nfs/dbraw/zinc/02/92/86/1096029286.db2.gz YUKXUPCJRCVXSF-UHFFFAOYSA-N 1 2 312.369 3.304 20 5 DGBDLO CC(C)(C)c1cn(CCC(=O)Nc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC001119002522 1096121605 /nfs/dbraw/zinc/12/16/05/1096121605.db2.gz QQHFZEXBNWENAN-UHFFFAOYSA-N 1 2 316.361 3.118 20 5 DGBDLO Cc1cc[nH+]c(C)c1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001227263160 1096906744 /nfs/dbraw/zinc/90/67/44/1096906744.db2.gz CLTORXXHOOEAQR-AWEZNQCLSA-N 1 2 313.357 3.264 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC(F)(C3CC3)C1)CC2 ZINC001172908493 1097270308 /nfs/dbraw/zinc/27/03/08/1097270308.db2.gz MTRMFNIPVXRHQJ-OAHLLOKOSA-N 1 2 304.365 3.276 20 5 DGBDLO C[N@@H+]1CCO[C@H](COc2nccc3c4ccccc4ccc32)C1 ZINC001230203700 1097457173 /nfs/dbraw/zinc/45/71/73/1097457173.db2.gz WHAJXPOYBHZIFJ-HNNXBMFYSA-N 1 2 308.381 3.097 20 5 DGBDLO C[N@H+]1CCO[C@H](COc2nccc3c4ccccc4ccc32)C1 ZINC001230203700 1097457177 /nfs/dbraw/zinc/45/71/77/1097457177.db2.gz WHAJXPOYBHZIFJ-HNNXBMFYSA-N 1 2 308.381 3.097 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1=O ZINC001232217855 1097970350 /nfs/dbraw/zinc/97/03/50/1097970350.db2.gz AFLVICMZQQHOGM-ZDUSSCGKSA-N 1 2 305.381 3.194 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1=O ZINC001232217855 1097970354 /nfs/dbraw/zinc/97/03/54/1097970354.db2.gz AFLVICMZQQHOGM-ZDUSSCGKSA-N 1 2 305.381 3.194 20 5 DGBDLO CCNc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC001192671863 1100649421 /nfs/dbraw/zinc/64/94/21/1100649421.db2.gz BYMWMUOSAJYEGE-SNVBAGLBSA-N 1 2 306.391 3.334 20 5 DGBDLO O=[N+]([O-])c1cc(O)cc(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001201222367 1102532327 /nfs/dbraw/zinc/53/23/27/1102532327.db2.gz LTTPDGSDNLKDHO-UHFFFAOYSA-N 1 2 310.313 3.289 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001329010133 1104123482 /nfs/dbraw/zinc/12/34/82/1104123482.db2.gz ZFDYMTKKSVNODA-UHFFFAOYSA-N 1 2 308.341 3.275 20 5 DGBDLO COc1ccc(Nc2ccc[nH+]c2N2CCCC2)c([N+](=O)[O-])c1 ZINC001248460892 1105115871 /nfs/dbraw/zinc/11/58/71/1105115871.db2.gz GQTMHERADDHIEA-UHFFFAOYSA-N 1 2 314.345 3.342 20 5 DGBDLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535097 1106097723 /nfs/dbraw/zinc/09/77/23/1106097723.db2.gz GOOUTJHKPMFFIC-HIFRSBDPSA-N 1 2 322.405 3.093 20 5 DGBDLO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001254542107 1106099560 /nfs/dbraw/zinc/09/95/60/1106099560.db2.gz MAKZPXBXSCWEKI-OCCSQVGLSA-N 1 2 322.405 3.236 20 5 DGBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001254552317 1106102245 /nfs/dbraw/zinc/10/22/45/1106102245.db2.gz KUXBYURYYZIJOR-GWCFXTLKSA-N 1 2 302.296 3.205 20 5 DGBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001254552317 1106102247 /nfs/dbraw/zinc/10/22/47/1106102247.db2.gz KUXBYURYYZIJOR-GWCFXTLKSA-N 1 2 302.296 3.205 20 5 DGBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(Oc2ccccc2)C1 ZINC001254562852 1106104320 /nfs/dbraw/zinc/10/43/20/1106104320.db2.gz PSJXOXGTJLCKAR-CQSZACIVSA-N 1 2 312.369 3.289 20 5 DGBDLO Cc1nc(N2Cc3ccc([N+](=O)[O-])cc3C2)c2c([nH+]1)CCCC2 ZINC001323660503 1108044495 /nfs/dbraw/zinc/04/44/95/1108044495.db2.gz QUMUUSKDDZYSDY-UHFFFAOYSA-N 1 2 310.357 3.092 20 5 DGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)C1(C)C ZINC001319581986 1108537832 /nfs/dbraw/zinc/53/78/32/1108537832.db2.gz QGFVAYDDHZIPPS-NSHDSACASA-N 1 2 305.378 3.042 20 5 DGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)C1(C)C ZINC001319581986 1108537844 /nfs/dbraw/zinc/53/78/44/1108537844.db2.gz QGFVAYDDHZIPPS-NSHDSACASA-N 1 2 305.378 3.042 20 5 DGBDLO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001308049196 1111371189 /nfs/dbraw/zinc/37/11/89/1111371189.db2.gz DIJSQOKCWQEBJB-JTQLQIEISA-N 1 2 319.292 3.493 20 5 DGBDLO Cc1ncc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000083168815 185215517 /nfs/dbraw/zinc/21/55/17/185215517.db2.gz RUGBIKDHOYOGLL-UHFFFAOYSA-N 1 2 318.358 3.133 20 5 DGBDLO Cc1ncc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000083168815 185215518 /nfs/dbraw/zinc/21/55/18/185215518.db2.gz RUGBIKDHOYOGLL-UHFFFAOYSA-N 1 2 318.358 3.133 20 5 DGBDLO CCc1cc(NC[C@@H](C)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302698402 529556681 /nfs/dbraw/zinc/55/66/81/529556681.db2.gz WWJHDHUZLYSLDC-LLVKDONJSA-N 1 2 316.361 3.061 20 5 DGBDLO COc1cccc(NCCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000286598175 219075157 /nfs/dbraw/zinc/07/51/57/219075157.db2.gz OWVQRCRWHVJNNJ-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO CN(C[C@@H]1CCCC[C@H]1O)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413245372 529948080 /nfs/dbraw/zinc/94/80/80/529948080.db2.gz XSDVFIIFPZHPPW-XJKSGUPXSA-N 1 2 315.373 3.130 20 5 DGBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000428132163 530026635 /nfs/dbraw/zinc/02/66/35/530026635.db2.gz RSLXSYUNPFTJOV-UHFFFAOYSA-N 1 2 304.350 3.132 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCO)Cc1ccccc1 ZINC000107904900 432042738 /nfs/dbraw/zinc/04/27/38/432042738.db2.gz YIJKTLXRMTZBRQ-UHFFFAOYSA-N 1 2 320.776 3.243 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCO)Cc1ccccc1 ZINC000107904900 432042740 /nfs/dbraw/zinc/04/27/40/432042740.db2.gz YIJKTLXRMTZBRQ-UHFFFAOYSA-N 1 2 320.776 3.243 20 5 DGBDLO CC(C)Cc1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180426920 199157123 /nfs/dbraw/zinc/15/71/23/199157123.db2.gz LXEBLGOAJIPBHX-LLVKDONJSA-N 1 2 304.350 3.027 20 5 DGBDLO CCCCc1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180392323 199153334 /nfs/dbraw/zinc/15/33/34/199153334.db2.gz NSEWQMSCKNDGAK-LLVKDONJSA-N 1 2 304.350 3.171 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000430210799 238071035 /nfs/dbraw/zinc/07/10/35/238071035.db2.gz FXLTWRGIROPMNW-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000430210799 238071036 /nfs/dbraw/zinc/07/10/36/238071036.db2.gz FXLTWRGIROPMNW-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000194619332 201263246 /nfs/dbraw/zinc/26/32/46/201263246.db2.gz XESVHZNNPLISEZ-GFCCVEGCSA-N 1 2 310.357 3.332 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]3c3ccccc3)nc2c1 ZINC000444654692 239316022 /nfs/dbraw/zinc/31/60/22/239316022.db2.gz XYOMBKVWGBFWSZ-MRXNPFEDSA-N 1 2 308.341 3.418 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]3c3ccccc3)nc2c1 ZINC000444654692 239316028 /nfs/dbraw/zinc/31/60/28/239316028.db2.gz XYOMBKVWGBFWSZ-MRXNPFEDSA-N 1 2 308.341 3.418 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1COc1cccc(-n2cc[nH+]c2)c1 ZINC000072674405 283756152 /nfs/dbraw/zinc/75/61/52/283756152.db2.gz YCKIIXXVILUPBD-UHFFFAOYSA-N 1 2 313.288 3.499 20 5 DGBDLO Cn1ccnc1[C@@H]([NH2+]CCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449355201 240152922 /nfs/dbraw/zinc/15/29/22/240152922.db2.gz WUUGRHWGBYUTAT-ZDUSSCGKSA-N 1 2 324.331 3.053 20 5 DGBDLO CC(C)c1nnc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC000449406085 240181705 /nfs/dbraw/zinc/18/17/05/240181705.db2.gz SEEDICRVMYTACV-UHFFFAOYSA-N 1 2 317.393 3.250 20 5 DGBDLO Cn1cc[nH+]c1[C@H]1N(Cc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000449416828 240187854 /nfs/dbraw/zinc/18/78/54/240187854.db2.gz VMXNMGSCFNOTNR-CQSZACIVSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000450263513 240625504 /nfs/dbraw/zinc/62/55/04/240625504.db2.gz XQBUSMHJCQZJDG-GFCCVEGCSA-N 1 2 311.345 3.088 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc2ccccn12)C1CC1 ZINC000135242063 432107032 /nfs/dbraw/zinc/10/70/32/432107032.db2.gz WVLAHAGTRNHAIK-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc2ccccn12)C1CC1 ZINC000135242063 432107035 /nfs/dbraw/zinc/10/70/35/432107035.db2.gz WVLAHAGTRNHAIK-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO CCO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000451547033 241168785 /nfs/dbraw/zinc/16/87/85/241168785.db2.gz STKAMQVXPLLZPB-ZUZCIYMTSA-N 1 2 314.332 3.120 20 5 DGBDLO CCO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000451547033 241168788 /nfs/dbraw/zinc/16/87/88/241168788.db2.gz STKAMQVXPLLZPB-ZUZCIYMTSA-N 1 2 314.332 3.120 20 5 DGBDLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119846147 284153615 /nfs/dbraw/zinc/15/36/15/284153615.db2.gz WEJLJKRPEWIGBU-JTQLQIEISA-N 1 2 314.769 3.022 20 5 DGBDLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119846147 284153617 /nfs/dbraw/zinc/15/36/17/284153617.db2.gz WEJLJKRPEWIGBU-JTQLQIEISA-N 1 2 314.769 3.022 20 5 DGBDLO Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)[nH+]1 ZINC000121513612 284199403 /nfs/dbraw/zinc/19/94/03/284199403.db2.gz ULBCQWCSAHKTRE-UHFFFAOYSA-N 1 2 319.748 3.441 20 5 DGBDLO Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000121601089 284201480 /nfs/dbraw/zinc/20/14/80/284201480.db2.gz GHCYSQMASQWRNE-UHFFFAOYSA-N 1 2 317.370 3.337 20 5 DGBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000126088804 284293312 /nfs/dbraw/zinc/29/33/12/284293312.db2.gz WIJKGBPKAQYNHH-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000126088804 284293315 /nfs/dbraw/zinc/29/33/15/284293315.db2.gz WIJKGBPKAQYNHH-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO O=[N+]([O-])c1ccccc1CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000127818369 284352985 /nfs/dbraw/zinc/35/29/85/284352985.db2.gz IFNWRSIGRQIONO-MRXNPFEDSA-N 1 2 308.341 3.197 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1oc(CC)nc1C ZINC000494364248 246139386 /nfs/dbraw/zinc/13/93/86/246139386.db2.gz FBJCAOOQPRLOCC-UHFFFAOYSA-N 1 2 319.361 3.142 20 5 DGBDLO C[C@H]1CSCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285344176 218389549 /nfs/dbraw/zinc/38/95/49/218389549.db2.gz PLDFAGQVGAUARI-SECBINFHSA-N 1 2 302.346 3.058 20 5 DGBDLO C[C@H]1CSCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285344176 218389551 /nfs/dbraw/zinc/38/95/51/218389551.db2.gz PLDFAGQVGAUARI-SECBINFHSA-N 1 2 302.346 3.058 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000338685556 253333734 /nfs/dbraw/zinc/33/37/34/253333734.db2.gz NHWFVZBHIDYLNY-LBPRGKRZSA-N 1 2 316.361 3.098 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000338685555 253333802 /nfs/dbraw/zinc/33/38/02/253333802.db2.gz NHWFVZBHIDYLNY-GFCCVEGCSA-N 1 2 316.361 3.098 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc(F)ncc2F)C2CC2)cc1 ZINC000294591283 224106789 /nfs/dbraw/zinc/10/67/89/224106789.db2.gz RXMONFIOMMNEJC-UHFFFAOYSA-N 1 2 319.311 3.433 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(F)ncc2F)C2CC2)cc1 ZINC000294591283 224106792 /nfs/dbraw/zinc/10/67/92/224106792.db2.gz RXMONFIOMMNEJC-UHFFFAOYSA-N 1 2 319.311 3.433 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000413203291 285147805 /nfs/dbraw/zinc/14/78/05/285147805.db2.gz MLYPVMOLNPGFIN-UONOGXRCSA-N 1 2 313.357 3.006 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000342802511 254054654 /nfs/dbraw/zinc/05/46/54/254054654.db2.gz NGKGNUQBJSJBSC-NSHDSACASA-N 1 2 304.325 3.228 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1nc(C)cs1 ZINC000430215476 533136494 /nfs/dbraw/zinc/13/64/94/533136494.db2.gz CIDOLWJAKJAVLX-SNVBAGLBSA-N 1 2 307.375 3.219 20 5 DGBDLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000271578191 209030226 /nfs/dbraw/zinc/03/02/26/209030226.db2.gz WPSCGIUKTBQDDQ-WDEREUQCSA-N 1 2 303.366 3.248 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(F)c1 ZINC000290015140 221381197 /nfs/dbraw/zinc/38/11/97/221381197.db2.gz UTVSUTCGNOABCU-ZDUSSCGKSA-N 1 2 324.743 3.031 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(F)c1 ZINC000290015140 221381199 /nfs/dbraw/zinc/38/11/99/221381199.db2.gz UTVSUTCGNOABCU-ZDUSSCGKSA-N 1 2 324.743 3.031 20 5 DGBDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123154023 195550138 /nfs/dbraw/zinc/55/01/38/195550138.db2.gz ZSKJPKKLQLJZPG-UWVGGRQHSA-N 1 2 311.769 3.060 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000470183272 533380246 /nfs/dbraw/zinc/38/02/46/533380246.db2.gz MPPOYGYACFKDFU-LCYFTJDESA-N 1 2 320.389 3.272 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000470183272 533380248 /nfs/dbraw/zinc/38/02/48/533380248.db2.gz MPPOYGYACFKDFU-LCYFTJDESA-N 1 2 320.389 3.272 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000595105341 400108251 /nfs/dbraw/zinc/10/82/51/400108251.db2.gz DGJDGEJFVAIBNW-RYUDHWBXSA-N 1 2 318.377 3.139 20 5 DGBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000595295866 400121110 /nfs/dbraw/zinc/12/11/10/400121110.db2.gz UPRJEIWANSPZKP-GFCCVEGCSA-N 1 2 319.361 3.483 20 5 DGBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000595295866 400121112 /nfs/dbraw/zinc/12/11/12/400121112.db2.gz UPRJEIWANSPZKP-GFCCVEGCSA-N 1 2 319.361 3.483 20 5 DGBDLO CN1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000595307368 400123146 /nfs/dbraw/zinc/12/31/46/400123146.db2.gz UDEDKGPZMXKORP-UHFFFAOYSA-N 1 2 315.348 3.186 20 5 DGBDLO CN1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000595307368 400123147 /nfs/dbraw/zinc/12/31/47/400123147.db2.gz UDEDKGPZMXKORP-UHFFFAOYSA-N 1 2 315.348 3.186 20 5 DGBDLO Cc1ccnc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000091506108 400124248 /nfs/dbraw/zinc/12/42/48/400124248.db2.gz FUDCLJFWXBOVOJ-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000595398218 400141450 /nfs/dbraw/zinc/14/14/50/400141450.db2.gz NPJFCRFBEMOJQL-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000595398218 400141454 /nfs/dbraw/zinc/14/14/54/400141454.db2.gz NPJFCRFBEMOJQL-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO Cc1cc(N[C@@H]2CCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000609193698 400149734 /nfs/dbraw/zinc/14/97/34/400149734.db2.gz XHTZSCZTCRATPD-XHDPSFHLSA-N 1 2 312.373 3.383 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000600782972 400152131 /nfs/dbraw/zinc/15/21/31/400152131.db2.gz ATSQKEPNSGYSOI-UHFFFAOYSA-N 1 2 301.371 3.210 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000595488059 400166411 /nfs/dbraw/zinc/16/64/11/400166411.db2.gz CDYBKBPPSQPMHA-CVEARBPZSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000595488059 400166413 /nfs/dbraw/zinc/16/64/13/400166413.db2.gz CDYBKBPPSQPMHA-CVEARBPZSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000595488061 400166441 /nfs/dbraw/zinc/16/64/41/400166441.db2.gz CDYBKBPPSQPMHA-HZPDHXFCSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000595488061 400166444 /nfs/dbraw/zinc/16/64/44/400166444.db2.gz CDYBKBPPSQPMHA-HZPDHXFCSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000093335526 400239596 /nfs/dbraw/zinc/23/95/96/400239596.db2.gz HEVHFCPZGXHNCS-ZDUSSCGKSA-N 1 2 316.332 3.429 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000093335526 400239601 /nfs/dbraw/zinc/23/96/01/400239601.db2.gz HEVHFCPZGXHNCS-ZDUSSCGKSA-N 1 2 316.332 3.429 20 5 DGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595597143 400197186 /nfs/dbraw/zinc/19/71/86/400197186.db2.gz WESSGYZQHNPVGZ-LBPRGKRZSA-N 1 2 308.378 3.147 20 5 DGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595597143 400197191 /nfs/dbraw/zinc/19/71/91/400197191.db2.gz WESSGYZQHNPVGZ-LBPRGKRZSA-N 1 2 308.378 3.147 20 5 DGBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000610012703 400208054 /nfs/dbraw/zinc/20/80/54/400208054.db2.gz AMBYWRXIOSZZDP-LBPRGKRZSA-N 1 2 308.378 3.147 20 5 DGBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000610012703 400208058 /nfs/dbraw/zinc/20/80/58/400208058.db2.gz AMBYWRXIOSZZDP-LBPRGKRZSA-N 1 2 308.378 3.147 20 5 DGBDLO O=C1CCCC12CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000595806334 400265323 /nfs/dbraw/zinc/26/53/23/400265323.db2.gz LHIXSMICNMHYED-UHFFFAOYSA-N 1 2 306.337 3.069 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1COc1ccccc1-n1cc[nH+]c1 ZINC000610577048 400276006 /nfs/dbraw/zinc/27/60/06/400276006.db2.gz FZBYQDRDFMPCPL-UHFFFAOYSA-N 1 2 313.288 3.499 20 5 DGBDLO COc1c(C)c[nH+]c(CN(C)c2ccsc2[N+](=O)[O-])c1C ZINC000610575560 400276625 /nfs/dbraw/zinc/27/66/25/400276625.db2.gz KGUWWYADTUXDGW-UHFFFAOYSA-N 1 2 307.375 3.313 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585387 400279823 /nfs/dbraw/zinc/27/98/23/400279823.db2.gz MTLLFGYWEFINOU-BFVZDQMLSA-N 1 2 323.780 3.060 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585387 400279826 /nfs/dbraw/zinc/27/98/26/400279826.db2.gz MTLLFGYWEFINOU-BFVZDQMLSA-N 1 2 323.780 3.060 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595916830 400294563 /nfs/dbraw/zinc/29/45/63/400294563.db2.gz LUUQQVDYSFVXAN-JRPNMDOOSA-N 1 2 314.332 3.400 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595916830 400294564 /nfs/dbraw/zinc/29/45/64/400294564.db2.gz LUUQQVDYSFVXAN-JRPNMDOOSA-N 1 2 314.332 3.400 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595920478 400295410 /nfs/dbraw/zinc/29/54/10/400295410.db2.gz TXCMOLWIWXYDAB-HFAKWTLXSA-N 1 2 314.332 3.400 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595920478 400295412 /nfs/dbraw/zinc/29/54/12/400295412.db2.gz TXCMOLWIWXYDAB-HFAKWTLXSA-N 1 2 314.332 3.400 20 5 DGBDLO Cc1cc(NCC[NH+]2Cc3ccccc3C2)c(F)cc1[N+](=O)[O-] ZINC000589685912 400320428 /nfs/dbraw/zinc/32/04/28/400320428.db2.gz NZOUAFYITRDSTP-UHFFFAOYSA-N 1 2 315.348 3.470 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCOCC23CCCC3)ccc1[N+](=O)[O-] ZINC000617216718 400332112 /nfs/dbraw/zinc/33/21/12/400332112.db2.gz PSVFWDFSMPCYND-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO CCOc1cc(C[N@H+]2CCOCC23CCCC3)ccc1[N+](=O)[O-] ZINC000617216718 400332118 /nfs/dbraw/zinc/33/21/18/400332118.db2.gz PSVFWDFSMPCYND-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO COc1cc(NCCc2ccc(C)c[nH+]2)c([N+](=O)[O-])cc1C ZINC000596261430 400364809 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/nfs/dbraw/zinc/72/89/28/279728928.db2.gz FSRKVMXWYDRLOS-NHYWBVRUSA-N 1 2 304.325 3.018 20 5 DGBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000076342882 431543087 /nfs/dbraw/zinc/54/30/87/431543087.db2.gz XKCQAKFCUXNYJD-UHFFFAOYSA-N 1 2 319.386 3.035 20 5 DGBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000076342882 431543095 /nfs/dbraw/zinc/54/30/95/431543095.db2.gz XKCQAKFCUXNYJD-UHFFFAOYSA-N 1 2 319.386 3.035 20 5 DGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000014426817 431589812 /nfs/dbraw/zinc/58/98/12/431589812.db2.gz ARIDDUMETCTCMO-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO Cc1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000119200417 431660351 /nfs/dbraw/zinc/66/03/51/431660351.db2.gz MWXPAJLHAQHWFF-GFCCVEGCSA-N 1 2 314.345 3.489 20 5 DGBDLO Cc1c(C[N@@H+]2CCO[C@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000121270038 431764904 /nfs/dbraw/zinc/76/49/04/431764904.db2.gz VPQSNHCQVWBDEG-INIZCTEOSA-N 1 2 302.330 3.070 20 5 DGBDLO Cc1c(C[N@H+]2CCO[C@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000121270038 431764911 /nfs/dbraw/zinc/76/49/11/431764911.db2.gz VPQSNHCQVWBDEG-INIZCTEOSA-N 1 2 302.330 3.070 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCc4ccccc4C3)nc2c1 ZINC000083126852 431807209 /nfs/dbraw/zinc/80/72/09/431807209.db2.gz TUOZWMNRLZOPJT-UHFFFAOYSA-N 1 2 309.325 3.294 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCc4ccccc4C3)nc2c1 ZINC000083126852 431807212 /nfs/dbraw/zinc/80/72/12/431807212.db2.gz TUOZWMNRLZOPJT-UHFFFAOYSA-N 1 2 309.325 3.294 20 5 DGBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000440966090 281245647 /nfs/dbraw/zinc/24/56/47/281245647.db2.gz QPUGSDZZUDNSQC-HUUCEWRRSA-N 1 2 308.353 3.266 20 5 DGBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000440966090 281245649 /nfs/dbraw/zinc/24/56/49/281245649.db2.gz QPUGSDZZUDNSQC-HUUCEWRRSA-N 1 2 308.353 3.266 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000183261583 432276805 /nfs/dbraw/zinc/27/68/05/432276805.db2.gz GOGJFMMPAYUIJR-NSHDSACASA-N 1 2 322.796 3.483 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000183261583 432276808 /nfs/dbraw/zinc/27/68/08/432276808.db2.gz GOGJFMMPAYUIJR-NSHDSACASA-N 1 2 322.796 3.483 20 5 DGBDLO CCCCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060783588 432000379 /nfs/dbraw/zinc/00/03/79/432000379.db2.gz RECBDGDCXGJQSQ-UHFFFAOYSA-N 1 2 316.361 3.043 20 5 DGBDLO C[N@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183659902 432314539 /nfs/dbraw/zinc/31/45/39/432314539.db2.gz ZUIJAQHWSDQWGQ-UHFFFAOYSA-N 1 2 323.299 3.223 20 5 DGBDLO C[N@@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183659902 432314542 /nfs/dbraw/zinc/31/45/42/432314542.db2.gz ZUIJAQHWSDQWGQ-UHFFFAOYSA-N 1 2 323.299 3.223 20 5 DGBDLO COc1cc(C[N@H+](C)[C@H](C)c2ccncc2)c([N+](=O)[O-])cc1F ZINC000184288236 432374807 /nfs/dbraw/zinc/37/48/07/432374807.db2.gz XSKSANKKMMKLTO-LLVKDONJSA-N 1 2 319.336 3.331 20 5 DGBDLO COc1cc(C[N@@H+](C)[C@H](C)c2ccncc2)c([N+](=O)[O-])cc1F ZINC000184288236 432374810 /nfs/dbraw/zinc/37/48/10/432374810.db2.gz XSKSANKKMMKLTO-LLVKDONJSA-N 1 2 319.336 3.331 20 5 DGBDLO COc1cc(C[N@H+](C)[C@H](C)c2cccnc2)c([N+](=O)[O-])cc1F ZINC000184288350 432376631 /nfs/dbraw/zinc/37/66/31/432376631.db2.gz ALFHRVZRTLMWAB-LLVKDONJSA-N 1 2 319.336 3.331 20 5 DGBDLO COc1cc(C[N@@H+](C)[C@H](C)c2cccnc2)c([N+](=O)[O-])cc1F ZINC000184288350 432376638 /nfs/dbraw/zinc/37/66/38/432376638.db2.gz ALFHRVZRTLMWAB-LLVKDONJSA-N 1 2 319.336 3.331 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000175102172 432396873 /nfs/dbraw/zinc/39/68/73/432396873.db2.gz GNTQEAPLGWOKKM-DOTOQJQBSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000175102172 432396879 /nfs/dbraw/zinc/39/68/79/432396879.db2.gz GNTQEAPLGWOKKM-DOTOQJQBSA-N 1 2 320.389 3.137 20 5 DGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000272323453 432480682 /nfs/dbraw/zinc/48/06/82/432480682.db2.gz QQPRLUTXZUYEDH-OAHLLOKOSA-N 1 2 322.336 3.367 20 5 DGBDLO O=[N+]([O-])c1ccccc1Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000156706522 432604927 /nfs/dbraw/zinc/60/49/27/432604927.db2.gz OSJOGVNQDBKZKV-UHFFFAOYSA-N 1 2 322.246 3.407 20 5 DGBDLO COc1ccc(C[NH2+][C@@H](C)c2csc(C)n2)cc1[N+](=O)[O-] ZINC000264557360 432659172 /nfs/dbraw/zinc/65/91/72/432659172.db2.gz DWYSXBJDBCTGQO-VIFPVBQESA-N 1 2 307.375 3.219 20 5 DGBDLO Cc1ccc([C@@H](C)NC(=O)c2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000177875480 432670369 /nfs/dbraw/zinc/67/03/69/432670369.db2.gz OEJICRCXTPAZTK-GFCCVEGCSA-N 1 2 324.340 3.042 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H]1C ZINC000245440413 432831585 /nfs/dbraw/zinc/83/15/85/432831585.db2.gz GLTVKRDTBHMREL-NXEZZACHSA-N 1 2 311.769 3.060 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H]1C ZINC000245440413 432831589 /nfs/dbraw/zinc/83/15/89/432831589.db2.gz GLTVKRDTBHMREL-NXEZZACHSA-N 1 2 311.769 3.060 20 5 DGBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000266773208 432786320 /nfs/dbraw/zinc/78/63/20/432786320.db2.gz BFPJXOYCYPNTEX-RYUDHWBXSA-N 1 2 311.345 3.049 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1[C@H]1CCCO1 ZINC000289786097 432975484 /nfs/dbraw/zinc/97/54/84/432975484.db2.gz MYONPXGHYNXPJZ-HUUCEWRRSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1[C@H]1CCCO1 ZINC000289786097 432975490 /nfs/dbraw/zinc/97/54/90/432975490.db2.gz MYONPXGHYNXPJZ-HUUCEWRRSA-N 1 2 308.353 3.123 20 5 DGBDLO COC(=O)c1ccc([C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000298265402 433074894 /nfs/dbraw/zinc/07/48/94/433074894.db2.gz DBQMSECCHIYZBS-LLVKDONJSA-N 1 2 318.329 3.167 20 5 DGBDLO COC(=O)c1ccc([C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000298265402 433074901 /nfs/dbraw/zinc/07/49/01/433074901.db2.gz DBQMSECCHIYZBS-LLVKDONJSA-N 1 2 318.329 3.167 20 5 DGBDLO CCOc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000341564468 433139088 /nfs/dbraw/zinc/13/90/88/433139088.db2.gz WHKYJWDFDINUPU-UHFFFAOYSA-N 1 2 321.764 3.332 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccsc3Cl)nc2c1 ZINC000446829437 433110980 /nfs/dbraw/zinc/11/09/80/433110980.db2.gz HUMOGGSGCJUEJR-UHFFFAOYSA-N 1 2 322.777 3.476 20 5 DGBDLO Cn1cc(CNc2cccc[nH+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157439879 292745812 /nfs/dbraw/zinc/74/58/12/292745812.db2.gz SLWCACKLTLYHPN-UHFFFAOYSA-N 1 2 309.329 3.002 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(C(F)F)no2)cc1[N+](=O)[O-] ZINC000425464742 433253338 /nfs/dbraw/zinc/25/33/38/433253338.db2.gz YCTFKIZDGXNTLV-QMMMGPOBSA-N 1 2 312.276 3.075 20 5 DGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC000339194432 433428889 /nfs/dbraw/zinc/42/88/89/433428889.db2.gz UTGHIZCGNOILJS-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO Cc1ccc2c(c1)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC000339194432 433428897 /nfs/dbraw/zinc/42/88/97/433428897.db2.gz UTGHIZCGNOILJS-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000301563959 433613491 /nfs/dbraw/zinc/61/34/91/433613491.db2.gz VOMPXWJFNJSPEH-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DGBDLO Cc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc(C(C)C)[nH+]1 ZINC000301562659 433614702 /nfs/dbraw/zinc/61/47/02/433614702.db2.gz KYPYFNKIHJQJGS-UHFFFAOYSA-N 1 2 312.373 3.379 20 5 DGBDLO CCc1nocc1C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000339607271 433681252 /nfs/dbraw/zinc/68/12/52/433681252.db2.gz PHUYNESUBBGGSL-UHFFFAOYSA-N 1 2 309.753 3.431 20 5 DGBDLO CCc1nocc1C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000339607271 433681263 /nfs/dbraw/zinc/68/12/63/433681263.db2.gz PHUYNESUBBGGSL-UHFFFAOYSA-N 1 2 309.753 3.431 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(NCCc2[nH]c3ccccc3[nH+]2)c(F)c1 ZINC000301775628 433716129 /nfs/dbraw/zinc/71/61/29/433716129.db2.gz HICRLSMQHGDRLL-UHFFFAOYSA-N 1 2 318.283 3.404 20 5 DGBDLO CCOc1cccc(NCCc2cc[nH+]cc2C)c1[N+](=O)[O-] ZINC000302168410 433816783 /nfs/dbraw/zinc/81/67/83/433816783.db2.gz SONLHMMSWKTGPV-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000285448182 433950412 /nfs/dbraw/zinc/95/04/12/433950412.db2.gz XTYVIFGZACRCQJ-VIFPVBQESA-N 1 2 302.346 3.200 20 5 DGBDLO C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000285448182 433950417 /nfs/dbraw/zinc/95/04/17/433950417.db2.gz XTYVIFGZACRCQJ-VIFPVBQESA-N 1 2 302.346 3.200 20 5 DGBDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285464861 433955348 /nfs/dbraw/zinc/95/53/48/433955348.db2.gz AKXIXRLCDCIONL-AWEZNQCLSA-N 1 2 302.334 3.013 20 5 DGBDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285464861 433955354 /nfs/dbraw/zinc/95/53/54/433955354.db2.gz AKXIXRLCDCIONL-AWEZNQCLSA-N 1 2 302.334 3.013 20 5 DGBDLO Cc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293948257 433937130 /nfs/dbraw/zinc/93/71/30/433937130.db2.gz IOZHZLXCHRKJNT-DLBZAZTESA-N 1 2 302.374 3.047 20 5 DGBDLO Cc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293948257 433937141 /nfs/dbraw/zinc/93/71/41/433937141.db2.gz IOZHZLXCHRKJNT-DLBZAZTESA-N 1 2 302.374 3.047 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449701082 293948708 /nfs/dbraw/zinc/94/87/08/293948708.db2.gz VYDNRLDZRONJFL-UHFFFAOYSA-N 1 2 317.345 3.149 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000378238883 434118455 /nfs/dbraw/zinc/11/84/55/434118455.db2.gz ZNPXQTPALRDWOF-SNVBAGLBSA-N 1 2 321.768 3.138 20 5 DGBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505591274 294243925 /nfs/dbraw/zinc/24/39/25/294243925.db2.gz RLDSHTUHUPMYEF-UHFFFAOYSA-N 1 2 318.304 3.095 20 5 DGBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505591274 294243926 /nfs/dbraw/zinc/24/39/26/294243926.db2.gz RLDSHTUHUPMYEF-UHFFFAOYSA-N 1 2 318.304 3.095 20 5 DGBDLO Cc1ccc[nH+]c1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000295072380 434177410 /nfs/dbraw/zinc/17/74/10/434177410.db2.gz WNOVLHBBUUICMM-UHFFFAOYSA-N 1 2 306.753 3.391 20 5 DGBDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000287490728 434375522 /nfs/dbraw/zinc/37/55/22/434375522.db2.gz KWBNIUJIPXECAO-UHFFFAOYSA-N 1 2 314.345 3.271 20 5 DGBDLO C[C@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])c2[nH+]ccn21 ZINC000450820049 434422751 /nfs/dbraw/zinc/42/27/51/434422751.db2.gz MVHAHRUOVXXOAP-GWCFXTLKSA-N 1 2 309.329 3.457 20 5 DGBDLO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2[nH+]ccn21 ZINC000450828325 434429032 /nfs/dbraw/zinc/42/90/32/434429032.db2.gz JYHWQHWABLCIDI-IINYFYTJSA-N 1 2 309.329 3.457 20 5 DGBDLO CCC(=O)c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000366859357 434526971 /nfs/dbraw/zinc/52/69/71/434526971.db2.gz UELPOLOWIPAIDU-ZDUSSCGKSA-N 1 2 314.345 3.252 20 5 DGBDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339063595 295108707 /nfs/dbraw/zinc/10/87/07/295108707.db2.gz BRVTXOGOJAUYJD-GFCCVEGCSA-N 1 2 316.357 3.468 20 5 DGBDLO COC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000459578628 434615808 /nfs/dbraw/zinc/61/58/08/434615808.db2.gz IPQCVPKLGKDDQX-UHFFFAOYSA-N 1 2 322.748 3.339 20 5 DGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452757462 434705755 /nfs/dbraw/zinc/70/57/55/434705755.db2.gz QBKBTQJAINTXPP-UHFFFAOYSA-N 1 2 320.736 3.033 20 5 DGBDLO CC(C)c1ncc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000440474399 434706346 /nfs/dbraw/zinc/70/63/46/434706346.db2.gz QRWNSMVTMTTYFU-UHFFFAOYSA-N 1 2 300.362 3.140 20 5 DGBDLO CC(C)c1ncc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000440474399 434706351 /nfs/dbraw/zinc/70/63/51/434706351.db2.gz QRWNSMVTMTTYFU-UHFFFAOYSA-N 1 2 300.362 3.140 20 5 DGBDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851968 434711891 /nfs/dbraw/zinc/71/18/91/434711891.db2.gz SZHOVQRRKLBKIN-RISCZKNCSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851968 434711894 /nfs/dbraw/zinc/71/18/94/434711894.db2.gz SZHOVQRRKLBKIN-RISCZKNCSA-N 1 2 318.352 3.051 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000360871400 434716222 /nfs/dbraw/zinc/71/62/22/434716222.db2.gz LRHFZVOKJUJYPH-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO Cc1nn(Cc2c(C)[nH+]c3ccccn32)c2ccc([N+](=O)[O-])cc12 ZINC000440621672 434725599 /nfs/dbraw/zinc/72/55/99/434725599.db2.gz YZOBIJPZOQKMGR-UHFFFAOYSA-N 1 2 321.340 3.257 20 5 DGBDLO COc1cc(NC[C@H]2CCCn3cc(C)[nH+]c32)ccc1[N+](=O)[O-] ZINC000361190887 434827111 /nfs/dbraw/zinc/82/71/11/434827111.db2.gz XXFMLAQMPJDMMY-GFCCVEGCSA-N 1 2 316.361 3.098 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000573338075 434891769 /nfs/dbraw/zinc/89/17/69/434891769.db2.gz CIEPBEFVJOYJIR-PRHODGIISA-N 1 2 304.375 3.093 20 5 DGBDLO Cn1c2cccc(Cl)c2[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000464338343 434983481 /nfs/dbraw/zinc/98/34/81/434983481.db2.gz QCRZUAKLADVQGM-UHFFFAOYSA-N 1 2 316.748 3.747 20 5 DGBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000492537117 435006515 /nfs/dbraw/zinc/00/65/15/435006515.db2.gz QFJVOLJUQRGWRJ-FPLPWBNLSA-N 1 2 314.345 3.080 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC2(CCC2)O1 ZINC000578354044 435077404 /nfs/dbraw/zinc/07/74/04/435077404.db2.gz HWYGHRJPTLVYMF-NSHDSACASA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC2(CCC2)O1 ZINC000578354044 435077409 /nfs/dbraw/zinc/07/74/09/435077409.db2.gz HWYGHRJPTLVYMF-NSHDSACASA-N 1 2 310.781 3.392 20 5 DGBDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000467513590 435124330 /nfs/dbraw/zinc/12/43/30/435124330.db2.gz NTJNZUKUZMSNAE-ZDUSSCGKSA-N 1 2 322.405 3.492 20 5 DGBDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000467513590 435124331 /nfs/dbraw/zinc/12/43/31/435124331.db2.gz NTJNZUKUZMSNAE-ZDUSSCGKSA-N 1 2 322.405 3.492 20 5 DGBDLO Cn1c2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2[nH+]c1C1CC1 ZINC000579859338 435188409 /nfs/dbraw/zinc/18/84/09/435188409.db2.gz PATQVOYBOFUZIC-UHFFFAOYSA-N 1 2 323.356 3.366 20 5 DGBDLO CCOC(=O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)CC ZINC000475145935 435180420 /nfs/dbraw/zinc/18/04/20/435180420.db2.gz ZHUHIYCZORPMQH-BILPLUFOSA-N 1 2 320.389 3.175 20 5 DGBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000539825940 435574408 /nfs/dbraw/zinc/57/44/08/435574408.db2.gz YSBLMKLCMVCUBK-CYBMUJFWSA-N 1 2 322.405 3.490 20 5 DGBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000539825940 435574412 /nfs/dbraw/zinc/57/44/12/435574412.db2.gz YSBLMKLCMVCUBK-CYBMUJFWSA-N 1 2 322.405 3.490 20 5 DGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000520616922 435760864 /nfs/dbraw/zinc/76/08/64/435760864.db2.gz BSACSSNLOCPMCB-UHFFFAOYSA-N 1 2 314.326 3.299 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268241839 302040619 /nfs/dbraw/zinc/04/06/19/302040619.db2.gz HZCQCUYUIREKMK-WFASDCNBSA-N 1 2 300.362 3.187 20 5 DGBDLO Cc1c[nH+]cc(CCc2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c1 ZINC000555609954 314730341 /nfs/dbraw/zinc/73/03/41/314730341.db2.gz WZWKNAGVRNSJCG-UHFFFAOYSA-N 1 2 324.340 3.442 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])c(OCc2cn3cccc(C)c3[nH+]2)n1 ZINC000564691775 315192041 /nfs/dbraw/zinc/19/20/41/315192041.db2.gz TZSMZZYDFWTUSI-UHFFFAOYSA-N 1 2 312.329 3.142 20 5 DGBDLO COc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000155927631 533704663 /nfs/dbraw/zinc/70/46/63/533704663.db2.gz TXKYNSUXKUCZIX-UHFFFAOYSA-N 1 2 324.340 3.401 20 5 DGBDLO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181836386 323271760 /nfs/dbraw/zinc/27/17/60/323271760.db2.gz FNWCIWKQBOMCTQ-NSHDSACASA-N 1 2 318.329 3.134 20 5 DGBDLO C[C@H]1C[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413215336 534084869 /nfs/dbraw/zinc/08/48/69/534084869.db2.gz ABIWVKBCWOPQKQ-RYUDHWBXSA-N 1 2 301.346 3.370 20 5 DGBDLO Cc1ccn2cc(CNc3c4c(ccc3[N+](=O)[O-])NCC4)[nH+]c2c1 ZINC000430518518 534366416 /nfs/dbraw/zinc/36/64/16/534366416.db2.gz MHLGDOZDAJNZKQ-UHFFFAOYSA-N 1 2 323.356 3.131 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CCCC[C@H]3O)c2c1 ZINC000413153128 534885375 /nfs/dbraw/zinc/88/53/75/534885375.db2.gz JYCFZSDEDUUICP-SWLSCSKDSA-N 1 2 301.346 3.106 20 5 DGBDLO CC(C)[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000293035298 528748344 /nfs/dbraw/zinc/74/83/44/528748344.db2.gz GNNCCJBLDXOTNJ-HNNXBMFYSA-N 1 2 314.332 3.120 20 5 DGBDLO CC(C)[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000293035298 528748347 /nfs/dbraw/zinc/74/83/47/528748347.db2.gz GNNCCJBLDXOTNJ-HNNXBMFYSA-N 1 2 314.332 3.120 20 5 DGBDLO CCC(CC)[C@@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413151390 528833642 /nfs/dbraw/zinc/83/36/42/528833642.db2.gz ZAGOVAAISGLSPI-HNNXBMFYSA-N 1 2 303.362 3.352 20 5 DGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000031808883 545668575 /nfs/dbraw/zinc/66/85/75/545668575.db2.gz XRZKXXXYFZPKMB-UHFFFAOYSA-N 1 2 322.324 3.057 20 5 DGBDLO CC(C)Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000264578252 546342429 /nfs/dbraw/zinc/34/24/29/546342429.db2.gz GCVOTRYTFXAWBH-UHFFFAOYSA-N 1 2 313.317 3.029 20 5 DGBDLO Cc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000734847500 574678677 /nfs/dbraw/zinc/67/86/77/574678677.db2.gz LHQNCUSJVTWGDF-AWEZNQCLSA-N 1 2 322.311 3.005 20 5 DGBDLO Cc1[nH+]c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccn12 ZINC000741446812 574958039 /nfs/dbraw/zinc/95/80/39/574958039.db2.gz AVJFRJRLCIXQII-UHFFFAOYSA-N 1 2 321.296 3.268 20 5 DGBDLO Cc1[nH+]c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccn12 ZINC000741447285 574958155 /nfs/dbraw/zinc/95/81/55/574958155.db2.gz LTPHBCWOVMEYHC-UHFFFAOYSA-N 1 2 321.296 3.268 20 5 DGBDLO Cc1ccc([C@H]2CCCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000742156195 574982687 /nfs/dbraw/zinc/98/26/87/574982687.db2.gz FQGKWOYTRGXKRS-MRXNPFEDSA-N 1 2 300.362 3.284 20 5 DGBDLO Cc1ccc([C@H]2CCCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000742156195 574982689 /nfs/dbraw/zinc/98/26/89/574982689.db2.gz FQGKWOYTRGXKRS-MRXNPFEDSA-N 1 2 300.362 3.284 20 5 DGBDLO CC(C)(C)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000744324951 575335655 /nfs/dbraw/zinc/33/56/55/575335655.db2.gz XVGPCLTYLAESDO-UHFFFAOYSA-N 1 2 317.345 3.374 20 5 DGBDLO COc1c(O)ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000891401963 617792988 /nfs/dbraw/zinc/79/29/88/617792988.db2.gz MAIFDZYHLLALMZ-AWEZNQCLSA-N 1 2 314.341 3.256 20 5 DGBDLO COc1c(O)ccc(C[N@H+]2CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000891401963 617792990 /nfs/dbraw/zinc/79/29/90/617792990.db2.gz MAIFDZYHLLALMZ-AWEZNQCLSA-N 1 2 314.341 3.256 20 5 DGBDLO C[N@H+](Cc1cnn(CC2CCC2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000891622629 617855622 /nfs/dbraw/zinc/85/56/22/617855622.db2.gz ZNNTZPFFKPPUCP-UHFFFAOYSA-N 1 2 314.389 3.223 20 5 DGBDLO C[N@@H+](Cc1cnn(CC2CCC2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000891622629 617855626 /nfs/dbraw/zinc/85/56/26/617855626.db2.gz ZNNTZPFFKPPUCP-UHFFFAOYSA-N 1 2 314.389 3.223 20 5 DGBDLO Cc1cccc(NCc2nc(C[NH+](C)C)cs2)c1[N+](=O)[O-] ZINC000895480623 618790488 /nfs/dbraw/zinc/79/04/88/618790488.db2.gz KRUIAXLKRLWJES-UHFFFAOYSA-N 1 2 306.391 3.033 20 5 DGBDLO CC[C@@H]([NH2+][C@H](C)c1nn(CC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000925231058 619087021 /nfs/dbraw/zinc/08/70/21/619087021.db2.gz RITMDYVVOQKCHQ-IAQYHMDHSA-N 1 2 317.393 3.317 20 5 DGBDLO COc1cc([C@@H](C)[NH2+]Cc2ncc(C)s2)cc([N+](=O)[O-])c1 ZINC000903104997 619717347 /nfs/dbraw/zinc/71/73/47/619717347.db2.gz ZOZPRBVWDFAKLD-SNVBAGLBSA-N 1 2 307.375 3.219 20 5 DGBDLO Cc1cc(C)c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000906314428 620084673 /nfs/dbraw/zinc/08/46/73/620084673.db2.gz BWMHFVUTPXBUEJ-LBPRGKRZSA-N 1 2 313.357 3.406 20 5 DGBDLO CN(C)c1cc(CSCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000762476907 620540545 /nfs/dbraw/zinc/54/05/45/620540545.db2.gz INSCNNAJPYRNFK-UHFFFAOYSA-N 1 2 303.387 3.489 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921549667 620907080 /nfs/dbraw/zinc/90/70/80/620907080.db2.gz LQXNNVJOHVQCAS-UHFFFAOYSA-N 1 2 306.753 3.139 20 5 DGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000839194286 621347346 /nfs/dbraw/zinc/34/73/46/621347346.db2.gz JUYWAYFAGSTQMY-INIZCTEOSA-N 1 2 318.760 3.297 20 5 DGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000839194286 621347351 /nfs/dbraw/zinc/34/73/51/621347351.db2.gz JUYWAYFAGSTQMY-INIZCTEOSA-N 1 2 318.760 3.297 20 5 DGBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865622313 621964461 /nfs/dbraw/zinc/96/44/61/621964461.db2.gz SDSORCLDFLSEKH-UHFFFAOYSA-N 1 2 310.304 3.255 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)nc2c1 ZINC000761040432 621980720 /nfs/dbraw/zinc/98/07/20/621980720.db2.gz HROFGHDFIJBBOG-QMMMGPOBSA-N 1 2 315.251 3.120 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](C(F)(F)F)C3)nc2c1 ZINC000761040432 621980724 /nfs/dbraw/zinc/98/07/24/621980724.db2.gz HROFGHDFIJBBOG-QMMMGPOBSA-N 1 2 315.251 3.120 20 5 DGBDLO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000766840723 622356092 /nfs/dbraw/zinc/35/60/92/622356092.db2.gz HYJNSOFYIKVOGJ-SECBINFHSA-N 1 2 322.258 3.127 20 5 DGBDLO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000766840723 622356094 /nfs/dbraw/zinc/35/60/94/622356094.db2.gz HYJNSOFYIKVOGJ-SECBINFHSA-N 1 2 322.258 3.127 20 5 DGBDLO COc1cc(F)c([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)c1 ZINC000771238565 622731021 /nfs/dbraw/zinc/73/10/21/622731021.db2.gz MABCDPCVPIBDOX-UHFFFAOYSA-N 1 2 316.292 3.002 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(C)no1 ZINC000872033793 622765058 /nfs/dbraw/zinc/76/50/58/622765058.db2.gz JPEOCJQMGPJAOG-JTQLQIEISA-N 1 2 307.375 3.464 20 5 DGBDLO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872095992 622803369 /nfs/dbraw/zinc/80/33/69/622803369.db2.gz XJSQTQSHUIHCQU-JQWIXIFHSA-N 1 2 304.325 3.116 20 5 DGBDLO Cc1c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877554577 623938818 /nfs/dbraw/zinc/93/88/18/623938818.db2.gz KOLDXCPYVFUGNC-IAGOWNOFSA-N 1 2 302.374 3.047 20 5 DGBDLO Cc1c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877554577 623938824 /nfs/dbraw/zinc/93/88/24/623938824.db2.gz KOLDXCPYVFUGNC-IAGOWNOFSA-N 1 2 302.374 3.047 20 5 DGBDLO Cc1c(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877554579 623939067 /nfs/dbraw/zinc/93/90/67/623939067.db2.gz KOLDXCPYVFUGNC-IRXDYDNUSA-N 1 2 302.374 3.047 20 5 DGBDLO Cc1c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877554579 623939072 /nfs/dbraw/zinc/93/90/72/623939072.db2.gz KOLDXCPYVFUGNC-IRXDYDNUSA-N 1 2 302.374 3.047 20 5 DGBDLO Cc1c(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877554581 623939083 /nfs/dbraw/zinc/93/90/83/623939083.db2.gz KOLDXCPYVFUGNC-SJORKVTESA-N 1 2 302.374 3.047 20 5 DGBDLO Cc1c(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877554581 623939089 /nfs/dbraw/zinc/93/90/89/623939089.db2.gz KOLDXCPYVFUGNC-SJORKVTESA-N 1 2 302.374 3.047 20 5 DGBDLO Cc1c(CO[NH+]=C(N)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000783173779 624319782 /nfs/dbraw/zinc/31/97/82/624319782.db2.gz PLRNVKOIYGYWNI-UHFFFAOYSA-N 1 2 317.320 3.283 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878877846 624378265 /nfs/dbraw/zinc/37/82/65/624378265.db2.gz KPNMISDWYJXDDH-CYBMUJFWSA-N 1 2 306.753 3.308 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878877846 624378271 /nfs/dbraw/zinc/37/82/71/624378271.db2.gz KPNMISDWYJXDDH-CYBMUJFWSA-N 1 2 306.753 3.308 20 5 DGBDLO CC(=CC(=O)Nc1cc(C)[nH+]cc1C)c1ccc([N+](=O)[O-])cc1 ZINC000784099169 624437495 /nfs/dbraw/zinc/43/74/95/624437495.db2.gz YZUQHTDYYHFBDE-DHZHZOJOSA-N 1 2 311.341 3.071 20 5 DGBDLO CC1=CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000797822776 626171220 /nfs/dbraw/zinc/17/12/20/626171220.db2.gz RMTDSHNIHGZDID-UHFFFAOYSA-N 1 2 305.359 3.481 20 5 DGBDLO CC1=CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000797822776 626171222 /nfs/dbraw/zinc/17/12/22/626171222.db2.gz RMTDSHNIHGZDID-UHFFFAOYSA-N 1 2 305.359 3.481 20 5 DGBDLO Cc1c([C@H](C)[NH2+]C2(c3ncccn3)CCC2)cccc1[N+](=O)[O-] ZINC000883314099 626642906 /nfs/dbraw/zinc/64/29/06/626642906.db2.gz VPANHUBCISILAT-ZDUSSCGKSA-N 1 2 312.373 3.423 20 5 DGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cn3cc(Cl)cn3)C2)cc1 ZINC000840124252 626776867 /nfs/dbraw/zinc/77/68/67/626776867.db2.gz IPGRGUOOMKEPTA-CYBMUJFWSA-N 1 2 320.780 3.282 20 5 DGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cn3cc(Cl)cn3)C2)cc1 ZINC000840124252 626776868 /nfs/dbraw/zinc/77/68/68/626776868.db2.gz IPGRGUOOMKEPTA-CYBMUJFWSA-N 1 2 320.780 3.282 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000817366697 627890495 /nfs/dbraw/zinc/89/04/95/627890495.db2.gz YFXCVXUVEMPNPC-NSHDSACASA-N 1 2 320.315 3.030 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000817366697 627890497 /nfs/dbraw/zinc/89/04/97/627890497.db2.gz YFXCVXUVEMPNPC-NSHDSACASA-N 1 2 320.315 3.030 20 5 DGBDLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000926492516 627903958 /nfs/dbraw/zinc/90/39/58/627903958.db2.gz CMVGLOZZHZALNF-RYUDHWBXSA-N 1 2 303.366 3.179 20 5 DGBDLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000926890354 627972389 /nfs/dbraw/zinc/97/23/89/627972389.db2.gz CMVGLOZZHZALNF-NEPJUHHUSA-N 1 2 303.366 3.179 20 5 DGBDLO C[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000844727361 630815858 /nfs/dbraw/zinc/81/58/58/630815858.db2.gz GNDIRVIYPYASJC-NSHDSACASA-N 1 2 320.780 3.064 20 5 DGBDLO C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000844727361 630815862 /nfs/dbraw/zinc/81/58/62/630815862.db2.gz GNDIRVIYPYASJC-NSHDSACASA-N 1 2 320.780 3.064 20 5 DGBDLO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000844727360 630816072 /nfs/dbraw/zinc/81/60/72/630816072.db2.gz GNDIRVIYPYASJC-LLVKDONJSA-N 1 2 320.780 3.064 20 5 DGBDLO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000844727360 630816079 /nfs/dbraw/zinc/81/60/79/630816079.db2.gz GNDIRVIYPYASJC-LLVKDONJSA-N 1 2 320.780 3.064 20 5 DGBDLO CC[N@H+](CCc1ccccn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000795940896 661180858 /nfs/dbraw/zinc/18/08/58/661180858.db2.gz WPVMHEHCHPWERR-UHFFFAOYSA-N 1 2 321.327 3.333 20 5 DGBDLO CC[N@@H+](CCc1ccccn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000795940896 661180860 /nfs/dbraw/zinc/18/08/60/661180860.db2.gz WPVMHEHCHPWERR-UHFFFAOYSA-N 1 2 321.327 3.333 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2ncco2)CC1 ZINC000931449150 661477072 /nfs/dbraw/zinc/47/70/72/661477072.db2.gz PWNFLBYRGRORCV-UHFFFAOYSA-N 1 2 305.309 3.102 20 5 DGBDLO COc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1C ZINC000932568377 661580793 /nfs/dbraw/zinc/58/07/93/661580793.db2.gz APJPKDYUDJTQGO-JTQLQIEISA-N 1 2 305.334 3.059 20 5 DGBDLO CCn1c[nH+]c2c1CCN([C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000933260495 661626591 /nfs/dbraw/zinc/62/65/91/661626591.db2.gz VREOFSVOUMEDOD-CYBMUJFWSA-N 1 2 314.389 3.239 20 5 DGBDLO O=[N+]([O-])c1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)c2ccccc21 ZINC001333910851 1178694249 /nfs/dbraw/zinc/69/42/49/1178694249.db2.gz ALYDHCYIYXFSRT-UHFFFAOYSA-N 1 2 323.356 3.250 20 5 DGBDLO Cc1cc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc([N+](=O)[O-])c1 ZINC001346655393 1179731220 /nfs/dbraw/zinc/73/12/20/1179731220.db2.gz FKMXTVLCMPYGHE-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO Cc1cc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc(C)[nH+]1 ZINC001451738649 1182274331 /nfs/dbraw/zinc/27/43/31/1182274331.db2.gz YGGLUWVCPRSNQN-UHFFFAOYSA-N 1 2 324.340 3.018 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001458644480 1182545909 /nfs/dbraw/zinc/54/59/09/1182545909.db2.gz RASFUHNQOISFBB-UHFFFAOYSA-N 1 2 306.753 3.462 20 5 DGBDLO Cc1cccnc1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001460939306 1182742817 /nfs/dbraw/zinc/74/28/17/1182742817.db2.gz SONKIOCJVZBSKA-LLVKDONJSA-N 1 2 312.329 3.290 20 5 DGBDLO CCCC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC001462060511 1182903792 /nfs/dbraw/zinc/90/37/92/1182903792.db2.gz NHBINTFHAWGRCB-ZFWWWQNUSA-N 1 2 322.405 3.237 20 5 DGBDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC001653981495 1195764495 /nfs/dbraw/zinc/76/44/95/1195764495.db2.gz XFSOYWQGDHWLMS-QPUJVOFHSA-N 1 2 319.188 3.104 20 5 DGBDLO Cc1[nH]c(CNc2nc3ccc([N+](=O)[O-])cc3s2)[nH+]c1C ZINC001612950645 1193464687 /nfs/dbraw/zinc/46/46/87/1193464687.db2.gz UDXMKXVQXMQARU-UHFFFAOYSA-N 1 2 303.347 3.157 20 5 DGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001528021002 1187463248 /nfs/dbraw/zinc/46/32/48/1187463248.db2.gz HTRAKJCUBOLZJM-UHFFFAOYSA-N 1 2 324.340 3.366 20 5 DGBDLO COc1cc(Nc2ccc(N(C)C)[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC001559061386 1189167039 /nfs/dbraw/zinc/16/70/39/1189167039.db2.gz GYBLNZQHLVXNKJ-UHFFFAOYSA-N 1 2 322.752 3.461 20 5 DGBDLO Cc1c(C[NH2+][C@H](CO)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC001620668819 1193788444 /nfs/dbraw/zinc/78/84/44/1193788444.db2.gz GPMSAAYPAQPENA-OAHLLOKOSA-N 1 2 322.311 3.005 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2Cc2csc([N+](=O)[O-])c2)[nH+]c1C ZINC001644480717 1195111974 /nfs/dbraw/zinc/11/19/74/1195111974.db2.gz RXGSRXVQXJVPQD-GFCCVEGCSA-N 1 2 306.391 3.333 20 5 DGBDLO Cc1nc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)ccc1[N+](=O)[O-] ZINC001652159199 1195555814 /nfs/dbraw/zinc/55/58/14/1195555814.db2.gz DAAHKCYRAUMVRB-OAHLLOKOSA-N 1 2 323.356 3.348 20 5 DGBDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC001653981495 1195764493 /nfs/dbraw/zinc/76/44/93/1195764493.db2.gz XFSOYWQGDHWLMS-QPUJVOFHSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCc2ccccc21 ZINC001654954555 1195858539 /nfs/dbraw/zinc/85/85/39/1195858539.db2.gz SDZBQDKVPVIYGW-ZDUSSCGKSA-N 1 2 312.369 3.462 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCc2ccccc21 ZINC001654954555 1195858541 /nfs/dbraw/zinc/85/85/41/1195858541.db2.gz SDZBQDKVPVIYGW-ZDUSSCGKSA-N 1 2 312.369 3.462 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)c2cccc(F)c2)c1 ZINC001657899366 1196191547 /nfs/dbraw/zinc/19/15/47/1196191547.db2.gz GYMBYVXYSXTBEJ-OAHLLOKOSA-N 1 2 324.739 3.211 20 5 DGBDLO CCC1(CC)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC001658538701 1196271000 /nfs/dbraw/zinc/27/10/00/1196271000.db2.gz HXRVBYKSPSPMRP-LYRGGWFBSA-N 1 2 322.405 3.230 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)sn1 ZINC001658970610 1196325637 /nfs/dbraw/zinc/32/56/37/1196325637.db2.gz ZKVOLGYJCSJUSV-UHFFFAOYSA-N 1 2 321.402 3.309 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)sn1 ZINC001658970610 1196325642 /nfs/dbraw/zinc/32/56/42/1196325642.db2.gz ZKVOLGYJCSJUSV-UHFFFAOYSA-N 1 2 321.402 3.309 20 5 DGBDLO O=[N+]([O-])c1cnc(NCc2c[nH+]cn2CC2CCC2)c(Cl)c1 ZINC001161530149 1089271486 /nfs/dbraw/zinc/27/14/86/1089271486.db2.gz VJPUUTYKVJFSLY-UHFFFAOYSA-N 1 2 321.768 3.252 20 5 DGBDLO CSc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC001205551048 1091250420 /nfs/dbraw/zinc/25/04/20/1091250420.db2.gz JHYNDOBDHULVQT-UHFFFAOYSA-N 1 2 318.358 3.076 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)o1 ZINC001212570346 1091366649 /nfs/dbraw/zinc/36/66/49/1091366649.db2.gz ZOOSZLZVBLBVSO-UHFFFAOYSA-N 1 2 323.268 3.091 20 5 DGBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000829056345 1091861637 /nfs/dbraw/zinc/86/16/37/1091861637.db2.gz FGTYQUZOKXAVBR-ZZXKWVIFSA-N 1 2 324.384 3.269 20 5 DGBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000829056345 1091861650 /nfs/dbraw/zinc/86/16/50/1091861650.db2.gz FGTYQUZOKXAVBR-ZZXKWVIFSA-N 1 2 324.384 3.269 20 5 DGBDLO Nc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC001209932288 1092984602 /nfs/dbraw/zinc/98/46/02/1092984602.db2.gz NOGFLSLEESVSKN-UHFFFAOYSA-N 1 2 313.361 3.306 20 5 DGBDLO Nc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1[N+](=O)[O-] ZINC001209931918 1092985158 /nfs/dbraw/zinc/98/51/58/1092985158.db2.gz FUPGFYABWLSDOW-UHFFFAOYSA-N 1 2 313.361 3.306 20 5 DGBDLO O=[N+]([O-])c1cc(Nc2ccc[nH+]c2N2CCCCC2)ccc1O ZINC001210393762 1093151873 /nfs/dbraw/zinc/15/18/73/1093151873.db2.gz YVFFPYAJECDRFB-UHFFFAOYSA-N 1 2 314.345 3.429 20 5 DGBDLO Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210396718 1093153885 /nfs/dbraw/zinc/15/38/85/1093153885.db2.gz XNDVPWIESIPPHO-UHFFFAOYSA-N 1 2 302.265 3.139 20 5 DGBDLO COc1ccc2[nH+]ccc(Nc3cc([N+](=O)[O-])ccc3C)c2n1 ZINC001211287583 1093444659 /nfs/dbraw/zinc/44/46/59/1093444659.db2.gz QNCXGINYWWVWKK-UHFFFAOYSA-N 1 2 310.313 3.021 20 5 DGBDLO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218005401 1094554833 /nfs/dbraw/zinc/55/48/33/1094554833.db2.gz FNEFHVDZHJWXLI-CYBMUJFWSA-N 1 2 308.284 3.124 20 5 DGBDLO COC(=O)[C@@H]1C[C@@H](Oc2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001218179141 1094644703 /nfs/dbraw/zinc/64/47/03/1094644703.db2.gz YBNRSIAFPZTEPI-QAPCUYQASA-N 1 2 321.376 3.275 20 5 DGBDLO C[NH+](C)CC[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccs1 ZINC001225622439 1096486662 /nfs/dbraw/zinc/48/66/62/1096486662.db2.gz HIDHACZOLCSMRC-LBPRGKRZSA-N 1 2 322.386 3.434 20 5 DGBDLO CCc1cn(Cc2cc([N+](=O)[O-])ccc2Br)c[nH+]1 ZINC001190104211 1100198768 /nfs/dbraw/zinc/19/87/68/1100198768.db2.gz QVBXQVFVJJHSFC-UHFFFAOYSA-N 1 2 310.151 3.165 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC001321282282 1107311704 /nfs/dbraw/zinc/31/17/04/1107311704.db2.gz SXTPOCUOKYJIRQ-MRXNPFEDSA-N 1 2 302.374 3.402 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC001321282282 1107311719 /nfs/dbraw/zinc/31/17/19/1107311719.db2.gz SXTPOCUOKYJIRQ-MRXNPFEDSA-N 1 2 302.374 3.402 20 5 DGBDLO Cc1nn(C[N@H+](C)CCC(F)(F)F)c2ccc([N+](=O)[O-])cc12 ZINC001319278094 1108397970 /nfs/dbraw/zinc/39/79/70/1108397970.db2.gz KWJRELTZKUDPCK-UHFFFAOYSA-N 1 2 316.283 3.095 20 5 DGBDLO Cc1nn(C[N@@H+](C)CCC(F)(F)F)c2ccc([N+](=O)[O-])cc12 ZINC001319278094 1108397984 /nfs/dbraw/zinc/39/79/84/1108397984.db2.gz KWJRELTZKUDPCK-UHFFFAOYSA-N 1 2 316.283 3.095 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001280275864 1109183117 /nfs/dbraw/zinc/18/31/17/1109183117.db2.gz RSZQKOFILHHCIX-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO CCc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(CC)[nH+]1 ZINC001306940008 1111252664 /nfs/dbraw/zinc/25/26/64/1111252664.db2.gz KJVGWXXPJRBICJ-UHFFFAOYSA-N 1 2 300.362 3.164 20 5 DGBDLO CC(=O)c1ccc(NCc2c[nH]c(C(C)C)[nH+]2)c([N+](=O)[O-])c1 ZINC001307219893 1111280530 /nfs/dbraw/zinc/28/05/30/1111280530.db2.gz YWKDBOZYPJAGTO-UHFFFAOYSA-N 1 2 302.334 3.256 20 5 DGBDLO CC(=O)c1ccc(NCc2c[nH+]c(C(C)C)[nH]2)c([N+](=O)[O-])c1 ZINC001307219893 1111280535 /nfs/dbraw/zinc/28/05/35/1111280535.db2.gz YWKDBOZYPJAGTO-UHFFFAOYSA-N 1 2 302.334 3.256 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001307218503 1111280576 /nfs/dbraw/zinc/28/05/76/1111280576.db2.gz JVIKBKUGYPYRNT-UHFFFAOYSA-N 1 2 306.753 3.462 20 5 DGBDLO Cc1c(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000321649464 231205369 /nfs/dbraw/zinc/20/53/69/231205369.db2.gz ZOQARBBYJAWINC-OAHLLOKOSA-N 1 2 320.389 3.209 20 5 DGBDLO Cc1c(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000321649464 231205371 /nfs/dbraw/zinc/20/53/71/231205371.db2.gz ZOQARBBYJAWINC-OAHLLOKOSA-N 1 2 320.389 3.209 20 5 DGBDLO CC(C)Oc1cc[nH+]cc1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000286914089 219223067 /nfs/dbraw/zinc/22/30/67/219223067.db2.gz KHZMMVJWTCFQFP-UHFFFAOYSA-N 1 2 316.313 3.134 20 5 DGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCNc1cccc[nH+]1 ZINC000444826582 239362534 /nfs/dbraw/zinc/36/25/34/239362534.db2.gz GOTPZBMPSVCDTM-UHFFFAOYSA-N 1 2 306.753 3.476 20 5 DGBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449563800 240289771 /nfs/dbraw/zinc/28/97/71/240289771.db2.gz YMRKQFCJWOKHOC-JTQLQIEISA-N 1 2 308.769 3.315 20 5 DGBDLO Cc1nn(C)c(C)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235189 432107550 /nfs/dbraw/zinc/10/75/50/432107550.db2.gz MCFRLMFFYOQXMY-UHFFFAOYSA-N 1 2 314.389 3.110 20 5 DGBDLO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235189 432107551 /nfs/dbraw/zinc/10/75/51/432107551.db2.gz MCFRLMFFYOQXMY-UHFFFAOYSA-N 1 2 314.389 3.110 20 5 DGBDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000444788436 284023225 /nfs/dbraw/zinc/02/32/25/284023225.db2.gz VKAAXIIPCYBZPN-QGZVFWFLSA-N 1 2 320.389 3.293 20 5 DGBDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000444788436 284023226 /nfs/dbraw/zinc/02/32/26/284023226.db2.gz VKAAXIIPCYBZPN-QGZVFWFLSA-N 1 2 320.389 3.293 20 5 DGBDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000469699315 244116191 /nfs/dbraw/zinc/11/61/91/244116191.db2.gz FAMKPJBMUJMFHS-OAHLLOKOSA-N 1 2 320.389 3.209 20 5 DGBDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000469699315 244116194 /nfs/dbraw/zinc/11/61/94/244116194.db2.gz FAMKPJBMUJMFHS-OAHLLOKOSA-N 1 2 320.389 3.209 20 5 DGBDLO CC(C)[N@H+](Cc1nnc(C2CC2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000125765607 284283591 /nfs/dbraw/zinc/28/35/91/284283591.db2.gz WMFUIYTURMOKCI-UHFFFAOYSA-N 1 2 316.361 3.266 20 5 DGBDLO CC(C)[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000125765607 284283595 /nfs/dbraw/zinc/28/35/95/284283595.db2.gz WMFUIYTURMOKCI-UHFFFAOYSA-N 1 2 316.361 3.266 20 5 DGBDLO COc1c(C)c[nH+]c(CSc2ncccc2[N+](=O)[O-])c1C ZINC000126869997 284319446 /nfs/dbraw/zinc/31/94/46/284319446.db2.gz AQOQGUHBHRJMTL-UHFFFAOYSA-N 1 2 305.359 3.303 20 5 DGBDLO CCc1c[nH+]ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265964004 205002280 /nfs/dbraw/zinc/00/22/80/205002280.db2.gz HJHPTERFRAXYKB-UHFFFAOYSA-N 1 2 313.357 3.469 20 5 DGBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC000267656341 206201185 /nfs/dbraw/zinc/20/11/85/206201185.db2.gz VZJHRMLYGNZGEK-JTQLQIEISA-N 1 2 307.375 3.049 20 5 DGBDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000269107668 207245865 /nfs/dbraw/zinc/24/58/65/207245865.db2.gz VFSNQFKOBRBWEK-JTQLQIEISA-N 1 2 306.391 3.421 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2[nH+]1 ZINC000336876725 253016754 /nfs/dbraw/zinc/01/67/54/253016754.db2.gz UVVHINMZIMYCPE-UHFFFAOYSA-N 1 2 314.276 3.171 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000336876725 253016756 /nfs/dbraw/zinc/01/67/56/253016756.db2.gz UVVHINMZIMYCPE-UHFFFAOYSA-N 1 2 314.276 3.171 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1Nc1ccc(Nc2ccccc2)[nH+]c1 ZINC000338722416 253340981 /nfs/dbraw/zinc/34/09/81/253340981.db2.gz GSNWKKIQAHASJJ-UHFFFAOYSA-N 1 2 310.317 3.211 20 5 DGBDLO Cn1cc[nH+]c1[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1CC1 ZINC000343250454 254120078 /nfs/dbraw/zinc/12/00/78/254120078.db2.gz MUFKHWFMIFMKPD-OAHLLOKOSA-N 1 2 323.356 3.440 20 5 DGBDLO Cn1cc[nH+]c1[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000343271133 254122547 /nfs/dbraw/zinc/12/25/47/254122547.db2.gz ARMZROMBECYLJY-LBPRGKRZSA-N 1 2 308.288 3.170 20 5 DGBDLO CC(=O)c1ccc(N[C@@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])c1 ZINC000343275288 254122867 /nfs/dbraw/zinc/12/28/67/254122867.db2.gz SVLIQKIEOSDIFZ-OAHLLOKOSA-N 1 2 314.345 3.094 20 5 DGBDLO CC(C)(C)c1nnc(C[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000344632974 254291176 /nfs/dbraw/zinc/29/11/76/254291176.db2.gz VUVKULVWARVKOP-UHFFFAOYSA-N 1 2 312.420 3.095 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCNc1sccc1[N+](=O)[O-] ZINC000301941616 285276153 /nfs/dbraw/zinc/27/61/53/285276153.db2.gz VYWFOFWIRZMGBO-UHFFFAOYSA-N 1 2 302.359 3.427 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC000289566892 221072769 /nfs/dbraw/zinc/07/27/69/221072769.db2.gz OBPGONAYDUNGTB-HOTGVXAUSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC000289566892 221072771 /nfs/dbraw/zinc/07/27/71/221072771.db2.gz OBPGONAYDUNGTB-HOTGVXAUSA-N 1 2 320.364 3.267 20 5 DGBDLO Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000121616053 195316866 /nfs/dbraw/zinc/31/68/66/195316866.db2.gz XHUPCKRNRMBVEW-UHFFFAOYSA-N 1 2 314.345 3.047 20 5 DGBDLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052930 400091503 /nfs/dbraw/zinc/09/15/03/400091503.db2.gz TVHSJWBQQUJQME-VXGBXAGGSA-N 1 2 318.377 3.232 20 5 DGBDLO Cn1ccnc1[C@H]([NH2+]CC1=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595094095 400104227 /nfs/dbraw/zinc/10/42/27/400104227.db2.gz CJUXMUIREHQRLC-MRXNPFEDSA-N 1 2 312.373 3.118 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000595105340 400107438 /nfs/dbraw/zinc/10/74/38/400107438.db2.gz DGJDGEJFVAIBNW-NWDGAFQWSA-N 1 2 318.377 3.139 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000016442282 400173035 /nfs/dbraw/zinc/17/30/35/400173035.db2.gz QNAQJLRZAQJMKK-SNVBAGLBSA-N 1 2 311.769 3.061 20 5 DGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000091484946 400123970 /nfs/dbraw/zinc/12/39/70/400123970.db2.gz SAVNUWSQVQLFRL-UHFFFAOYSA-N 1 2 322.368 3.476 20 5 DGBDLO Cc1noc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000595332636 400128092 /nfs/dbraw/zinc/12/80/92/400128092.db2.gz OHLSLGPBAQDCSE-PWSUYJOCSA-N 1 2 305.334 3.457 20 5 DGBDLO Cc1noc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000595332636 400128100 /nfs/dbraw/zinc/12/81/00/400128100.db2.gz OHLSLGPBAQDCSE-PWSUYJOCSA-N 1 2 305.334 3.457 20 5 DGBDLO Cc1noc(C[NH2+][C@H](c2ncccc2C)C(C)C)c1[N+](=O)[O-] ZINC000595369745 400135245 /nfs/dbraw/zinc/13/52/45/400135245.db2.gz AIEJASDIKCZSQE-ZDUSSCGKSA-N 1 2 304.350 3.082 20 5 DGBDLO COc1cccc2c1CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595426020 400145238 /nfs/dbraw/zinc/14/52/38/400145238.db2.gz OBDNZHJAGOBLQO-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cccc2c1CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595426020 400145244 /nfs/dbraw/zinc/14/52/44/400145244.db2.gz OBDNZHJAGOBLQO-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000595559901 400188151 /nfs/dbraw/zinc/18/81/51/400188151.db2.gz WLQZDJRNWPVFSY-OAHLLOKOSA-N 1 2 322.311 3.086 20 5 DGBDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595680967 400225520 /nfs/dbraw/zinc/22/55/20/400225520.db2.gz JBFGKXFEXZSPPO-NSHDSACASA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595680967 400225522 /nfs/dbraw/zinc/22/55/22/400225522.db2.gz JBFGKXFEXZSPPO-NSHDSACASA-N 1 2 310.781 3.392 20 5 DGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595758189 400250852 /nfs/dbraw/zinc/25/08/52/400250852.db2.gz CYDMCGXSNTWUBG-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595758189 400250860 /nfs/dbraw/zinc/25/08/60/400250860.db2.gz CYDMCGXSNTWUBG-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO O=[N+]([O-])c1sccc1NCC1CC[NH+](CC(F)F)CC1 ZINC000601166755 400255136 /nfs/dbraw/zinc/25/51/36/400255136.db2.gz RBASZYYPOWZZID-UHFFFAOYSA-N 1 2 305.350 3.045 20 5 DGBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595814723 400267056 /nfs/dbraw/zinc/26/70/56/400267056.db2.gz IFZKPKMCOKORLJ-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595814723 400267062 /nfs/dbraw/zinc/26/70/62/400267062.db2.gz IFZKPKMCOKORLJ-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO Cc1c(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595912769 400293095 /nfs/dbraw/zinc/29/30/95/400293095.db2.gz BCIOLTURJGZSTR-MEBBXXQBSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595912769 400293099 /nfs/dbraw/zinc/29/30/99/400293099.db2.gz BCIOLTURJGZSTR-MEBBXXQBSA-N 1 2 314.332 3.148 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)Nc1ccccc1 ZINC000072561925 400388479 /nfs/dbraw/zinc/38/84/79/400388479.db2.gz MDHLTSSBGZHJSI-ZDUSSCGKSA-N 1 2 313.357 3.226 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000072561925 400388484 /nfs/dbraw/zinc/38/84/84/400388484.db2.gz MDHLTSSBGZHJSI-ZDUSSCGKSA-N 1 2 313.357 3.226 20 5 DGBDLO Cc1cc(NCC2CC[NH+](CC(F)F)CC2)c([N+](=O)[O-])s1 ZINC000596240393 400358851 /nfs/dbraw/zinc/35/88/51/400358851.db2.gz XCXISTLSARWRLC-UHFFFAOYSA-N 1 2 319.377 3.354 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000611274562 400370782 /nfs/dbraw/zinc/37/07/82/400370782.db2.gz RUUUSDPZHKZDIB-OAHLLOKOSA-N 1 2 302.305 3.387 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000611274562 400370785 /nfs/dbraw/zinc/37/07/85/400370785.db2.gz RUUUSDPZHKZDIB-OAHLLOKOSA-N 1 2 302.305 3.387 20 5 DGBDLO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590688602 400416784 /nfs/dbraw/zinc/41/67/84/400416784.db2.gz UHKBOUXFNXNKIW-OAHLLOKOSA-N 1 2 323.356 3.181 20 5 DGBDLO C[C@H]1CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602467346 400470104 /nfs/dbraw/zinc/47/01/04/400470104.db2.gz IFHXBDMPQIWPSU-ZETCQYMHSA-N 1 2 305.197 3.403 20 5 DGBDLO C[C@H]1CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602467346 400470107 /nfs/dbraw/zinc/47/01/07/400470107.db2.gz IFHXBDMPQIWPSU-ZETCQYMHSA-N 1 2 305.197 3.403 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC4(CCOC4)CC3)c2c1 ZINC000591160159 400495807 /nfs/dbraw/zinc/49/58/07/400495807.db2.gz YNJCOOJUFOWGLU-UHFFFAOYSA-N 1 2 313.357 3.150 20 5 DGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccsc1 ZINC000128397373 400514807 /nfs/dbraw/zinc/51/48/07/400514807.db2.gz ZWVZTBBGDWFSBR-NSHDSACASA-N 1 2 319.386 3.115 20 5 DGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccsc1 ZINC000128397373 400514812 /nfs/dbraw/zinc/51/48/12/400514812.db2.gz ZWVZTBBGDWFSBR-NSHDSACASA-N 1 2 319.386 3.115 20 5 DGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1Br ZINC000602715240 400549319 /nfs/dbraw/zinc/54/93/19/400549319.db2.gz YOLYPZQVGCWDNU-HTQZYQBOSA-N 1 2 317.208 3.261 20 5 DGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1Br ZINC000602715240 400549324 /nfs/dbraw/zinc/54/93/24/400549324.db2.gz YOLYPZQVGCWDNU-HTQZYQBOSA-N 1 2 317.208 3.261 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000592186942 400620606 /nfs/dbraw/zinc/62/06/06/400620606.db2.gz BMOCTMIQVKZZFO-LLVKDONJSA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000592186942 400620610 /nfs/dbraw/zinc/62/06/10/400620610.db2.gz BMOCTMIQVKZZFO-LLVKDONJSA-N 1 2 310.781 3.392 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nnc(C)s1 ZINC000597243145 400598190 /nfs/dbraw/zinc/59/81/90/400598190.db2.gz FOPCUXJWRPKYHV-YRNVUSSQSA-N 1 2 318.402 3.290 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nnc(C)s1 ZINC000597243145 400598196 /nfs/dbraw/zinc/59/81/96/400598196.db2.gz FOPCUXJWRPKYHV-YRNVUSSQSA-N 1 2 318.402 3.290 20 5 DGBDLO CC[C@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602922728 400607973 /nfs/dbraw/zinc/60/79/73/400607973.db2.gz COBMRIBFCIHPFH-HNNXBMFYSA-N 1 2 307.325 3.445 20 5 DGBDLO CCOc1cccc(N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000613044864 400647457 /nfs/dbraw/zinc/64/74/57/400647457.db2.gz PJQIDFAKQRURBG-ZDUSSCGKSA-N 1 2 316.361 3.032 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000619179482 400791506 /nfs/dbraw/zinc/79/15/06/400791506.db2.gz MHEKWPAVHDZUJL-INIZCTEOSA-N 1 2 322.405 3.240 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000619179482 400791507 /nfs/dbraw/zinc/79/15/07/400791507.db2.gz MHEKWPAVHDZUJL-INIZCTEOSA-N 1 2 322.405 3.240 20 5 DGBDLO CCC[C@H](CCO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599052503 400939182 /nfs/dbraw/zinc/93/91/82/400939182.db2.gz OBJGNZXDORLEKE-GFCCVEGCSA-N 1 2 303.362 3.354 20 5 DGBDLO CCC(F)(F)CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599069416 400948805 /nfs/dbraw/zinc/94/88/05/400948805.db2.gz ZLTJMVBKRYTPKZ-CYBMUJFWSA-N 1 2 324.331 3.053 20 5 DGBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000056195975 400914503 /nfs/dbraw/zinc/91/45/03/400914503.db2.gz JDEZTNKPFLRRNY-UWVGGRQHSA-N 1 2 302.334 3.267 20 5 DGBDLO CO[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1(C)C ZINC000599083868 400953872 /nfs/dbraw/zinc/95/38/72/400953872.db2.gz NDLPNNVZLJAYQZ-OAHLLOKOSA-N 1 2 315.373 3.394 20 5 DGBDLO CO[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000599082456 400953966 /nfs/dbraw/zinc/95/39/66/400953966.db2.gz CHLPHNSJPDRHJM-XHDPSFHLSA-N 1 2 301.346 3.004 20 5 DGBDLO CO[C@@](C)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599083919 400954096 /nfs/dbraw/zinc/95/40/96/400954096.db2.gz YMIMQCPVCPQDHQ-INIZCTEOSA-N 1 2 301.346 3.370 20 5 DGBDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599163292 400982720 /nfs/dbraw/zinc/98/27/20/400982720.db2.gz FWJIQNYQWIHJRH-RSQPEXBXSA-N 1 2 301.346 3.367 20 5 DGBDLO CCC(O)(CC)CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000599193726 400994245 /nfs/dbraw/zinc/99/42/45/400994245.db2.gz WUIQAFGLJMABTM-UHFFFAOYSA-N 1 2 303.362 3.130 20 5 DGBDLO O=[N+]([O-])c1c(N[C@H]2CCC[C@@H](CO)C2)ccc2c[nH+]ccc21 ZINC000599092977 400958435 /nfs/dbraw/zinc/95/84/35/400958435.db2.gz SJAUEOAIQAVEFP-YPMHNXCESA-N 1 2 301.346 3.106 20 5 DGBDLO C[C@]1(C(F)F)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599112406 400963550 /nfs/dbraw/zinc/96/35/50/400963550.db2.gz ZQEVFOMURNAVIZ-OAHLLOKOSA-N 1 2 323.299 3.003 20 5 DGBDLO O=[N+]([O-])c1c(NCC[C@@H]2CCCOC2)ccc2c[nH+]ccc21 ZINC000599117259 400964511 /nfs/dbraw/zinc/96/45/11/400964511.db2.gz QKYZKVRPAZOPTP-LBPRGKRZSA-N 1 2 301.346 3.372 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599686639 401115007 /nfs/dbraw/zinc/11/50/07/401115007.db2.gz GSYSPNGUWZRTTG-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599686639 401115011 /nfs/dbraw/zinc/11/50/11/401115011.db2.gz GSYSPNGUWZRTTG-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO Cc1cccc2[nH+]c(CN3CCc4ccc([N+](=O)[O-])cc4C3)cn21 ZINC000088607136 401204607 /nfs/dbraw/zinc/20/46/07/401204607.db2.gz BKTCTGLGFNFPHR-UHFFFAOYSA-N 1 2 322.368 3.109 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1[N+](=O)[O-] ZINC000600208811 401221888 /nfs/dbraw/zinc/22/18/88/401221888.db2.gz MBWMDDFVIFHEEW-UHFFFAOYSA-N 1 2 324.384 3.129 20 5 DGBDLO Cc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1[N+](=O)[O-] ZINC000600208811 401221889 /nfs/dbraw/zinc/22/18/89/401221889.db2.gz MBWMDDFVIFHEEW-UHFFFAOYSA-N 1 2 324.384 3.129 20 5 DGBDLO CCc1nc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000065537785 401270478 /nfs/dbraw/zinc/27/04/78/401270478.db2.gz UNJFFKHXODCPFK-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO CCc1nc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000065537785 401270483 /nfs/dbraw/zinc/27/04/83/401270483.db2.gz UNJFFKHXODCPFK-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO Cc1nn(C)c(Nc2ccc(NC3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000358874746 286175042 /nfs/dbraw/zinc/17/50/42/286175042.db2.gz WYHQSUXGCABRIB-UHFFFAOYSA-N 1 2 316.365 3.130 20 5 DGBDLO CCOc1cc(N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000359099894 286236867 /nfs/dbraw/zinc/23/68/67/286236867.db2.gz OXXVALRVHBXBPS-CYBMUJFWSA-N 1 2 302.334 3.058 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1cccc(C)c1[N+](=O)[O-])CCC2 ZINC000364246812 287003148 /nfs/dbraw/zinc/00/31/48/287003148.db2.gz CHHTVSCLQHMVNU-CYBMUJFWSA-N 1 2 300.362 3.398 20 5 DGBDLO Cc1cnc(OCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000188053430 165110715 /nfs/dbraw/zinc/11/07/15/165110715.db2.gz ZWTZXRLCUAKHFR-UHFFFAOYSA-N 1 2 310.313 3.063 20 5 DGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000271632430 209077135 /nfs/dbraw/zinc/07/71/35/209077135.db2.gz ODKCCAOYXXRTJR-VIFPVBQESA-N 1 2 314.267 3.311 20 5 DGBDLO Cc1cc(N)nc(SCc2c(Cl)cccc2[N+](=O)[O-])[nH+]1 ZINC000148606992 227052454 /nfs/dbraw/zinc/05/24/54/227052454.db2.gz TYILZSDOORAPBE-UHFFFAOYSA-N 1 2 310.766 3.221 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000157941633 228235594 /nfs/dbraw/zinc/23/55/94/228235594.db2.gz DEWQSDVFPAJDBN-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000157941633 228235597 /nfs/dbraw/zinc/23/55/97/228235597.db2.gz DEWQSDVFPAJDBN-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCCCC3)[nH+]c2)c(F)c1 ZINC000413044928 230118726 /nfs/dbraw/zinc/11/87/26/230118726.db2.gz PKJCTCWHKRWKMB-UHFFFAOYSA-N 1 2 317.324 3.258 20 5 DGBDLO CO[C@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000413186725 230149806 /nfs/dbraw/zinc/14/98/06/230149806.db2.gz PUFBRVZHPGRBRB-KGLIPLIRSA-N 1 2 301.346 3.368 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352410938 265037364 /nfs/dbraw/zinc/03/73/64/265037364.db2.gz USOAAGILXRRALX-NSHDSACASA-N 1 2 324.743 3.031 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352410938 265037369 /nfs/dbraw/zinc/03/73/69/265037369.db2.gz USOAAGILXRRALX-NSHDSACASA-N 1 2 324.743 3.031 20 5 DGBDLO Cc1nc(C)c(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000352706016 265136370 /nfs/dbraw/zinc/13/63/70/265136370.db2.gz MFPGSSXRABMMEX-UHFFFAOYSA-N 1 2 319.386 3.063 20 5 DGBDLO Cc1nc(C)c(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000352706016 265136372 /nfs/dbraw/zinc/13/63/72/265136372.db2.gz MFPGSSXRABMMEX-UHFFFAOYSA-N 1 2 319.386 3.063 20 5 DGBDLO Cc1nc([C@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000369279050 271257506 /nfs/dbraw/zinc/25/75/06/271257506.db2.gz KQWMKZINZVSTAK-OAHLLOKOSA-N 1 2 316.361 3.056 20 5 DGBDLO Cc1nc([C@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000369279050 271257510 /nfs/dbraw/zinc/25/75/10/271257510.db2.gz KQWMKZINZVSTAK-OAHLLOKOSA-N 1 2 316.361 3.056 20 5 DGBDLO CCO[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000413323608 276359800 /nfs/dbraw/zinc/35/98/00/276359800.db2.gz YTHVMWJBBHNZQM-WBMJQRKESA-N 1 2 315.373 3.394 20 5 DGBDLO C[C@@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450830190 278030699 /nfs/dbraw/zinc/03/06/99/278030699.db2.gz NKHWSDRXLSNSKK-YGRLFVJLSA-N 1 2 309.329 3.457 20 5 DGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117578387 431569604 /nfs/dbraw/zinc/56/96/04/431569604.db2.gz GCUGEEWGTKIKGS-UHFFFAOYSA-N 1 2 308.297 3.033 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434632088 280374372 /nfs/dbraw/zinc/37/43/72/280374372.db2.gz ZBJSVGUNKBPXRT-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOc2c(F)cccc2C1 ZINC000434632088 280374376 /nfs/dbraw/zinc/37/43/76/280374376.db2.gz ZBJSVGUNKBPXRT-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000069189830 280374971 /nfs/dbraw/zinc/37/49/71/280374971.db2.gz RKKKOYKIYXMDAG-UHFFFAOYSA-N 1 2 315.348 3.056 20 5 DGBDLO O=[N+]([O-])c1cc(CNc2ccc(N3CCCC3)[nH+]c2)cs1 ZINC000037562851 431847972 /nfs/dbraw/zinc/84/79/72/431847972.db2.gz UABPRIPRUUZNTP-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DGBDLO Cc1ccc2[nH+]c(CN(C)Cc3ccccc3[N+](=O)[O-])cn2c1 ZINC000045915233 431891725 /nfs/dbraw/zinc/89/17/25/431891725.db2.gz UASPNWPFCPHBGI-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ncccc1[N+](=O)[O-] ZINC000046229356 431895515 /nfs/dbraw/zinc/89/55/15/431895515.db2.gz UIBSCHPPKJICND-UHFFFAOYSA-N 1 2 311.345 3.150 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cn3ccccc3n2)c(Cl)c1 ZINC000183401437 432290488 /nfs/dbraw/zinc/29/04/88/432290488.db2.gz LAVDQNVNOTVZHU-UHFFFAOYSA-N 1 2 316.748 3.186 20 5 DGBDLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271043928 432321409 /nfs/dbraw/zinc/32/14/09/432321409.db2.gz PUHYWAPPMGJPQV-UHFFFAOYSA-N 1 2 308.769 3.220 20 5 DGBDLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271043928 432321410 /nfs/dbraw/zinc/32/14/10/432321410.db2.gz PUHYWAPPMGJPQV-UHFFFAOYSA-N 1 2 308.769 3.220 20 5 DGBDLO CCn1nc(C)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000271050780 432322464 /nfs/dbraw/zinc/32/24/64/432322464.db2.gz ACOPKRGPQGGMDB-UHFFFAOYSA-N 1 2 302.378 3.060 20 5 DGBDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000271050780 432322469 /nfs/dbraw/zinc/32/24/69/432322469.db2.gz ACOPKRGPQGGMDB-UHFFFAOYSA-N 1 2 302.378 3.060 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183923665 432334912 /nfs/dbraw/zinc/33/49/12/432334912.db2.gz XCTGZKFLKJPFOW-UHFFFAOYSA-N 1 2 321.402 3.393 20 5 DGBDLO COc1cc(C[N@H+](C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1F ZINC000184288449 432376428 /nfs/dbraw/zinc/37/64/28/432376428.db2.gz OAFYTFRAZXRWFP-NSHDSACASA-N 1 2 319.336 3.331 20 5 DGBDLO COc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1F ZINC000184288449 432376432 /nfs/dbraw/zinc/37/64/32/432376432.db2.gz OAFYTFRAZXRWFP-NSHDSACASA-N 1 2 319.336 3.331 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nccs2)cc1[N+](=O)[O-] ZINC000153093843 432383666 /nfs/dbraw/zinc/38/36/66/432383666.db2.gz QRNOKXRTEYWXDK-SNVBAGLBSA-N 1 2 307.375 3.301 20 5 DGBDLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000271428790 432393767 /nfs/dbraw/zinc/39/37/67/432393767.db2.gz DHUNYVLJRBCWJH-ZUZCIYMTSA-N 1 2 322.311 3.257 20 5 DGBDLO COc1ncccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000193442552 432474063 /nfs/dbraw/zinc/47/40/63/432474063.db2.gz OEIKAVULHTVYAN-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ncccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000193442552 432474068 /nfs/dbraw/zinc/47/40/68/432474068.db2.gz OEIKAVULHTVYAN-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO C[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000162184808 432816561 /nfs/dbraw/zinc/81/65/61/432816561.db2.gz UMSOZCKFVDUORP-UHFFFAOYSA-N 1 2 312.272 3.421 20 5 DGBDLO C[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000162184808 432816564 /nfs/dbraw/zinc/81/65/64/432816564.db2.gz UMSOZCKFVDUORP-UHFFFAOYSA-N 1 2 312.272 3.421 20 5 DGBDLO O=[N+]([O-])c1cc(CNC[C@H](c2ccco2)[NH+]2CCCC2)cs1 ZINC000237974307 432807309 /nfs/dbraw/zinc/80/73/09/432807309.db2.gz COMNICRVGUHXAN-CYBMUJFWSA-N 1 2 321.402 3.176 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000278332485 432892549 /nfs/dbraw/zinc/89/25/49/432892549.db2.gz ZIRRSKLGTLSOMH-CQSZACIVSA-N 1 2 316.317 3.168 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000278332485 432892551 /nfs/dbraw/zinc/89/25/51/432892551.db2.gz ZIRRSKLGTLSOMH-CQSZACIVSA-N 1 2 316.317 3.168 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000163328144 432850119 /nfs/dbraw/zinc/85/01/19/432850119.db2.gz VHIVYORZRSRASV-GJZGRUSLSA-N 1 2 310.781 3.392 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000163328144 432850122 /nfs/dbraw/zinc/85/01/22/432850122.db2.gz VHIVYORZRSRASV-GJZGRUSLSA-N 1 2 310.781 3.392 20 5 DGBDLO Cc1cc(C)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000155026490 292697258 /nfs/dbraw/zinc/69/72/58/292697258.db2.gz VUUQHQWKLOLUNM-UHFFFAOYSA-N 1 2 313.357 3.486 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000349839190 433020024 /nfs/dbraw/zinc/02/00/24/433020024.db2.gz YRSHFOJIUBJSGQ-QWRGUYRKSA-N 1 2 305.334 3.393 20 5 DGBDLO CC1=CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280715190 433147615 /nfs/dbraw/zinc/14/76/15/433147615.db2.gz DZMUJOABPPXXMG-NSHDSACASA-N 1 2 323.780 3.227 20 5 DGBDLO CC1=CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280715190 433147624 /nfs/dbraw/zinc/14/76/24/433147624.db2.gz DZMUJOABPPXXMG-NSHDSACASA-N 1 2 323.780 3.227 20 5 DGBDLO C[C@H]1C[C@@H](CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413236169 433268821 /nfs/dbraw/zinc/26/88/21/433268821.db2.gz QIMSERVZLIPIEW-STQMWFEESA-N 1 2 315.373 3.760 20 5 DGBDLO COC(=O)[C@H](C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000361655287 433319768 /nfs/dbraw/zinc/31/97/68/433319768.db2.gz ORWJVEFKWWHNHD-WOLRVDTOSA-N 1 2 318.373 3.024 20 5 DGBDLO COC(=O)[C@H](C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000361655287 433319782 /nfs/dbraw/zinc/31/97/82/433319782.db2.gz ORWJVEFKWWHNHD-WOLRVDTOSA-N 1 2 318.373 3.024 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c2ccncc21 ZINC000374786077 433273944 /nfs/dbraw/zinc/27/39/44/433273944.db2.gz XVTBXIZOACMSKE-OAHLLOKOSA-N 1 2 309.329 3.208 20 5 DGBDLO Cc1cc(C)c(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)c[nH+]1 ZINC000454154528 433296437 /nfs/dbraw/zinc/29/64/37/433296437.db2.gz WDGKUAGYZZFXQV-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccon1 ZINC000339088893 433355566 /nfs/dbraw/zinc/35/55/66/433355566.db2.gz IKGADEGFADVBTE-MRVPVSSYSA-N 1 2 315.251 3.452 20 5 DGBDLO Cc1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000339038653 433331137 /nfs/dbraw/zinc/33/11/37/433331137.db2.gz SVRSRFXHRMVOKS-GFCCVEGCSA-N 1 2 300.362 3.990 20 5 DGBDLO CC(C)(C)[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000448366457 433395928 /nfs/dbraw/zinc/39/59/28/433395928.db2.gz LXHKFJSWIKZXLE-QKIRZYONSA-N 1 2 304.390 3.355 20 5 DGBDLO CC(C)(C)[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000448366457 433395936 /nfs/dbraw/zinc/39/59/36/433395936.db2.gz LXHKFJSWIKZXLE-QKIRZYONSA-N 1 2 304.390 3.355 20 5 DGBDLO Cc1cc(NCc2ccccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301084772 433408849 /nfs/dbraw/zinc/40/88/49/433408849.db2.gz GGVKMBIPOTVMLA-UHFFFAOYSA-N 1 2 321.340 3.367 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301117639 433421223 /nfs/dbraw/zinc/42/12/23/433421223.db2.gz QBWZWARQNWAKDF-UHFFFAOYSA-N 1 2 316.361 3.437 20 5 DGBDLO CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1F ZINC000339214167 433440637 /nfs/dbraw/zinc/44/06/37/433440637.db2.gz RDZRETINGSTUGH-UHFFFAOYSA-N 1 2 304.321 3.464 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1NCCCCNc1cccc[nH+]1 ZINC000342113705 433475572 /nfs/dbraw/zinc/47/55/72/433475572.db2.gz LPOFPHWEFKEONO-UHFFFAOYSA-N 1 2 304.325 3.433 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2csnn2)cc1[N+](=O)[O-] ZINC000414309229 433532522 /nfs/dbraw/zinc/53/25/22/433532522.db2.gz UPOMRAZRUXWWGD-NXEZZACHSA-N 1 2 322.390 3.257 20 5 DGBDLO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])c(C)n2)c[nH+]1 ZINC000301672127 433671087 /nfs/dbraw/zinc/67/10/87/433671087.db2.gz ZMETYYJPYAHDDQ-UHFFFAOYSA-N 1 2 301.350 3.283 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000339789273 433785541 /nfs/dbraw/zinc/78/55/41/433785541.db2.gz XYZSJCAYJTWMHT-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000339789273 433785548 /nfs/dbraw/zinc/78/55/48/433785548.db2.gz XYZSJCAYJTWMHT-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO C[N@H+](CCCOc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000351921943 433793259 /nfs/dbraw/zinc/79/32/59/433793259.db2.gz VSWPXZGDGOLZKX-UHFFFAOYSA-N 1 2 316.357 3.201 20 5 DGBDLO C[N@@H+](CCCOc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000351921943 433793265 /nfs/dbraw/zinc/79/32/65/433793265.db2.gz VSWPXZGDGOLZKX-UHFFFAOYSA-N 1 2 316.357 3.201 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000357020601 433826719 /nfs/dbraw/zinc/82/67/19/433826719.db2.gz YEWOPUKYEHWGMV-CYBMUJFWSA-N 1 2 322.405 3.381 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000357020601 433826723 /nfs/dbraw/zinc/82/67/23/433826723.db2.gz YEWOPUKYEHWGMV-CYBMUJFWSA-N 1 2 322.405 3.381 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cc1[N+](=O)[O-] ZINC000433044666 433836627 /nfs/dbraw/zinc/83/66/27/433836627.db2.gz BQMDAQRGDHFDRP-MCMMXHMISA-N 1 2 324.446 3.061 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cc1[N+](=O)[O-] ZINC000433044666 433836635 /nfs/dbraw/zinc/83/66/35/433836635.db2.gz BQMDAQRGDHFDRP-MCMMXHMISA-N 1 2 324.446 3.061 20 5 DGBDLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000294841892 434144062 /nfs/dbraw/zinc/14/40/62/434144062.db2.gz BFUMIKJQTHYMFQ-LBPRGKRZSA-N 1 2 313.361 3.158 20 5 DGBDLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000294841892 434144077 /nfs/dbraw/zinc/14/40/77/434144077.db2.gz BFUMIKJQTHYMFQ-LBPRGKRZSA-N 1 2 313.361 3.158 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000353566967 434234102 /nfs/dbraw/zinc/23/41/02/434234102.db2.gz FOIHKHGQWOVDOU-SSDOTTSWSA-N 1 2 312.782 3.259 20 5 DGBDLO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000340679443 434291401 /nfs/dbraw/zinc/29/14/01/434291401.db2.gz MFNVKBZSAWROBV-SNVBAGLBSA-N 1 2 311.769 3.061 20 5 DGBDLO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000340679443 434291410 /nfs/dbraw/zinc/29/14/10/434291410.db2.gz MFNVKBZSAWROBV-SNVBAGLBSA-N 1 2 311.769 3.061 20 5 DGBDLO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccccc1[N+](=O)[O-] ZINC000358078840 434321856 /nfs/dbraw/zinc/32/18/56/434321856.db2.gz DSYGCBWWKGARBV-JTQLQIEISA-N 1 2 302.359 3.155 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc(C)n1 ZINC000353752270 434400591 /nfs/dbraw/zinc/40/05/91/434400591.db2.gz RTFBRNHTMNGNJZ-UHFFFAOYSA-N 1 2 315.373 3.329 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccc(C)n1 ZINC000353752270 434400599 /nfs/dbraw/zinc/40/05/99/434400599.db2.gz RTFBRNHTMNGNJZ-UHFFFAOYSA-N 1 2 315.373 3.329 20 5 DGBDLO COc1ccc(F)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000340880141 434410468 /nfs/dbraw/zinc/41/04/68/434410468.db2.gz CTRKAMSAQMSZLS-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1ccc(F)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000340880141 434410476 /nfs/dbraw/zinc/41/04/76/434410476.db2.gz CTRKAMSAQMSZLS-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459636605 434641552 /nfs/dbraw/zinc/64/15/52/434641552.db2.gz WFHQPUKGPUWGOS-VIFPVBQESA-N 1 2 319.386 3.096 20 5 DGBDLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851970 434713018 /nfs/dbraw/zinc/71/30/18/434713018.db2.gz SZHOVQRRKLBKIN-SMDDNHRTSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851970 434713022 /nfs/dbraw/zinc/71/30/22/434713022.db2.gz SZHOVQRRKLBKIN-SMDDNHRTSA-N 1 2 318.352 3.051 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372159390 434806340 /nfs/dbraw/zinc/80/63/40/434806340.db2.gz ANGVXMYDEJZWTB-GDBMZVCRSA-N 1 2 322.405 3.090 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372159390 434806344 /nfs/dbraw/zinc/80/63/44/434806344.db2.gz ANGVXMYDEJZWTB-GDBMZVCRSA-N 1 2 322.405 3.090 20 5 DGBDLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000579614183 435168934 /nfs/dbraw/zinc/16/89/34/435168934.db2.gz UQHPNDJBPRBHGC-ZWNOBZJWSA-N 1 2 315.377 3.174 20 5 DGBDLO COc1ccc(-c2ccc(CNc3c[nH]c[nH+]3)o2)c([N+](=O)[O-])c1 ZINC000568496984 435443018 /nfs/dbraw/zinc/44/30/18/435443018.db2.gz QUWVCQOUEJRANB-UHFFFAOYSA-N 1 2 314.301 3.199 20 5 DGBDLO Cc1cccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000275456248 301998744 /nfs/dbraw/zinc/99/87/44/301998744.db2.gz MEFZBLGJUGGGQZ-IUODEOHRSA-N 1 2 300.362 3.187 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000573338074 315859516 /nfs/dbraw/zinc/85/95/16/315859516.db2.gz CIEPBEFVJOYJIR-PELKAZGASA-N 1 2 304.375 3.093 20 5 DGBDLO COc1ccc(C[NH2+]CC(F)(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000577683887 316259081 /nfs/dbraw/zinc/25/90/81/316259081.db2.gz IMNNOLUFEBCXIG-UHFFFAOYSA-N 1 2 322.311 3.485 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1C2CCC1CC2 ZINC000583356908 324342690 /nfs/dbraw/zinc/34/26/90/324342690.db2.gz TXEIOIRDPRGFLM-KPPDAEKUSA-N 1 2 323.780 3.202 20 5 DGBDLO CCCc1nc(C)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000583670264 324382302 /nfs/dbraw/zinc/38/23/02/324382302.db2.gz RLWDEJNEZZFEIU-UHFFFAOYSA-N 1 2 315.373 3.402 20 5 DGBDLO CCCc1nc(C)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000583670264 324382305 /nfs/dbraw/zinc/38/23/05/324382305.db2.gz RLWDEJNEZZFEIU-UHFFFAOYSA-N 1 2 315.373 3.402 20 5 DGBDLO Cc1occc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444589568 534565266 /nfs/dbraw/zinc/56/52/66/534565266.db2.gz JFCXNBZHMJDKNX-UHFFFAOYSA-N 1 2 300.318 3.005 20 5 DGBDLO Cc1occc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444589568 534565269 /nfs/dbraw/zinc/56/52/69/534565269.db2.gz JFCXNBZHMJDKNX-UHFFFAOYSA-N 1 2 300.318 3.005 20 5 DGBDLO CCOC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000434984238 528803969 /nfs/dbraw/zinc/80/39/69/528803969.db2.gz VUHRDCKSJZKXCV-UHFFFAOYSA-N 1 2 320.389 3.211 20 5 DGBDLO CCOC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000434984238 528803970 /nfs/dbraw/zinc/80/39/70/528803970.db2.gz VUHRDCKSJZKXCV-UHFFFAOYSA-N 1 2 320.389 3.211 20 5 DGBDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000470250329 535643176 /nfs/dbraw/zinc/64/31/76/535643176.db2.gz KBMOTYPBOHXWNB-HNNXBMFYSA-N 1 2 320.389 3.209 20 5 DGBDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000470250329 535643178 /nfs/dbraw/zinc/64/31/78/535643178.db2.gz KBMOTYPBOHXWNB-HNNXBMFYSA-N 1 2 320.389 3.209 20 5 DGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCCn1cc[nH+]c1 ZINC000735644374 574710520 /nfs/dbraw/zinc/71/05/20/574710520.db2.gz ZGYJUPLYBPBRLD-UHFFFAOYSA-N 1 2 323.736 3.139 20 5 DGBDLO Cc1cccc(CCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])[nH+]1 ZINC000804774341 617666316 /nfs/dbraw/zinc/66/63/16/617666316.db2.gz IUHYOSYDPUEUPM-UHFFFAOYSA-N 1 2 316.317 3.251 20 5 DGBDLO Cc1ccc(N2CCC(Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000895349715 618600448 /nfs/dbraw/zinc/60/04/48/618600448.db2.gz BLDJLJXXWYMZOO-UHFFFAOYSA-N 1 2 312.373 3.379 20 5 DGBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3nccn4c[nH+]cc34)C2)cc1 ZINC000894064778 618702967 /nfs/dbraw/zinc/70/29/67/618702967.db2.gz XIPRMJRUWWZONP-AWEZNQCLSA-N 1 2 323.356 3.022 20 5 DGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(F)CC2)c1 ZINC000895551512 618798054 /nfs/dbraw/zinc/79/80/54/618798054.db2.gz YBZIICUKQBAMQS-UHFFFAOYSA-N 1 2 304.268 3.130 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000896283198 618896638 /nfs/dbraw/zinc/89/66/38/618896638.db2.gz NQHBMGPHBRYKIM-UHFFFAOYSA-N 1 2 323.805 3.483 20 5 DGBDLO Cc1c([C@@H](C)[NH2+][C@H](c2ncccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000903332240 619762719 /nfs/dbraw/zinc/76/27/19/619762719.db2.gz MBRAAFFWSWJWHK-WBMJQRKESA-N 1 2 312.373 3.495 20 5 DGBDLO COc1cccc([C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc2Cl)c1 ZINC000905131999 619974365 /nfs/dbraw/zinc/97/43/65/619974365.db2.gz JKGIBGDTFWZNPH-MRXNPFEDSA-N 1 2 320.776 3.304 20 5 DGBDLO CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000754414440 621509565 /nfs/dbraw/zinc/50/95/65/621509565.db2.gz ICTUTRFCXXJESH-DHZHZOJOSA-N 1 2 311.341 3.071 20 5 DGBDLO CC1=CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000755768937 621592333 /nfs/dbraw/zinc/59/23/33/621592333.db2.gz RSOMKOVHFVSKLA-UHFFFAOYSA-N 1 2 305.359 3.481 20 5 DGBDLO CC1=CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000755768937 621592336 /nfs/dbraw/zinc/59/23/36/621592336.db2.gz RSOMKOVHFVSKLA-UHFFFAOYSA-N 1 2 305.359 3.481 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000759915299 621902239 /nfs/dbraw/zinc/90/22/39/621902239.db2.gz NRTHWIKJMOIVPL-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000759915299 621902243 /nfs/dbraw/zinc/90/22/43/621902243.db2.gz NRTHWIKJMOIVPL-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)cc1[N+](=O)[O-] ZINC000866563678 622139561 /nfs/dbraw/zinc/13/95/61/622139561.db2.gz PNPVTVNFHMSLAI-JTQLQIEISA-N 1 2 324.331 3.425 20 5 DGBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000764271721 622186781 /nfs/dbraw/zinc/18/67/81/622186781.db2.gz ADDANJTXZBZNEV-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000766840725 622356276 /nfs/dbraw/zinc/35/62/76/622356276.db2.gz HYJNSOFYIKVOGJ-VIFPVBQESA-N 1 2 322.258 3.127 20 5 DGBDLO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000766840725 622356278 /nfs/dbraw/zinc/35/62/78/622356278.db2.gz HYJNSOFYIKVOGJ-VIFPVBQESA-N 1 2 322.258 3.127 20 5 DGBDLO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031734 622763236 /nfs/dbraw/zinc/76/32/36/622763236.db2.gz LYOJDTMVFSYQMN-MWLCHTKSSA-N 1 2 306.341 3.188 20 5 DGBDLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045222 622772212 /nfs/dbraw/zinc/77/22/12/622772212.db2.gz KEALAYOAMMFZEK-HZMBPMFUSA-N 1 2 322.311 3.257 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ncc(Cl)s1 ZINC000872111363 622813519 /nfs/dbraw/zinc/81/35/19/622813519.db2.gz ALGQHWFARBVLKY-SNVBAGLBSA-N 1 2 309.778 3.482 20 5 DGBDLO Cc1ccc([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000776995399 623483159 /nfs/dbraw/zinc/48/31/59/623483159.db2.gz YYIZZTUMMLAXJJ-GFCCVEGCSA-N 1 2 324.340 3.042 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000876619007 623661009 /nfs/dbraw/zinc/66/10/09/623661009.db2.gz LVXMCPMLVILDFR-CQSZACIVSA-N 1 2 314.389 3.314 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000876619007 623661011 /nfs/dbraw/zinc/66/10/11/623661011.db2.gz LVXMCPMLVILDFR-CQSZACIVSA-N 1 2 314.389 3.314 20 5 DGBDLO Cc1nn(C[NH+]2CCC(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000779861636 623822981 /nfs/dbraw/zinc/82/29/81/623822981.db2.gz XZBJJDMBOIFXHD-UHFFFAOYSA-N 1 2 318.352 3.076 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781352789 624058803 /nfs/dbraw/zinc/05/88/03/624058803.db2.gz HLCYJQQRKNKJBP-LLVKDONJSA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781352789 624058805 /nfs/dbraw/zinc/05/88/05/624058805.db2.gz HLCYJQQRKNKJBP-LLVKDONJSA-N 1 2 320.723 3.452 20 5 DGBDLO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000877827643 624059536 /nfs/dbraw/zinc/05/95/36/624059536.db2.gz GYEMZMAGVKPIOM-NSHDSACASA-N 1 2 318.329 3.215 20 5 DGBDLO CN(C)c1cc(COc2cc([N+](=O)[O-])ccc2Cl)cc[nH+]1 ZINC000782112447 624205638 /nfs/dbraw/zinc/20/56/38/624205638.db2.gz RGLIUAVFUZVKOZ-UHFFFAOYSA-N 1 2 307.737 3.288 20 5 DGBDLO CC1=C[C@H](C)C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000797418211 626141523 /nfs/dbraw/zinc/14/15/23/626141523.db2.gz WUOIJIKLPGMWRY-JTQLQIEISA-N 1 2 320.780 3.453 20 5 DGBDLO CC1=C[C@H](C)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000797418211 626141524 /nfs/dbraw/zinc/14/15/24/626141524.db2.gz WUOIJIKLPGMWRY-JTQLQIEISA-N 1 2 320.780 3.453 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000801991188 626428784 /nfs/dbraw/zinc/42/87/84/626428784.db2.gz KPAWMDXYLAGQFE-JTQLQIEISA-N 1 2 306.696 3.062 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000801991188 626428786 /nfs/dbraw/zinc/42/87/86/626428786.db2.gz KPAWMDXYLAGQFE-JTQLQIEISA-N 1 2 306.696 3.062 20 5 DGBDLO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885946823 627066668 /nfs/dbraw/zinc/06/66/68/627066668.db2.gz RTKNFMBYJLCQHU-UHFFFAOYSA-N 1 2 321.764 3.154 20 5 DGBDLO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885946823 627066671 /nfs/dbraw/zinc/06/66/71/627066671.db2.gz RTKNFMBYJLCQHU-UHFFFAOYSA-N 1 2 321.764 3.154 20 5 DGBDLO COc1c(C)cc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1C ZINC000885980064 627075463 /nfs/dbraw/zinc/07/54/63/627075463.db2.gz SJVPMXFIFZAFBM-UHFFFAOYSA-N 1 2 315.373 3.247 20 5 DGBDLO COc1c(C)cc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1C ZINC000885980064 627075466 /nfs/dbraw/zinc/07/54/66/627075466.db2.gz SJVPMXFIFZAFBM-UHFFFAOYSA-N 1 2 315.373 3.247 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886271959 627128876 /nfs/dbraw/zinc/12/88/76/627128876.db2.gz BPOQPAOEHXVTPX-UHFFFAOYSA-N 1 2 317.345 3.149 20 5 DGBDLO CCc1noc(C)c1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000815146052 627636847 /nfs/dbraw/zinc/63/68/47/627636847.db2.gz MBSWIQZCUAONMB-UHFFFAOYSA-N 1 2 309.753 3.397 20 5 DGBDLO CCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835338705 629909806 /nfs/dbraw/zinc/90/98/06/629909806.db2.gz BPVYOPPFJLWWEG-NSHDSACASA-N 1 2 303.318 3.126 20 5 DGBDLO CCC(CC)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178048970 655953433 /nfs/dbraw/zinc/95/34/33/655953433.db2.gz QWZBBODHVJRRGO-UHFFFAOYSA-N 1 2 303.318 3.126 20 5 DGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H]1C ZINC000072874856 656438425 /nfs/dbraw/zinc/43/84/25/656438425.db2.gz VLYWWKZVZYQALW-UWVGGRQHSA-N 1 2 311.769 3.060 20 5 DGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H]1C ZINC000072874856 656438426 /nfs/dbraw/zinc/43/84/26/656438426.db2.gz VLYWWKZVZYQALW-UWVGGRQHSA-N 1 2 311.769 3.060 20 5 DGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cccnc1=S ZINC000057103860 659003562 /nfs/dbraw/zinc/00/35/62/659003562.db2.gz UFWWFHYOOWUGNX-UHFFFAOYSA-N 1 2 318.402 3.389 20 5 DGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cccnc1=S ZINC000057103860 659003566 /nfs/dbraw/zinc/00/35/66/659003566.db2.gz UFWWFHYOOWUGNX-UHFFFAOYSA-N 1 2 318.402 3.389 20 5 DGBDLO COc1ccc2c(c1)C[N@@H+](CC[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC000929836171 661343249 /nfs/dbraw/zinc/34/32/49/661343249.db2.gz VTASDDPPTAXTJJ-GOSISDBHSA-N 1 2 312.369 3.071 20 5 DGBDLO COc1ccc2c(c1)C[N@H+](CC[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC000929836171 661343251 /nfs/dbraw/zinc/34/32/51/661343251.db2.gz VTASDDPPTAXTJJ-GOSISDBHSA-N 1 2 312.369 3.071 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000934003869 661673043 /nfs/dbraw/zinc/67/30/43/661673043.db2.gz JZUSFADSCUWYEC-UHFFFAOYSA-N 1 2 302.330 3.361 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934003869 661673044 /nfs/dbraw/zinc/67/30/44/661673044.db2.gz JZUSFADSCUWYEC-UHFFFAOYSA-N 1 2 302.330 3.361 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nc3c(s2)CCCC3)cs1 ZINC000719526580 662291468 /nfs/dbraw/zinc/29/14/68/662291468.db2.gz ARLSGWMZCVTHGH-UHFFFAOYSA-N 1 2 309.416 3.281 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Cl)[nH+]c1C ZINC000895194252 685308939 /nfs/dbraw/zinc/30/89/39/685308939.db2.gz YZFRKIJNPZEZHP-GFCCVEGCSA-N 1 2 321.768 3.325 20 5 DGBDLO C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)Cn1cc[nH+]c1 ZINC001331535516 1178238469 /nfs/dbraw/zinc/23/84/69/1178238469.db2.gz HGZZXGFUDQKHEJ-GFCCVEGCSA-N 1 2 311.345 3.088 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001346608922 1179726068 /nfs/dbraw/zinc/72/60/68/1179726068.db2.gz OJRVQRQFLUCTGM-UHFFFAOYSA-N 1 2 317.345 3.000 20 5 DGBDLO Nc1cc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cc[nH+]1 ZINC001458773965 1182552852 /nfs/dbraw/zinc/55/28/52/1182552852.db2.gz HZBKPQRUWBCVMA-UHFFFAOYSA-N 1 2 318.383 3.474 20 5 DGBDLO CC(C)(C)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1Br ZINC001459747059 1182611875 /nfs/dbraw/zinc/61/18/75/1182611875.db2.gz OITKFSOBWKDOLB-UHFFFAOYSA-N 1 2 315.211 3.326 20 5 DGBDLO CC(C)(C)[N@H+](CC[N+](=O)[O-])Cc1ccccc1Br ZINC001459747059 1182611874 /nfs/dbraw/zinc/61/18/74/1182611874.db2.gz OITKFSOBWKDOLB-UHFFFAOYSA-N 1 2 315.211 3.326 20 5 DGBDLO CC(C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001465720124 1183166210 /nfs/dbraw/zinc/16/62/10/1183166210.db2.gz XAWHAESJYSVYCY-UHFFFAOYSA-N 1 2 324.340 3.136 20 5 DGBDLO Cc1cc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc(C)[nH+]1 ZINC001638320935 1194712229 /nfs/dbraw/zinc/71/22/29/1194712229.db2.gz QEAVDNHGDJCSQV-UHFFFAOYSA-N 1 2 324.340 3.018 20 5 DGBDLO CCCC[N@H+](C)c1ccc(Nc2c([N+](=O)[O-])cnn2C)cc1 ZINC001642232308 1194895136 /nfs/dbraw/zinc/89/51/36/1194895136.db2.gz HCBMNDIFSGCGRB-UHFFFAOYSA-N 1 2 303.366 3.308 20 5 DGBDLO CCCC[N@@H+](C)c1ccc(Nc2c([N+](=O)[O-])cnn2C)cc1 ZINC001642232308 1194895139 /nfs/dbraw/zinc/89/51/39/1194895139.db2.gz HCBMNDIFSGCGRB-UHFFFAOYSA-N 1 2 303.366 3.308 20 5 DGBDLO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001645070467 1195154363 /nfs/dbraw/zinc/15/43/63/1195154363.db2.gz VKHBIPXRBCCACS-NSHDSACASA-N 1 2 324.340 3.094 20 5 DGBDLO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001654791772 1195841649 /nfs/dbraw/zinc/84/16/49/1195841649.db2.gz VLFDLDLHNDMEQW-JTQLQIEISA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001654791772 1195841653 /nfs/dbraw/zinc/84/16/53/1195841653.db2.gz VLFDLDLHNDMEQW-JTQLQIEISA-N 1 2 320.780 3.166 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001655601811 1195938556 /nfs/dbraw/zinc/93/85/56/1195938556.db2.gz IBFFHFCSDLTCPZ-LBPRGKRZSA-N 1 2 320.336 3.383 20 5 DGBDLO Cc1ccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001655601811 1195938557 /nfs/dbraw/zinc/93/85/57/1195938557.db2.gz IBFFHFCSDLTCPZ-LBPRGKRZSA-N 1 2 320.336 3.383 20 5 DGBDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC001657087803 1196103234 /nfs/dbraw/zinc/10/32/34/1196103234.db2.gz ODYLOBVTXITEHJ-LLVKDONJSA-N 1 2 317.393 3.250 20 5 DGBDLO COc1ccc(C[NH2+]Cc2ncc(C(C)C)s2)cc1[N+](=O)[O-] ZINC001657136803 1196109571 /nfs/dbraw/zinc/10/95/71/1196109571.db2.gz JRCFAIPGXVLCDK-UHFFFAOYSA-N 1 2 321.402 3.473 20 5 DGBDLO Cc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC001657772246 1196177332 /nfs/dbraw/zinc/17/73/32/1196177332.db2.gz BZFWEDRFVMVWTA-ZDUSSCGKSA-N 1 2 320.295 3.405 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2cccc(F)c2)c(Cl)c1 ZINC001657899433 1196191360 /nfs/dbraw/zinc/19/13/60/1196191360.db2.gz KBMBCNAGFAVDNK-HNNXBMFYSA-N 1 2 324.739 3.211 20 5 DGBDLO Nc1cc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc[nH+]1 ZINC001167617873 1082610930 /nfs/dbraw/zinc/61/09/30/1082610930.db2.gz ZJYVDVSIRKTALA-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO CN(C)c1ccc(Nc2ccc3cnccc3c2[N+](=O)[O-])c[nH+]1 ZINC001184730266 1084255775 /nfs/dbraw/zinc/25/57/75/1084255775.db2.gz TUOLSCQAGNNAIK-UHFFFAOYSA-N 1 2 309.329 3.348 20 5 DGBDLO c1cnc2c(c1)ccc1ccc(-c3noc(C[NH+]4CCC4)n3)nc12 ZINC001212095551 1087196633 /nfs/dbraw/zinc/19/66/33/1087196633.db2.gz NCHPOHNGDSJSPV-UHFFFAOYSA-N 1 2 317.352 3.039 20 5 DGBDLO Cc1c(F)cc([N+](=O)[O-])cc1NCCc1cn2ccccc2[nH+]1 ZINC001169010754 1092487629 /nfs/dbraw/zinc/48/76/29/1092487629.db2.gz FVSNABIUKBODKV-UHFFFAOYSA-N 1 2 314.320 3.345 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001169045500 1092505678 /nfs/dbraw/zinc/50/56/78/1092505678.db2.gz JJHKVSLQDIVIDQ-DAXOMENPSA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001169045500 1092505688 /nfs/dbraw/zinc/50/56/88/1092505688.db2.gz JJHKVSLQDIVIDQ-DAXOMENPSA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@H]2c2ccccc2Cl)C1 ZINC001169047627 1092507267 /nfs/dbraw/zinc/50/72/67/1092507267.db2.gz RUYIEEPNGVJTPU-IOASZLSFSA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@H]2c2ccccc2Cl)C1 ZINC001169047627 1092507276 /nfs/dbraw/zinc/50/72/76/1092507276.db2.gz RUYIEEPNGVJTPU-IOASZLSFSA-N 1 2 324.808 3.159 20 5 DGBDLO Nc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC001209936826 1092988498 /nfs/dbraw/zinc/98/84/98/1092988498.db2.gz WGCGLGJLHNHWSN-UHFFFAOYSA-N 1 2 309.329 3.165 20 5 DGBDLO O=[N+]([O-])c1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1F ZINC001210382519 1093148388 /nfs/dbraw/zinc/14/83/88/1093148388.db2.gz ZEHPZCXVRUQWHK-UHFFFAOYSA-N 1 2 302.309 3.473 20 5 DGBDLO Cc1c(Nc2cccc3[nH+]ccn32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291483 1093447287 /nfs/dbraw/zinc/44/72/87/1093447287.db2.gz ZZNPYXPGCDEIAK-UHFFFAOYSA-N 1 2 313.273 3.203 20 5 DGBDLO Cc1ccc(CC2CC[NH+](Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC001337592431 1095029402 /nfs/dbraw/zinc/02/94/02/1095029402.db2.gz XVXFOERZQXCRAJ-UHFFFAOYSA-N 1 2 314.389 3.012 20 5 DGBDLO O=[N+]([O-])c1ccc([C@@H](OCCn2cc[nH+]c2)C(F)(F)F)cc1 ZINC001222139729 1095451972 /nfs/dbraw/zinc/45/19/72/1095451972.db2.gz VPNYZVRGBCQZIP-GFCCVEGCSA-N 1 2 315.251 3.112 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC3(CCC3)O1)C2 ZINC001340603444 1095986333 /nfs/dbraw/zinc/98/63/33/1095986333.db2.gz RNVHWIDPRJHFLR-INIZCTEOSA-N 1 2 302.374 3.402 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCCC3(CCC3)O1)C2 ZINC001340603444 1095986341 /nfs/dbraw/zinc/98/63/41/1095986341.db2.gz RNVHWIDPRJHFLR-INIZCTEOSA-N 1 2 302.374 3.402 20 5 DGBDLO CC(C)(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311060 1096658461 /nfs/dbraw/zinc/65/84/61/1096658461.db2.gz KOIKSXMEVKDHGQ-UHFFFAOYSA-N 1 2 318.295 3.475 20 5 DGBDLO CCNc1ccc(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])c[nH+]1 ZINC001187920391 1099636333 /nfs/dbraw/zinc/63/63/33/1099636333.db2.gz GQJBLHSFBHSNEZ-UHFFFAOYSA-N 1 2 318.333 3.182 20 5 DGBDLO CCc1cn(Cc2ccc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC001190102671 1100198944 /nfs/dbraw/zinc/19/89/44/1100198944.db2.gz AQZLMZYULBYNKH-UHFFFAOYSA-N 1 2 310.151 3.165 20 5 DGBDLO C[C@@H](O)[C@H]([NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247617667 1104937798 /nfs/dbraw/zinc/93/77/98/1104937798.db2.gz SJLFNBRMSRSBGT-DIFFPNOSSA-N 1 2 319.364 3.424 20 5 DGBDLO Nc1ccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)cc1[N+](=O)[O-] ZINC001250950791 1105609330 /nfs/dbraw/zinc/60/93/30/1105609330.db2.gz GNJVKFYZHMLTDE-UHFFFAOYSA-N 1 2 323.356 3.321 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cscn2)cc(C(F)(F)F)c1 ZINC000278760007 214381780 /nfs/dbraw/zinc/38/17/80/214381780.db2.gz NXVWGFCYGYHPPE-UHFFFAOYSA-N 1 2 317.292 3.360 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000088605299 185259637 /nfs/dbraw/zinc/25/96/37/185259637.db2.gz MRGRQLFZYHIFKE-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000088605299 185259638 /nfs/dbraw/zinc/25/96/38/185259638.db2.gz MRGRQLFZYHIFKE-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066847917 432022772 /nfs/dbraw/zinc/02/27/72/432022772.db2.gz RZVVITPGOGOGHC-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066847917 432022775 /nfs/dbraw/zinc/02/27/75/432022775.db2.gz RZVVITPGOGOGHC-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000174479243 198339979 /nfs/dbraw/zinc/33/99/79/198339979.db2.gz LZBYZSJKNRKSSQ-OAHLLOKOSA-N 1 2 304.346 3.228 20 5 DGBDLO C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000179316217 432053968 /nfs/dbraw/zinc/05/39/68/432053968.db2.gz BXABHOWORWLFLQ-UHFFFAOYSA-N 1 2 302.378 3.247 20 5 DGBDLO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000179316217 432053970 /nfs/dbraw/zinc/05/39/70/432053970.db2.gz BXABHOWORWLFLQ-UHFFFAOYSA-N 1 2 302.378 3.247 20 5 DGBDLO Cc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000179814278 432072200 /nfs/dbraw/zinc/07/22/00/432072200.db2.gz MQKGKQDDHVYNJA-NSHDSACASA-N 1 2 300.318 3.181 20 5 DGBDLO C[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134142605 290592500 /nfs/dbraw/zinc/59/25/00/290592500.db2.gz QIZBCVZGDPNXLG-FZMZJTMJSA-N 1 2 304.325 3.018 20 5 DGBDLO CCCCc1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180392305 199153458 /nfs/dbraw/zinc/15/34/58/199153458.db2.gz NSEWQMSCKNDGAK-NSHDSACASA-N 1 2 304.350 3.171 20 5 DGBDLO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000449570487 240295106 /nfs/dbraw/zinc/29/51/06/240295106.db2.gz JUEYJUMUNBCNHJ-ZANVPECISA-N 1 2 306.753 3.240 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cn2ccccc2n1)C1CC1 ZINC000135231526 432107419 /nfs/dbraw/zinc/10/74/19/432107419.db2.gz MGJGOVVNBKPYEB-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cn2ccccc2n1)C1CC1 ZINC000135231526 432107422 /nfs/dbraw/zinc/10/74/22/432107422.db2.gz MGJGOVVNBKPYEB-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO Cc1cc(NCCC(C)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450552491 240762461 /nfs/dbraw/zinc/76/24/61/240762461.db2.gz IBSNDUZJAHUEMV-UHFFFAOYSA-N 1 2 322.315 3.239 20 5 DGBDLO C[C@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000451107564 241008004 /nfs/dbraw/zinc/00/80/04/241008004.db2.gz ZNGIAKJQNAHPKE-NSHDSACASA-N 1 2 316.361 3.486 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCCNc2cccc[nH+]2)c2ncccc12 ZINC000180981537 432110272 /nfs/dbraw/zinc/11/02/72/432110272.db2.gz YHGAUIKPYBDJJV-UHFFFAOYSA-N 1 2 323.356 3.452 20 5 DGBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000493690942 246041541 /nfs/dbraw/zinc/04/15/41/246041541.db2.gz LXMARSIFSLESFW-SREVYHEPSA-N 1 2 320.736 3.117 20 5 DGBDLO Cc1[nH+]c2ccccn2c1COc1cc(F)cc([N+](=O)[O-])c1 ZINC000135341021 284471896 /nfs/dbraw/zinc/47/18/96/284471896.db2.gz ZEEWVJWWJWQSIQ-UHFFFAOYSA-N 1 2 301.277 3.269 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000266542979 296240651 /nfs/dbraw/zinc/24/06/51/296240651.db2.gz QPRUXIBBFVYMDW-SMDDNHRTSA-N 1 2 319.386 3.186 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000266542979 296240652 /nfs/dbraw/zinc/24/06/52/296240652.db2.gz QPRUXIBBFVYMDW-SMDDNHRTSA-N 1 2 319.386 3.186 20 5 DGBDLO Cc1c(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000285350606 218391892 /nfs/dbraw/zinc/39/18/92/218391892.db2.gz LHIJAGAJXXGWJI-MRXNPFEDSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1c(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000285350606 218391895 /nfs/dbraw/zinc/39/18/95/218391895.db2.gz LHIJAGAJXXGWJI-MRXNPFEDSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000269035059 207183415 /nfs/dbraw/zinc/18/34/15/207183415.db2.gz SJFHMXGRPZCTLB-UHFFFAOYSA-N 1 2 311.345 3.068 20 5 DGBDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000273202218 210579692 /nfs/dbraw/zinc/57/96/92/210579692.db2.gz SOCGAXRROKDMSE-JTQLQIEISA-N 1 2 306.391 3.168 20 5 DGBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc[nH+]c2ccncc21 ZINC000337838707 253181380 /nfs/dbraw/zinc/18/13/80/253181380.db2.gz YLQOVHXNBZYPMW-UHFFFAOYSA-N 1 2 308.341 3.217 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000339025429 253391557 /nfs/dbraw/zinc/39/15/57/253391557.db2.gz KIKAJJPHRMJRHU-UHFFFAOYSA-N 1 2 320.389 3.226 20 5 DGBDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255276376 285141277 /nfs/dbraw/zinc/14/12/77/285141277.db2.gz NXLTXPQIDFYFTI-SBSDFTTDSA-N 1 2 318.373 3.024 20 5 DGBDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255276376 285141281 /nfs/dbraw/zinc/14/12/81/285141281.db2.gz NXLTXPQIDFYFTI-SBSDFTTDSA-N 1 2 318.373 3.024 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1[C@@H]1CCCO1 ZINC000289786107 221224153 /nfs/dbraw/zinc/22/41/53/221224153.db2.gz MYONPXGHYNXPJZ-LSDHHAIUSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1[C@@H]1CCCO1 ZINC000289786107 221224155 /nfs/dbraw/zinc/22/41/55/221224155.db2.gz MYONPXGHYNXPJZ-LSDHHAIUSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1[C@H]1CCCO1 ZINC000289922936 221318819 /nfs/dbraw/zinc/31/88/19/221318819.db2.gz UUYWEGCEXLGJAL-CABCVRRESA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1[C@H]1CCCO1 ZINC000289922936 221318820 /nfs/dbraw/zinc/31/88/20/221318820.db2.gz UUYWEGCEXLGJAL-CABCVRRESA-N 1 2 308.353 3.123 20 5 DGBDLO COC[C@]1(C)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413329829 533228926 /nfs/dbraw/zinc/22/89/26/533228926.db2.gz ORAKFRJPJPNREN-MRXNPFEDSA-N 1 2 301.346 3.006 20 5 DGBDLO CO[C@H]1CCC[C@@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413218494 533238439 /nfs/dbraw/zinc/23/84/39/533238439.db2.gz AUAOWMRBIIBMML-DOMZBBRYSA-N 1 2 301.346 3.370 20 5 DGBDLO Cc1cc(N2CCC[C@H]2CF)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292632980 400095002 /nfs/dbraw/zinc/09/50/02/400095002.db2.gz AIDFPLNLKVEWEN-AWEZNQCLSA-N 1 2 316.336 3.299 20 5 DGBDLO Cc1noc(C[N@H+](Cc2cccc(F)c2)C2CC2)c1[N+](=O)[O-] ZINC000595293308 400118798 /nfs/dbraw/zinc/11/87/98/400118798.db2.gz JSIDNYMILRMXAZ-UHFFFAOYSA-N 1 2 305.309 3.195 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c1[N+](=O)[O-] ZINC000595293308 400118802 /nfs/dbraw/zinc/11/88/02/400118802.db2.gz JSIDNYMILRMXAZ-UHFFFAOYSA-N 1 2 305.309 3.195 20 5 DGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000003536904 400083404 /nfs/dbraw/zinc/08/34/04/400083404.db2.gz BWPGDADAOVZJHF-JTQLQIEISA-N 1 2 311.769 3.061 20 5 DGBDLO CC(C)([NH2+]Cc1cc(C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000595508607 400172788 /nfs/dbraw/zinc/17/27/88/400172788.db2.gz CLYPNVMHJRSQMD-UHFFFAOYSA-N 1 2 301.346 3.485 20 5 DGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000595297721 400122053 /nfs/dbraw/zinc/12/20/53/400122053.db2.gz NCSVVNJZTJYHKK-ZDUSSCGKSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000595297721 400122059 /nfs/dbraw/zinc/12/20/59/400122059.db2.gz NCSVVNJZTJYHKK-ZDUSSCGKSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1[N+](=O)[O-] ZINC000595322927 400127304 /nfs/dbraw/zinc/12/73/04/400127304.db2.gz PWPGWHCIAIQAMR-UHFFFAOYSA-N 1 2 319.336 3.443 20 5 DGBDLO Cc1noc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1[N+](=O)[O-] ZINC000595322927 400127309 /nfs/dbraw/zinc/12/73/09/400127309.db2.gz PWPGWHCIAIQAMR-UHFFFAOYSA-N 1 2 319.336 3.443 20 5 DGBDLO COc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)sn1 ZINC000595351813 400133364 /nfs/dbraw/zinc/13/33/64/400133364.db2.gz HXXHRMYHDYJFQL-UHFFFAOYSA-N 1 2 319.386 3.225 20 5 DGBDLO COc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)sn1 ZINC000595351813 400133370 /nfs/dbraw/zinc/13/33/70/400133370.db2.gz HXXHRMYHDYJFQL-UHFFFAOYSA-N 1 2 319.386 3.225 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000595397955 400141349 /nfs/dbraw/zinc/14/13/49/400141349.db2.gz NIZJQNDVYCGEMU-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000595397955 400141357 /nfs/dbraw/zinc/14/13/57/400141357.db2.gz NIZJQNDVYCGEMU-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000595406641 400141664 /nfs/dbraw/zinc/14/16/64/400141664.db2.gz ACQFBWBYLKZGJK-ZDUSSCGKSA-N 1 2 305.334 3.141 20 5 DGBDLO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000092040717 400150449 /nfs/dbraw/zinc/15/04/49/400150449.db2.gz MPXAGXAAAJBULM-HOTGVXAUSA-N 1 2 320.389 3.080 20 5 DGBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000092040717 400150450 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CCOc1cc(C[N@H+]2CC3(CCC3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000595681027 400225516 /nfs/dbraw/zinc/22/55/16/400225516.db2.gz JOJINDGFYSJYCB-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO O=[N+]([O-])c1ccc2nc(N3CCC[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000610276464 400231903 /nfs/dbraw/zinc/23/19/03/400231903.db2.gz YPEYWLVMRQVHSJ-HNNXBMFYSA-N 1 2 323.356 3.181 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822678 400270743 /nfs/dbraw/zinc/27/07/43/400270743.db2.gz ZZWIUBDXLKXCPZ-UHFFFAOYSA-N 1 2 320.364 3.125 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822678 400270750 /nfs/dbraw/zinc/27/07/50/400270750.db2.gz ZZWIUBDXLKXCPZ-UHFFFAOYSA-N 1 2 320.364 3.125 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000595910725 400292551 /nfs/dbraw/zinc/29/25/51/400292551.db2.gz XONGWYNFEOVOFT-UHFFFAOYSA-N 1 2 310.353 3.422 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595910725 400292552 /nfs/dbraw/zinc/29/25/52/400292552.db2.gz XONGWYNFEOVOFT-UHFFFAOYSA-N 1 2 310.353 3.422 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595916171 400295070 /nfs/dbraw/zinc/29/50/70/400295070.db2.gz JWINMKPMCMQCFM-NHYWBVRUSA-N 1 2 314.332 3.320 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595916171 400295075 /nfs/dbraw/zinc/29/50/75/400295075.db2.gz JWINMKPMCMQCFM-NHYWBVRUSA-N 1 2 314.332 3.320 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595920481 400295110 /nfs/dbraw/zinc/29/51/10/400295110.db2.gz TXCMOLWIWXYDAB-ZETOZRRWSA-N 1 2 314.332 3.400 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595920481 400295117 /nfs/dbraw/zinc/29/51/17/400295117.db2.gz TXCMOLWIWXYDAB-ZETOZRRWSA-N 1 2 314.332 3.400 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595916169 400295440 /nfs/dbraw/zinc/29/54/40/400295440.db2.gz 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DGBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2cccs2)CC1 ZINC000341344534 433034341 /nfs/dbraw/zinc/03/43/41/433034341.db2.gz OEYZHJWBNFILOU-UHFFFAOYSA-N 1 2 321.377 3.118 20 5 DGBDLO Cc1cc(F)cc2c1C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000337420355 433229612 /nfs/dbraw/zinc/22/96/12/433229612.db2.gz WCPQAHFVUGKCDM-UHFFFAOYSA-N 1 2 316.332 3.306 20 5 DGBDLO Cc1cc(F)cc2c1C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000337420355 433229621 /nfs/dbraw/zinc/22/96/21/433229621.db2.gz WCPQAHFVUGKCDM-UHFFFAOYSA-N 1 2 316.332 3.306 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[C@H]3CCCCO3)c2c1 ZINC000413233601 433266242 /nfs/dbraw/zinc/26/62/42/433266242.db2.gz OLEMKYSYJNNUHA-OAHLLOKOSA-N 1 2 315.373 3.904 20 5 DGBDLO COC1(C)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413218841 433268089 /nfs/dbraw/zinc/26/80/89/433268089.db2.gz BULRFJRFSYNWOV-UHFFFAOYSA-N 1 2 301.346 3.148 20 5 DGBDLO CCc1cc(N)nc(S[C@@H](C)c2ccccc2[N+](=O)[O-])[nH+]1 ZINC000447785205 433274162 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20 5 DGBDLO C[C@H]1COCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339052147 433334332 /nfs/dbraw/zinc/33/43/32/433334332.db2.gz KYMRUGGAOQRTHA-SNVBAGLBSA-N 1 2 318.295 3.082 20 5 DGBDLO C[C@H]1COCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339052147 433334342 /nfs/dbraw/zinc/33/43/42/433334342.db2.gz KYMRUGGAOQRTHA-SNVBAGLBSA-N 1 2 318.295 3.082 20 5 DGBDLO Cc1cc(Nc2nc3sccn3c2[N+](=O)[O-])ccc1[NH+](C)C ZINC000301067000 433401346 /nfs/dbraw/zinc/40/13/46/433401346.db2.gz FCQCCBKKYJVNKA-UHFFFAOYSA-N 1 2 317.374 3.422 20 5 DGBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301189370 433448272 /nfs/dbraw/zinc/44/82/72/433448272.db2.gz LOSJTQPWZALNOW-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DGBDLO Cc1c[nH+]cc(CCc2nc(Cc3ccccc3[N+](=O)[O-])no2)c1 ZINC000426407067 433485985 /nfs/dbraw/zinc/48/59/85/433485985.db2.gz SMEDORNWWWLZOC-UHFFFAOYSA-N 1 2 324.340 3.057 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](CF)C3)o2)cc1 ZINC000414471898 433642105 /nfs/dbraw/zinc/64/21/05/433642105.db2.gz QFGKWHRTASCMMV-OAHLLOKOSA-N 1 2 320.320 3.025 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H](CF)C3)o2)cc1 ZINC000414471898 433642115 /nfs/dbraw/zinc/64/21/15/433642115.db2.gz QFGKWHRTASCMMV-OAHLLOKOSA-N 1 2 320.320 3.025 20 5 DGBDLO Cc1nc(NCCNc2ccc3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000301663104 433662868 /nfs/dbraw/zinc/66/28/68/433662868.db2.gz VIJCJUNWZJJHDM-UHFFFAOYSA-N 1 2 323.356 3.370 20 5 DGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000283121175 433668488 /nfs/dbraw/zinc/66/84/88/433668488.db2.gz MWWJOCAJHAOPSI-CQSZACIVSA-N 1 2 322.336 3.367 20 5 DGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000283121170 433670838 /nfs/dbraw/zinc/67/08/38/433670838.db2.gz MWWJOCAJHAOPSI-AWEZNQCLSA-N 1 2 322.336 3.367 20 5 DGBDLO C[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293331168 433701107 /nfs/dbraw/zinc/70/11/07/433701107.db2.gz GMIHTJJSDIIUAO-MRXNPFEDSA-N 1 2 322.311 3.038 20 5 DGBDLO C[N@H+](Cc1c(F)cccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293331168 433701115 /nfs/dbraw/zinc/70/11/15/433701115.db2.gz GMIHTJJSDIIUAO-MRXNPFEDSA-N 1 2 322.311 3.038 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccsc2C1 ZINC000430195894 433790034 /nfs/dbraw/zinc/79/00/34/433790034.db2.gz PDYGNPMHTSHUPN-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccsc2C1 ZINC000430195894 433790042 /nfs/dbraw/zinc/79/00/42/433790042.db2.gz PDYGNPMHTSHUPN-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO Cc1cnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000283890424 433792132 /nfs/dbraw/zinc/79/21/32/433792132.db2.gz BBLOPDPUMSRDQJ-VIFPVBQESA-N 1 2 322.346 3.119 20 5 DGBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000351966780 433820019 /nfs/dbraw/zinc/82/00/19/433820019.db2.gz DYKCHASGJHTLLX-LSDHHAIUSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000351966780 433820025 /nfs/dbraw/zinc/82/00/25/433820025.db2.gz DYKCHASGJHTLLX-LSDHHAIUSA-N 1 2 308.353 3.123 20 5 DGBDLO COC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000285543344 433991134 /nfs/dbraw/zinc/99/11/34/433991134.db2.gz HUDIMNQNUTWIDV-INIZCTEOSA-N 1 2 322.311 3.350 20 5 DGBDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC000285649384 434028507 /nfs/dbraw/zinc/02/85/07/434028507.db2.gz MFINAHMUTARANE-AWEZNQCLSA-N 1 2 302.334 3.013 20 5 DGBDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC000285649384 434028517 /nfs/dbraw/zinc/02/85/17/434028517.db2.gz MFINAHMUTARANE-AWEZNQCLSA-N 1 2 302.334 3.013 20 5 DGBDLO C[N@H+](CCOc1ccccc1F)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505584228 294243773 /nfs/dbraw/zinc/24/37/73/294243773.db2.gz FOCWCEANUICSMF-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO C[N@@H+](CCOc1ccccc1F)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505584228 294243775 /nfs/dbraw/zinc/24/37/75/294243775.db2.gz FOCWCEANUICSMF-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)c2ncccc12 ZINC000321077800 434245256 /nfs/dbraw/zinc/24/52/56/434245256.db2.gz BANGNMSFXKIKLR-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csc(Cl)n1 ZINC000295399510 434345067 /nfs/dbraw/zinc/34/50/67/434345067.db2.gz RSDQPGRYNOCPSN-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csc(Cl)n1 ZINC000295399510 434345082 /nfs/dbraw/zinc/34/50/82/434345082.db2.gz RSDQPGRYNOCPSN-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1[nH]cc[nH+]1 ZINC000439640723 434635166 /nfs/dbraw/zinc/63/51/66/434635166.db2.gz DRHIELIAOOVMJF-SECBINFHSA-N 1 2 312.276 3.483 20 5 DGBDLO CC[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000440304263 434692254 /nfs/dbraw/zinc/69/22/54/434692254.db2.gz MBCRRWZCARFILP-ZDUSSCGKSA-N 1 2 316.361 3.322 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)c(C)n1 ZINC000459657840 434649945 /nfs/dbraw/zinc/64/99/45/434649945.db2.gz CBFCZNQUJYGRDW-UHFFFAOYSA-N 1 2 315.373 3.295 20 5 DGBDLO CCOC[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000459697732 434667962 /nfs/dbraw/zinc/66/79/62/434667962.db2.gz BYPFGWOTTUSESZ-LLVKDONJSA-N 1 2 314.332 3.264 20 5 DGBDLO CCOC[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000459697732 434667968 /nfs/dbraw/zinc/66/79/68/434667968.db2.gz BYPFGWOTTUSESZ-LLVKDONJSA-N 1 2 314.332 3.264 20 5 DGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000371942306 434774735 /nfs/dbraw/zinc/77/47/35/434774735.db2.gz DTAWHIGNCUBZNW-INIZCTEOSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000371942306 434774740 /nfs/dbraw/zinc/77/47/40/434774740.db2.gz DTAWHIGNCUBZNW-INIZCTEOSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000372159393 434806417 /nfs/dbraw/zinc/80/64/17/434806417.db2.gz ANGVXMYDEJZWTB-ZBFHGGJFSA-N 1 2 322.405 3.090 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000372159393 434806420 /nfs/dbraw/zinc/80/64/20/434806420.db2.gz ANGVXMYDEJZWTB-ZBFHGGJFSA-N 1 2 322.405 3.090 20 5 DGBDLO CN(CCc1ccccc1[N+](=O)[O-])c1[nH+]c2ccccc2n1C ZINC000553245372 434883826 /nfs/dbraw/zinc/88/38/26/434883826.db2.gz SDMPTMUFEXJLKU-UHFFFAOYSA-N 1 2 310.357 3.160 20 5 DGBDLO CC(C)([NH2+]Cc1cn2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC000492222303 434938026 /nfs/dbraw/zinc/93/80/26/434938026.db2.gz CWJPNUACVIVDPW-UHFFFAOYSA-N 1 2 310.357 3.267 20 5 DGBDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000463251431 434948474 /nfs/dbraw/zinc/94/84/74/434948474.db2.gz XCBWMNWTBJFJKO-UHFFFAOYSA-N 1 2 314.320 3.716 20 5 DGBDLO Cc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000538752498 435519892 /nfs/dbraw/zinc/51/98/92/435519892.db2.gz PYQWVFJHHVDWPU-UHFFFAOYSA-N 1 2 322.405 3.455 20 5 DGBDLO Cc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000538752498 435519894 /nfs/dbraw/zinc/51/98/94/435519894.db2.gz PYQWVFJHHVDWPU-UHFFFAOYSA-N 1 2 322.405 3.455 20 5 DGBDLO Cc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)no1 ZINC000518277594 435632235 /nfs/dbraw/zinc/63/22/35/435632235.db2.gz YEFPHVGFUJIBOQ-UHFFFAOYSA-N 1 2 313.313 3.441 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000570680392 435640029 /nfs/dbraw/zinc/64/00/29/435640029.db2.gz VWIFIUCRUUXQGD-HNNXBMFYSA-N 1 2 310.781 3.249 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000570680392 435640033 /nfs/dbraw/zinc/64/00/33/435640033.db2.gz VWIFIUCRUUXQGD-HNNXBMFYSA-N 1 2 310.781 3.249 20 5 DGBDLO Cc1ccc(Cc2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000570603203 315660535 /nfs/dbraw/zinc/66/05/35/315660535.db2.gz PSZKTFKMSIZNKK-LBPRGKRZSA-N 1 2 324.340 3.424 20 5 DGBDLO Cc1cnc(OCCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000573157332 315845018 /nfs/dbraw/zinc/84/50/18/315845018.db2.gz PELPGRKQMGTBOB-UHFFFAOYSA-N 1 2 312.329 3.186 20 5 DGBDLO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180419062 323229556 /nfs/dbraw/zinc/22/95/56/323229556.db2.gz OALDHYUYXMJRPU-JTQLQIEISA-N 1 2 314.301 3.089 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000181527999 323257805 /nfs/dbraw/zinc/25/78/05/323257805.db2.gz AJMVHEFUJHPTFG-SFHVURJKSA-N 1 2 312.369 3.038 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000181527999 323257808 /nfs/dbraw/zinc/25/78/08/323257808.db2.gz AJMVHEFUJHPTFG-SFHVURJKSA-N 1 2 312.369 3.038 20 5 DGBDLO CCOc1cccc(NCCc2ccc(C)[nH+]c2)c1[N+](=O)[O-] ZINC000184114446 323355003 /nfs/dbraw/zinc/35/50/03/323355003.db2.gz RCXXLGJUIMGIIC-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO Cc1c(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cccc1[N+](=O)[O-] ZINC000185181300 323382874 /nfs/dbraw/zinc/38/28/74/323382874.db2.gz POJQSTAKHWXNHW-LLVKDONJSA-N 1 2 318.377 3.435 20 5 DGBDLO Cc1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000443066686 533879444 /nfs/dbraw/zinc/87/94/44/533879444.db2.gz RYCNHCBYVZHYIS-UHFFFAOYSA-N 1 2 314.389 3.449 20 5 DGBDLO Cc1ccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000443066686 533879445 /nfs/dbraw/zinc/87/94/45/533879445.db2.gz RYCNHCBYVZHYIS-UHFFFAOYSA-N 1 2 314.389 3.449 20 5 DGBDLO Cc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000734847501 574678699 /nfs/dbraw/zinc/67/86/99/574678699.db2.gz LHQNCUSJVTWGDF-CQSZACIVSA-N 1 2 322.311 3.005 20 5 DGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCCn1cc[nH+]c1 ZINC000736159501 574733389 /nfs/dbraw/zinc/73/33/89/574733389.db2.gz WDZABEPQJQEDNR-UHFFFAOYSA-N 1 2 322.752 3.172 20 5 DGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749988572 575695397 /nfs/dbraw/zinc/69/53/97/575695397.db2.gz DGJOFUUOZGFSIJ-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO COc1cc(F)c([N+](=O)[O-])c(NCCCc2cccc(C)[nH+]2)c1 ZINC000804775045 617666474 /nfs/dbraw/zinc/66/64/74/617666474.db2.gz ZLTHENYVPKIJBL-UHFFFAOYSA-N 1 2 319.336 3.491 20 5 DGBDLO Cn1ncc([N+](=O)[O-])c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000891415332 617794582 /nfs/dbraw/zinc/79/45/82/617794582.db2.gz OLZHTTUEUHIUSG-UHFFFAOYSA-N 1 2 301.350 3.062 20 5 DGBDLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000926795832 618131959 /nfs/dbraw/zinc/13/19/59/618131959.db2.gz MVBBVPGZQQOBQM-ZDUSSCGKSA-N 1 2 301.346 3.367 20 5 DGBDLO Cc1nn(C)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1Cl ZINC000893279359 618494837 /nfs/dbraw/zinc/49/48/37/618494837.db2.gz NXIKWFOZGXCVQI-VIFPVBQESA-N 1 2 308.769 3.141 20 5 DGBDLO CCn1c[nH+]c2c1CCN(c1cc(C)c([N+](=O)[O-])cc1Cl)C2 ZINC000896659952 618940411 /nfs/dbraw/zinc/94/04/11/618940411.db2.gz PFGMSKAGRNUSIJ-UHFFFAOYSA-N 1 2 320.780 3.336 20 5 DGBDLO CCc1cc(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)on1 ZINC000903100094 619716455 /nfs/dbraw/zinc/71/64/55/619716455.db2.gz PHTLCGUPLKAECY-JTQLQIEISA-N 1 2 305.334 3.005 20 5 DGBDLO COc1cc([C@H](C)[NH2+][C@H](C)c2cscn2)cc([N+](=O)[O-])c1 ZINC000903200460 619735533 /nfs/dbraw/zinc/73/55/33/619735533.db2.gz SEBZCBJLFBNBPC-VHSXEESVSA-N 1 2 307.375 3.472 20 5 DGBDLO C[C@@H]1[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000922557493 621056935 /nfs/dbraw/zinc/05/69/35/621056935.db2.gz PEUMMTAIZJMILW-MLGOLLRUSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@@H]1[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000922557493 621056938 /nfs/dbraw/zinc/05/69/38/621056938.db2.gz PEUMMTAIZJMILW-MLGOLLRUSA-N 1 2 315.373 3.037 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)noc1CC ZINC000922988101 621144706 /nfs/dbraw/zinc/14/47/06/621144706.db2.gz MBRFPUYQFLSRBE-UHFFFAOYSA-N 1 2 319.361 3.142 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH+](C2CC2)C2CC2)c1Br ZINC000859625712 621300750 /nfs/dbraw/zinc/30/07/50/621300750.db2.gz BAGDRCSMOCBJLQ-UHFFFAOYSA-N 1 2 311.179 3.484 20 5 DGBDLO CC(C)([NH2+]Cc1cn(C2CC2)cn1)c1ccccc1[N+](=O)[O-] ZINC000865576827 621955121 /nfs/dbraw/zinc/95/51/21/621955121.db2.gz CYQNHWIRCFPUSN-UHFFFAOYSA-N 1 2 300.362 3.151 20 5 DGBDLO C[N@H+](CCc1ccccc1F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000769029693 622493513 /nfs/dbraw/zinc/49/35/13/622493513.db2.gz NQUDOFSSPQYXSC-UHFFFAOYSA-N 1 2 304.321 3.114 20 5 DGBDLO C[N@@H+](CCc1ccccc1F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000769029693 622493514 /nfs/dbraw/zinc/49/35/14/622493514.db2.gz NQUDOFSSPQYXSC-UHFFFAOYSA-N 1 2 304.321 3.114 20 5 DGBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccoc3)no2)ccc1-n1cc[nH+]c1 ZINC000771193982 622725928 /nfs/dbraw/zinc/72/59/28/622725928.db2.gz JIJUJEDXNLPXTF-UHFFFAOYSA-N 1 2 323.268 3.091 20 5 DGBDLO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031732 622762692 /nfs/dbraw/zinc/76/26/92/622762692.db2.gz LYOJDTMVFSYQMN-GXSJLCMTSA-N 1 2 306.341 3.188 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)c(N2CC(n3cc[nH+]c3)C2)c(Cl)c1 ZINC000772113778 622848839 /nfs/dbraw/zinc/84/88/39/622848839.db2.gz HLSKFZOSSQRECF-UHFFFAOYSA-N 1 2 313.144 3.159 20 5 DGBDLO CC(=CC(=O)Nc1cc(C)[nH+]cc1C)c1ccc([N+](=O)[O-])cc1 ZINC000784099170 624436898 /nfs/dbraw/zinc/43/68/98/624436898.db2.gz YZUQHTDYYHFBDE-FLIBITNWSA-N 1 2 311.341 3.071 20 5 DGBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880105455 624790160 /nfs/dbraw/zinc/79/01/60/624790160.db2.gz OAGOZXIZXOBXAL-SNVBAGLBSA-N 1 2 306.753 3.197 20 5 DGBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880107692 624791755 /nfs/dbraw/zinc/79/17/55/624791755.db2.gz YHJPIQSONQIKKV-SNVBAGLBSA-N 1 2 306.753 3.197 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cs1 ZINC000880190540 624829879 /nfs/dbraw/zinc/82/98/79/624829879.db2.gz GMZWRNJKAPAKJP-GJZGRUSLSA-N 1 2 315.398 3.119 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cs1 ZINC000880190540 624829883 /nfs/dbraw/zinc/82/98/83/624829883.db2.gz GMZWRNJKAPAKJP-GJZGRUSLSA-N 1 2 315.398 3.119 20 5 DGBDLO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788480609 625193413 /nfs/dbraw/zinc/19/34/13/625193413.db2.gz BBPGFZXFWHVDPS-UHFFFAOYSA-N 1 2 309.728 3.414 20 5 DGBDLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788480609 625193416 /nfs/dbraw/zinc/19/34/16/625193416.db2.gz BBPGFZXFWHVDPS-UHFFFAOYSA-N 1 2 309.728 3.414 20 5 DGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CC(C)(C)CC1=O ZINC000808143097 626797213 /nfs/dbraw/zinc/79/72/13/626797213.db2.gz LZSSENUETFRFMY-UHFFFAOYSA-N 1 2 319.405 3.021 20 5 DGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CC(C)(C)CC1=O ZINC000808143097 626797215 /nfs/dbraw/zinc/79/72/15/626797215.db2.gz LZSSENUETFRFMY-UHFFFAOYSA-N 1 2 319.405 3.021 20 5 DGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000808785937 626861004 /nfs/dbraw/zinc/86/10/04/626861004.db2.gz ZXLYZCOMXBIEBY-UHFFFAOYSA-N 1 2 317.364 3.432 20 5 DGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000808785937 626861006 /nfs/dbraw/zinc/86/10/06/626861006.db2.gz ZXLYZCOMXBIEBY-UHFFFAOYSA-N 1 2 317.364 3.432 20 5 DGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1coc(C2CC2)n1 ZINC000809689319 626936475 /nfs/dbraw/zinc/93/64/75/626936475.db2.gz XOKGRVJXLZBMCC-UHFFFAOYSA-N 1 2 301.346 3.135 20 5 DGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1coc(C2CC2)n1 ZINC000809689319 626936477 /nfs/dbraw/zinc/93/64/77/626936477.db2.gz XOKGRVJXLZBMCC-UHFFFAOYSA-N 1 2 301.346 3.135 20 5 DGBDLO Cc1csc(C2([NH2+]Cc3cccnc3[N+](=O)[O-])CCCC2)n1 ZINC000886073615 627099477 /nfs/dbraw/zinc/09/94/77/627099477.db2.gz XASWIDICNOMPAP-UHFFFAOYSA-N 1 2 318.402 3.314 20 5 DGBDLO CC1CC[NH+](c2ccc(Nc3c([N+](=O)[O-])ncn3C)cc2)CC1 ZINC000008374668 627574165 /nfs/dbraw/zinc/57/41/65/627574165.db2.gz NTBTYLXZNMSBOU-UHFFFAOYSA-N 1 2 315.377 3.308 20 5 DGBDLO COc1cc(NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])cc1OC ZINC000817125185 627858047 /nfs/dbraw/zinc/85/80/47/627858047.db2.gz XPUMVJBJESPJLA-UHFFFAOYSA-N 1 2 317.345 3.236 20 5 DGBDLO C[N@H+](Cc1cccc(N)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391053 628363170 /nfs/dbraw/zinc/36/31/70/628363170.db2.gz GQBWMZBDFCNZSI-UHFFFAOYSA-N 1 2 305.765 3.462 20 5 DGBDLO C[N@@H+](Cc1cccc(N)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391053 628363172 /nfs/dbraw/zinc/36/31/72/628363172.db2.gz GQBWMZBDFCNZSI-UHFFFAOYSA-N 1 2 305.765 3.462 20 5 DGBDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000830838815 629310387 /nfs/dbraw/zinc/31/03/87/629310387.db2.gz MFPHQCANXZBAFV-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000830838815 629310391 /nfs/dbraw/zinc/31/03/91/629310391.db2.gz MFPHQCANXZBAFV-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCCC2)O1 ZINC000830861948 629312805 /nfs/dbraw/zinc/31/28/05/629312805.db2.gz ZCKGMAWEVWPQLX-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCCC2)O1 ZINC000830861948 629312807 /nfs/dbraw/zinc/31/28/07/629312807.db2.gz ZCKGMAWEVWPQLX-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844392656 630724040 /nfs/dbraw/zinc/72/40/40/630724040.db2.gz LEFPUXZFLROCPA-SNVBAGLBSA-N 1 2 322.752 3.343 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454065 630731330 /nfs/dbraw/zinc/73/13/30/630731330.db2.gz XDXWJOFOFFDZSB-BETUJISGSA-N 1 2 312.316 3.079 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454065 630731331 /nfs/dbraw/zinc/73/13/31/630731331.db2.gz XDXWJOFOFFDZSB-BETUJISGSA-N 1 2 312.316 3.079 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000178188652 655957907 /nfs/dbraw/zinc/95/79/07/655957907.db2.gz BBPKQRPZKSZYMB-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO CCc1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000929854172 661344808 /nfs/dbraw/zinc/34/48/08/661344808.db2.gz RCVNWVVNDISPNM-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO CCc1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000929854172 661344811 /nfs/dbraw/zinc/34/48/11/661344811.db2.gz RCVNWVVNDISPNM-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(F)CC2)c1 ZINC000931685170 661497872 /nfs/dbraw/zinc/49/78/72/661497872.db2.gz DDVMNIWGIVABPY-UHFFFAOYSA-N 1 2 317.158 3.291 20 5 DGBDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC001352878364 1180413836 /nfs/dbraw/zinc/41/38/36/1180413836.db2.gz KIUQJRRHDYGGGC-CQSZACIVSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC001352878364 1180413840 /nfs/dbraw/zinc/41/38/40/1180413840.db2.gz KIUQJRRHDYGGGC-CQSZACIVSA-N 1 2 320.780 3.319 20 5 DGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC(C)(C)CO1 ZINC001473267366 1183737480 /nfs/dbraw/zinc/73/74/80/1183737480.db2.gz TUSMZTXVKNLDHR-ZDUSSCGKSA-N 1 2 312.797 3.495 20 5 DGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC(C)(C)CO1 ZINC001473267366 1183737484 /nfs/dbraw/zinc/73/74/84/1183737484.db2.gz TUSMZTXVKNLDHR-ZDUSSCGKSA-N 1 2 312.797 3.495 20 5 DGBDLO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001620615423 1193784006 /nfs/dbraw/zinc/78/40/06/1193784006.db2.gz VANLMPMEMDZBMF-INIZCTEOSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1cc([C@@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001620615423 1193784007 /nfs/dbraw/zinc/78/40/07/1193784007.db2.gz VANLMPMEMDZBMF-INIZCTEOSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001639411739 1194764324 /nfs/dbraw/zinc/76/43/24/1194764324.db2.gz DAMCBHGMWRMLRH-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO O=[N+]([O-])c1ccc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)nc1 ZINC001640320962 1194806876 /nfs/dbraw/zinc/80/68/76/1194806876.db2.gz UAMNAQGRDXJWQO-HNNXBMFYSA-N 1 2 309.329 3.040 20 5 DGBDLO Cc1cccc2[nH+]c(CCNc3c(F)cccc3[N+](=O)[O-])cn21 ZINC001651202738 1195426236 /nfs/dbraw/zinc/42/62/36/1195426236.db2.gz MNALYGRVZOBLQL-UHFFFAOYSA-N 1 2 314.320 3.345 20 5 DGBDLO CNc1cc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc[nH+]1 ZINC001651438796 1195462367 /nfs/dbraw/zinc/46/23/67/1195462367.db2.gz RBKXJDBNOYVAFX-UHFFFAOYSA-N 1 2 309.329 3.192 20 5 DGBDLO COc1cccc2[nH]c(NCc3cccc([N+](=O)[O-])c3C)[nH+]c21 ZINC001651504932 1195471770 /nfs/dbraw/zinc/47/17/70/1195471770.db2.gz HJYCCUMFHSJNQK-UHFFFAOYSA-N 1 2 312.329 3.400 20 5 DGBDLO O=[N+]([O-])c1c(NCc2[nH]c3c([nH+]2)CCCC3)ccc2ncccc21 ZINC001652266997 1195573425 /nfs/dbraw/zinc/57/34/25/1195573425.db2.gz FPYKBAONXHKPSS-UHFFFAOYSA-N 1 2 323.356 3.357 20 5 DGBDLO CC(C)c1[nH]cc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[nH+]1 ZINC001652743786 1195644426 /nfs/dbraw/zinc/64/44/26/1195644426.db2.gz WONPLECBKXAKKK-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO CC(C)c1[nH]c(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c[nH+]1 ZINC001652743786 1195644434 /nfs/dbraw/zinc/64/44/34/1195644434.db2.gz WONPLECBKXAKKK-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO CC(C)([NH2+]CC(=O)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC001653726758 1195746759 /nfs/dbraw/zinc/74/67/59/1195746759.db2.gz DVSDNCDWORXTBT-UHFFFAOYSA-N 1 2 316.332 3.442 20 5 DGBDLO Cc1ccccc1CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001658771119 1196298790 /nfs/dbraw/zinc/29/87/90/1196298790.db2.gz NNNYVUJPNYSEPO-UHFFFAOYSA-N 1 2 300.358 3.283 20 5 DGBDLO Cc1ccccc1CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001658771119 1196298793 /nfs/dbraw/zinc/29/87/93/1196298793.db2.gz NNNYVUJPNYSEPO-UHFFFAOYSA-N 1 2 300.358 3.283 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn3cc[nH+]c3c2)c1C ZINC001129481055 1082475461 /nfs/dbraw/zinc/47/54/61/1082475461.db2.gz LWNQYCDKBKCHGP-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO Cc1ccc2c(ccnc2NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001167613406 1082603782 /nfs/dbraw/zinc/60/37/82/1082603782.db2.gz KETBBSSMKXDJGC-UHFFFAOYSA-N 1 2 309.329 3.041 20 5 DGBDLO Nc1cc(CNc2nc(-c3ccccc3)ccc2[N+](=O)[O-])cc[nH+]1 ZINC001167613814 1082604900 /nfs/dbraw/zinc/60/49/00/1082604900.db2.gz MUXDNFOKKFFUAC-UHFFFAOYSA-N 1 2 321.340 3.246 20 5 DGBDLO Cc1cc(Cl)c(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC001167841503 1084179212 /nfs/dbraw/zinc/17/92/12/1084179212.db2.gz VNQFUJRFBOBIIV-UHFFFAOYSA-N 1 2 315.826 3.017 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)ccc1Br ZINC000699208232 1087900083 /nfs/dbraw/zinc/90/00/83/1087900083.db2.gz PERHUWWRDLWUEZ-GHMZBOCLSA-N 1 2 311.179 3.199 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc1Br ZINC000699208232 1087900096 /nfs/dbraw/zinc/90/00/96/1087900096.db2.gz PERHUWWRDLWUEZ-GHMZBOCLSA-N 1 2 311.179 3.199 20 5 DGBDLO O=[N+]([O-])c1cnc(Cl)cc1NCc1c[nH+]cn1CC1CCC1 ZINC001161531715 1089275661 /nfs/dbraw/zinc/27/56/61/1089275661.db2.gz UKCPBEQBYODKHA-UHFFFAOYSA-N 1 2 321.768 3.252 20 5 DGBDLO COc1cc[nH+]c(C(C)(C)CNc2nccc(C)c2[N+](=O)[O-])c1 ZINC001162128567 1089561345 /nfs/dbraw/zinc/56/13/45/1089561345.db2.gz QVBXIJHNLDNTGX-UHFFFAOYSA-N 1 2 316.361 3.092 20 5 DGBDLO Cc1cc(NCCCN(C)c2cccc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC001163996807 1090311782 /nfs/dbraw/zinc/31/17/82/1090311782.db2.gz SDRZTVTUYIHNTP-UHFFFAOYSA-N 1 2 318.352 3.376 20 5 DGBDLO C[C@@H](O)[C@@H]([NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001204828754 1091043629 /nfs/dbraw/zinc/04/36/29/1091043629.db2.gz SJLFNBRMSRSBGT-PIGZYNQJSA-N 1 2 319.364 3.424 20 5 DGBDLO Cc1c(Nc2ccc(N(C)C)[nH+]c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211290306 1093445579 /nfs/dbraw/zinc/44/55/79/1093445579.db2.gz BISQQZQUPLDGAL-UHFFFAOYSA-N 1 2 317.305 3.016 20 5 DGBDLO CC(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226310728 1096658269 /nfs/dbraw/zinc/65/82/69/1096658269.db2.gz GHUQRYDFPXWUGJ-UHFFFAOYSA-N 1 2 304.268 3.085 20 5 DGBDLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217861 1097970386 /nfs/dbraw/zinc/97/03/86/1097970386.db2.gz APQRCOWGXRLGGJ-CYBMUJFWSA-N 1 2 305.381 3.336 20 5 DGBDLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217861 1097970391 /nfs/dbraw/zinc/97/03/91/1097970391.db2.gz APQRCOWGXRLGGJ-CYBMUJFWSA-N 1 2 305.381 3.336 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc3cnccc3o1)CC2 ZINC001180266767 1099362174 /nfs/dbraw/zinc/36/21/74/1099362174.db2.gz DBHXFLBNOFFZGH-UHFFFAOYSA-N 1 2 309.325 3.294 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc3cnccc3o1)CC2 ZINC001180266767 1099362183 /nfs/dbraw/zinc/36/21/83/1099362183.db2.gz DBHXFLBNOFFZGH-UHFFFAOYSA-N 1 2 309.325 3.294 20 5 DGBDLO CC[C@H](C)c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001322889250 1107776095 /nfs/dbraw/zinc/77/60/95/1107776095.db2.gz OZCKPSHMBLBJIU-JTQLQIEISA-N 1 2 313.317 3.344 20 5 DGBDLO CCc1cc(NCc2cccc([N+](=O)[O-])c2C)nc(CC)[nH+]1 ZINC001307094694 1110277139 /nfs/dbraw/zinc/27/71/39/1110277139.db2.gz YRUBKEOJJKTHGR-UHFFFAOYSA-N 1 2 300.362 3.430 20 5 DGBDLO CCOC(=O)[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000103862764 432013205 /nfs/dbraw/zinc/01/32/05/432013205.db2.gz FRFAJJXCQRURMU-DZFYGRHCSA-N 1 2 318.373 3.026 20 5 DGBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000103862764 432013203 /nfs/dbraw/zinc/01/32/03/432013203.db2.gz FRFAJJXCQRURMU-DZFYGRHCSA-N 1 2 318.373 3.026 20 5 DGBDLO CC(C)Oc1cc[nH+]cc1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000286897610 219215495 /nfs/dbraw/zinc/21/54/95/219215495.db2.gz JHYYGLRRMRXYFK-UHFFFAOYSA-N 1 2 322.342 3.196 20 5 DGBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000281344838 216238332 /nfs/dbraw/zinc/23/83/32/216238332.db2.gz SYRGWRSEFJFIGM-MRXNPFEDSA-N 1 2 300.362 3.056 20 5 DGBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000281344838 216238336 /nfs/dbraw/zinc/23/83/36/216238336.db2.gz SYRGWRSEFJFIGM-MRXNPFEDSA-N 1 2 300.362 3.056 20 5 DGBDLO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000281360808 216248339 /nfs/dbraw/zinc/24/83/39/216248339.db2.gz UWFVUKKNVSAQQG-MRXNPFEDSA-N 1 2 314.389 3.364 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000281360808 216248340 /nfs/dbraw/zinc/24/83/40/216248340.db2.gz UWFVUKKNVSAQQG-MRXNPFEDSA-N 1 2 314.389 3.364 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000281395434 216270261 /nfs/dbraw/zinc/27/02/61/216270261.db2.gz XCEBXPYFBUFTCG-ZDUSSCGKSA-N 1 2 306.391 3.117 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000281395434 216270263 /nfs/dbraw/zinc/27/02/63/216270263.db2.gz XCEBXPYFBUFTCG-ZDUSSCGKSA-N 1 2 306.391 3.117 20 5 DGBDLO Cn1ccnc1[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000271863660 209276699 /nfs/dbraw/zinc/27/66/99/209276699.db2.gz ZSRRKMWEHSAUSF-CQSZACIVSA-N 1 2 320.780 3.223 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000271810459 209235805 /nfs/dbraw/zinc/23/58/05/209235805.db2.gz NFMUSZGSPVKBKD-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000271810459 209235802 /nfs/dbraw/zinc/23/58/02/209235802.db2.gz NFMUSZGSPVKBKD-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO CCC[N@H+](CC(=O)OC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000471818484 244253396 /nfs/dbraw/zinc/25/33/96/244253396.db2.gz BLDSEHGZUVJLFM-UHFFFAOYSA-N 1 2 308.378 3.103 20 5 DGBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000471818484 244253399 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ZINC000338939528 253373228 /nfs/dbraw/zinc/37/32/28/253373228.db2.gz FNDIPFMWPVXSMS-UHFFFAOYSA-N 1 2 306.387 3.427 20 5 DGBDLO CC[N@@H+](CCc1cccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338939528 253373230 /nfs/dbraw/zinc/37/32/30/253373230.db2.gz FNDIPFMWPVXSMS-UHFFFAOYSA-N 1 2 306.387 3.427 20 5 DGBDLO Cc1c[nH+]c(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000342771997 254046707 /nfs/dbraw/zinc/04/67/07/254046707.db2.gz ANQHREHWRDFKGR-UHFFFAOYSA-N 1 2 302.378 3.047 20 5 DGBDLO Cc1cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000342771997 254046708 /nfs/dbraw/zinc/04/67/08/254046708.db2.gz ANQHREHWRDFKGR-UHFFFAOYSA-N 1 2 302.378 3.047 20 5 DGBDLO Cc1cnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000342771997 254046709 /nfs/dbraw/zinc/04/67/09/254046709.db2.gz ANQHREHWRDFKGR-UHFFFAOYSA-N 1 2 302.378 3.047 20 5 DGBDLO Cn1cc[nH+]c1[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1CC1 ZINC000343250452 254120305 /nfs/dbraw/zinc/12/03/05/254120305.db2.gz MUFKHWFMIFMKPD-HNNXBMFYSA-N 1 2 323.356 3.440 20 5 DGBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nccn1C ZINC000271651176 209094230 /nfs/dbraw/zinc/09/42/30/209094230.db2.gz BDBFLWWCZGHYPO-CYBMUJFWSA-N 1 2 308.769 3.223 20 5 DGBDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000289589752 221088147 /nfs/dbraw/zinc/08/81/47/221088147.db2.gz AXPKPPUZQXOYGN-JTQLQIEISA-N 1 2 306.391 3.168 20 5 DGBDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000356869704 285530487 /nfs/dbraw/zinc/53/04/87/285530487.db2.gz RWLGTXAHFKEMHJ-SNVBAGLBSA-N 1 2 304.350 3.260 20 5 DGBDLO Cc1noc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000595286604 400117326 /nfs/dbraw/zinc/11/73/26/400117326.db2.gz DKJHFHYFKNQIPS-SECBINFHSA-N 1 2 311.288 3.362 20 5 DGBDLO Cc1noc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000595286604 400117335 /nfs/dbraw/zinc/11/73/35/400117335.db2.gz DKJHFHYFKNQIPS-SECBINFHSA-N 1 2 311.288 3.362 20 5 DGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595345244 400132651 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ZINC000595786292 400260158 /nfs/dbraw/zinc/26/01/58/400260158.db2.gz HMCMADRIJILGCG-DYVFJYSZSA-N 1 2 320.389 3.082 20 5 DGBDLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])s1 ZINC000596172586 400338854 /nfs/dbraw/zinc/33/88/54/400338854.db2.gz LXSLLZOUAVTALY-NSHDSACASA-N 1 2 304.375 3.051 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C)ccc1[N+](=O)[O-])CCC2 ZINC000611030536 400339273 /nfs/dbraw/zinc/33/92/73/400339273.db2.gz HKSJPFGYBFHXFA-ZDUSSCGKSA-N 1 2 300.362 3.398 20 5 DGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611561514 400422300 /nfs/dbraw/zinc/42/23/00/400422300.db2.gz UUQWAXIMZXTRFZ-KOLCDFICSA-N 1 2 318.295 3.463 20 5 DGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611561514 400422301 /nfs/dbraw/zinc/42/23/01/400422301.db2.gz UUQWAXIMZXTRFZ-KOLCDFICSA-N 1 2 318.295 3.463 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC000590779415 400434612 /nfs/dbraw/zinc/43/46/12/400434612.db2.gz 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400615528 /nfs/dbraw/zinc/61/55/28/400615528.db2.gz GPHJVDZVLBOFDR-HNNXBMFYSA-N 1 2 310.781 3.249 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)c(Cl)c1 ZINC000592154058 400615532 /nfs/dbraw/zinc/61/55/32/400615532.db2.gz GPHJVDZVLBOFDR-HNNXBMFYSA-N 1 2 310.781 3.249 20 5 DGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000047514497 400619850 /nfs/dbraw/zinc/61/98/50/400619850.db2.gz TZXXCVNGJUZEPL-UHFFFAOYSA-N 1 2 308.297 3.033 20 5 DGBDLO CC(C)[N@H+](Cc1cc2n(n1)CCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000592998697 400729197 /nfs/dbraw/zinc/72/91/97/400729197.db2.gz FQXMCORVSVRSDI-UHFFFAOYSA-N 1 2 314.389 3.148 20 5 DGBDLO CC(C)[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000592998697 400729200 /nfs/dbraw/zinc/72/92/00/400729200.db2.gz FQXMCORVSVRSDI-UHFFFAOYSA-N 1 2 314.389 3.148 20 5 DGBDLO Cc1cc(N[C@H]2CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078502411 400805946 /nfs/dbraw/zinc/80/59/46/400805946.db2.gz IIWBEPKBSFBYBU-LBPRGKRZSA-N 1 2 316.386 3.278 20 5 DGBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000054153241 400812458 /nfs/dbraw/zinc/81/24/58/400812458.db2.gz PODIWNOMIRPSPB-UHFFFAOYSA-N 1 2 306.343 3.017 20 5 DGBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000054153241 400812467 /nfs/dbraw/zinc/81/24/67/400812467.db2.gz PODIWNOMIRPSPB-UHFFFAOYSA-N 1 2 306.343 3.017 20 5 DGBDLO CCC(CC)[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043442 400937187 /nfs/dbraw/zinc/93/71/87/400937187.db2.gz LMJUKYCNGQSKGN-OAHLLOKOSA-N 1 2 303.362 3.352 20 5 DGBDLO CC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCS1 ZINC000599052498 400939371 /nfs/dbraw/zinc/93/93/71/400939371.db2.gz NZLBOKLAWYLVFF-LBPRGKRZSA-N 1 2 303.387 3.475 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCOC2(CCCC2)C1 ZINC000599056785 400941671 /nfs/dbraw/zinc/94/16/71/400941671.db2.gz OCCAGEACCVZRPW-UHFFFAOYSA-N 1 2 313.357 3.292 20 5 DGBDLO CN(C[C@@H]1CCCC[C@H]1O)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599066749 400946337 /nfs/dbraw/zinc/94/63/37/400946337.db2.gz UITXXOQICCHHCJ-XJKSGUPXSA-N 1 2 315.373 3.130 20 5 DGBDLO CC(C)[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599065191 400946914 /nfs/dbraw/zinc/94/69/14/400946914.db2.gz IRCRZWARFUNFGK-OAHLLOKOSA-N 1 2 301.346 3.004 20 5 DGBDLO O=[N+]([O-])c1c(NCC2(CO)CCCC2)ccc2c[nH+]ccc21 ZINC000599067749 400947942 /nfs/dbraw/zinc/94/79/42/400947942.db2.gz IVPUZKXYENXHIU-UHFFFAOYSA-N 1 2 301.346 3.108 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC(C2CCOCC2)C1 ZINC000599074396 400952177 /nfs/dbraw/zinc/95/21/77/400952177.db2.gz LNIJZQFITROUES-UHFFFAOYSA-N 1 2 313.357 3.006 20 5 DGBDLO O=[N+]([O-])c1c(NCC(O)(C2CC2)C2CC2)ccc2c[nH+]ccc21 ZINC000599109082 400962074 /nfs/dbraw/zinc/96/20/74/400962074.db2.gz ZPWPQBVYPYRIRA-UHFFFAOYSA-N 1 2 313.357 3.106 20 5 DGBDLO COCCC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000599508254 401062957 /nfs/dbraw/zinc/06/29/57/401062957.db2.gz YRYNRYKWVLMSAV-UHFFFAOYSA-N 1 2 314.332 3.122 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC(F)(F)CC2)c(F)c1 ZINC000599553208 401074768 /nfs/dbraw/zinc/07/47/68/401074768.db2.gz UZIYETRRLNHCEQ-UHFFFAOYSA-N 1 2 306.259 3.494 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC(F)(F)CC2)c(F)c1 ZINC000599553208 401074775 /nfs/dbraw/zinc/07/47/75/401074775.db2.gz UZIYETRRLNHCEQ-UHFFFAOYSA-N 1 2 306.259 3.494 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000255317744 401103680 /nfs/dbraw/zinc/10/36/80/401103680.db2.gz NJVKDEGTCVTYGB-GPCFVJJQSA-N 1 2 314.341 3.275 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000255317744 401103687 /nfs/dbraw/zinc/10/36/87/401103687.db2.gz NJVKDEGTCVTYGB-GPCFVJJQSA-N 1 2 314.341 3.275 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599619366 401092261 /nfs/dbraw/zinc/09/22/61/401092261.db2.gz JJNIKZGCPYWWNC-GFCCVEGCSA-N 1 2 324.384 3.382 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599619366 401092266 /nfs/dbraw/zinc/09/22/66/401092266.db2.gz JJNIKZGCPYWWNC-GFCCVEGCSA-N 1 2 324.384 3.382 20 5 DGBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599628983 401095037 /nfs/dbraw/zinc/09/50/37/401095037.db2.gz WHRGKODNOZWABF-SECBINFHSA-N 1 2 310.304 3.091 20 5 DGBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599628983 401095043 /nfs/dbraw/zinc/09/50/43/401095043.db2.gz WHRGKODNOZWABF-SECBINFHSA-N 1 2 310.304 3.091 20 5 DGBDLO CCc1nc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cs1 ZINC000063604778 401203969 /nfs/dbraw/zinc/20/39/69/401203969.db2.gz MUWSTRUAKWMFRI-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO CCc1nc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])cs1 ZINC000063604778 401203973 /nfs/dbraw/zinc/20/39/73/401203973.db2.gz MUWSTRUAKWMFRI-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC000595003869 401225928 /nfs/dbraw/zinc/22/59/28/401225928.db2.gz MEURMFOYYXDEMG-SNVBAGLBSA-N 1 2 307.375 3.219 20 5 DGBDLO CC(C)(C(=O)Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000358778954 286152023 /nfs/dbraw/zinc/15/20/23/286152023.db2.gz JVHFASCXPZGOMD-UHFFFAOYSA-N 1 2 324.340 3.159 20 5 DGBDLO O=[N+]([O-])c1ccc(CC[NH2+]c2ccc(-n3cccn3)cc2)cc1 ZINC000184428203 164977231 /nfs/dbraw/zinc/97/72/31/164977231.db2.gz KSXQACBQPIVPPH-UHFFFAOYSA-N 1 2 308.341 3.435 20 5 DGBDLO CC1(C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)O1 ZINC000190524568 432167504 /nfs/dbraw/zinc/16/75/04/432167504.db2.gz KXQUPFGHZBKVGX-UHFFFAOYSA-N 1 2 319.361 3.125 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)c2cccnc21 ZINC000413108958 230133824 /nfs/dbraw/zinc/13/38/24/230133824.db2.gz SDUHAHGBUPCFRY-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1c(CNc2cc(NCC3CC3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000302648562 230332017 /nfs/dbraw/zinc/33/20/17/230332017.db2.gz BBQSTYCRIRLILZ-UHFFFAOYSA-N 1 2 313.361 3.127 20 5 DGBDLO Cc1c(CNc2cc(NCC3CC3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000302648562 230332021 /nfs/dbraw/zinc/33/20/21/230332021.db2.gz BBQSTYCRIRLILZ-UHFFFAOYSA-N 1 2 313.361 3.127 20 5 DGBDLO CC(C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1F ZINC000355551964 266112765 /nfs/dbraw/zinc/11/27/65/266112765.db2.gz JRVVZHCFEDLALQ-UHFFFAOYSA-N 1 2 320.368 3.126 20 5 DGBDLO CC(C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1F ZINC000355551964 266112766 /nfs/dbraw/zinc/11/27/66/266112766.db2.gz JRVVZHCFEDLALQ-UHFFFAOYSA-N 1 2 320.368 3.126 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000370047426 271337219 /nfs/dbraw/zinc/33/72/19/271337219.db2.gz XRLSUPUYHPCFKE-ZDUSSCGKSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000370047426 271337222 /nfs/dbraw/zinc/33/72/22/271337222.db2.gz XRLSUPUYHPCFKE-ZDUSSCGKSA-N 1 2 320.780 3.319 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2CC(C)C)cc1[N+](=O)[O-] ZINC000183112895 432259351 /nfs/dbraw/zinc/25/93/51/432259351.db2.gz WOTFCRMFKBDXAT-CYBMUJFWSA-N 1 2 317.393 3.002 20 5 DGBDLO CO[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000413307591 277342031 /nfs/dbraw/zinc/34/20/31/277342031.db2.gz AZKYZWFNFMKFPU-HNNXBMFYSA-N 1 2 315.373 3.394 20 5 DGBDLO COc1ccc(OCc2[nH+]cc(C)c(OC)c2C)c([N+](=O)[O-])c1 ZINC000071907320 431312742 /nfs/dbraw/zinc/31/27/42/431312742.db2.gz HVNNTILCLZTRJX-UHFFFAOYSA-N 1 2 318.329 3.203 20 5 DGBDLO Cc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000117578429 431570862 /nfs/dbraw/zinc/57/08/62/431570862.db2.gz NKPSCVOSFQUFPB-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000121115680 431744402 /nfs/dbraw/zinc/74/44/02/431744402.db2.gz NJPRZZSBJQUTAF-UHFFFAOYSA-N 1 2 315.329 3.176 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(Br)o1 ZINC000050015517 431945597 /nfs/dbraw/zinc/94/55/97/431945597.db2.gz VAEKLVABOHNTQD-UHFFFAOYSA-N 1 2 311.135 3.240 20 5 DGBDLO COc1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000152054431 432298809 /nfs/dbraw/zinc/29/88/09/432298809.db2.gz AALRUBQGJYALKQ-CYBMUJFWSA-N 1 2 316.361 3.054 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000102677226 431996899 /nfs/dbraw/zinc/99/68/99/431996899.db2.gz DXMHOJLLTBIIBV-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO CC[N@H+](Cc1ccccn1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184234931 432370505 /nfs/dbraw/zinc/37/05/05/432370505.db2.gz OLZGKHDTPYJPPO-UHFFFAOYSA-N 1 2 319.336 3.160 20 5 DGBDLO CC[N@@H+](Cc1ccccn1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184234931 432370508 /nfs/dbraw/zinc/37/05/08/432370508.db2.gz OLZGKHDTPYJPPO-UHFFFAOYSA-N 1 2 319.336 3.160 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000153906457 432454217 /nfs/dbraw/zinc/45/42/17/432454217.db2.gz BUUJEWCFJHQBDD-JTQLQIEISA-N 1 2 307.741 3.098 20 5 DGBDLO Cc1cc2[nH+]cn(CC(=O)c3cccc([N+](=O)[O-])c3)c2cc1C ZINC000192840761 432420057 /nfs/dbraw/zinc/42/00/57/432420057.db2.gz UTLQGUXSSVFMLF-UHFFFAOYSA-N 1 2 309.325 3.444 20 5 DGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc[nH+]1 ZINC000154162212 432477848 /nfs/dbraw/zinc/47/78/48/432477848.db2.gz JIVFNHCIZBNDHT-UHFFFAOYSA-N 1 2 308.297 3.099 20 5 DGBDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000153991151 432463084 /nfs/dbraw/zinc/46/30/84/432463084.db2.gz YARAOVWIDSCGOU-UHFFFAOYSA-N 1 2 308.378 3.147 20 5 DGBDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000153991151 432463088 /nfs/dbraw/zinc/46/30/88/432463088.db2.gz YARAOVWIDSCGOU-UHFFFAOYSA-N 1 2 308.378 3.147 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000178175110 432702996 /nfs/dbraw/zinc/70/29/96/432702996.db2.gz FFLUNXYZWVAQKW-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H]1C ZINC000245440414 432831797 /nfs/dbraw/zinc/83/17/97/432831797.db2.gz GLTVKRDTBHMREL-VHSXEESVSA-N 1 2 311.769 3.060 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H]1C ZINC000245440414 432831799 /nfs/dbraw/zinc/83/17/99/432831799.db2.gz GLTVKRDTBHMREL-VHSXEESVSA-N 1 2 311.769 3.060 20 5 DGBDLO O=[N+]([O-])c1cc(CNC[C@@H](c2ccco2)[NH+]2CCCC2)cs1 ZINC000237974969 432807290 /nfs/dbraw/zinc/80/72/90/432807290.db2.gz COMNICRVGUHXAN-ZDUSSCGKSA-N 1 2 321.402 3.176 20 5 DGBDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000277431676 432849326 /nfs/dbraw/zinc/84/93/26/432849326.db2.gz NNSUYIXQCFGULV-MNOVXSKESA-N 1 2 303.366 3.077 20 5 DGBDLO Cc1cc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c(F)cc1[N+](=O)[O-] ZINC000296392826 432903952 /nfs/dbraw/zinc/90/39/52/432903952.db2.gz VARLADXGLXSFID-CQSZACIVSA-N 1 2 318.352 3.363 20 5 DGBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361257909 433062940 /nfs/dbraw/zinc/06/29/40/433062940.db2.gz IUVNUUBSEAUZQG-NSHDSACASA-N 1 2 311.345 3.059 20 5 DGBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361257909 433062944 /nfs/dbraw/zinc/06/29/44/433062944.db2.gz IUVNUUBSEAUZQG-NSHDSACASA-N 1 2 311.345 3.059 20 5 DGBDLO CO[C@]1(C)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413266305 433269049 /nfs/dbraw/zinc/26/90/49/433269049.db2.gz LUYHWOPQSBPPMH-MRXNPFEDSA-N 1 2 301.346 3.148 20 5 DGBDLO CC(C)(C)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447807820 433283104 /nfs/dbraw/zinc/28/31/04/433283104.db2.gz UIDFOZHJFSFGBT-UHFFFAOYSA-N 1 2 321.421 3.275 20 5 DGBDLO CCC[C@@H](CC)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801377 433284962 /nfs/dbraw/zinc/28/49/62/433284962.db2.gz BZNGOHGZGVWHAH-OAHLLOKOSA-N 1 2 321.421 3.418 20 5 DGBDLO Cc1cc([N+](=O)[O-])cnc1NCCNc1ccc2ccccc2[nH+]1 ZINC000301278259 433484859 /nfs/dbraw/zinc/48/48/59/433484859.db2.gz ZKIYUETXHZXYLM-UHFFFAOYSA-N 1 2 323.356 3.370 20 5 DGBDLO CC(C)(C)c1nnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000292953344 433604276 /nfs/dbraw/zinc/60/42/76/433604276.db2.gz ARSHOEJRZGPSKX-UHFFFAOYSA-N 1 2 317.393 3.035 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC2(CCC2(F)F)C1 ZINC000356526851 433605945 /nfs/dbraw/zinc/60/59/45/433605945.db2.gz NLZYVAAUZRMAFS-UHFFFAOYSA-N 1 2 312.316 3.225 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429142144 433771892 /nfs/dbraw/zinc/77/18/92/433771892.db2.gz NAUROBSCPWQDLT-LLVKDONJSA-N 1 2 304.371 3.439 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429142144 433771908 /nfs/dbraw/zinc/77/19/08/433771908.db2.gz NAUROBSCPWQDLT-LLVKDONJSA-N 1 2 304.371 3.439 20 5 DGBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284116721 433841397 /nfs/dbraw/zinc/84/13/97/433841397.db2.gz NLEIHRARGHUQAJ-LLVKDONJSA-N 1 2 316.317 3.091 20 5 DGBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284116721 433841408 /nfs/dbraw/zinc/84/14/08/433841408.db2.gz NLEIHRARGHUQAJ-LLVKDONJSA-N 1 2 316.317 3.091 20 5 DGBDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000362925877 433913303 /nfs/dbraw/zinc/91/33/03/433913303.db2.gz WBOFONOCTQJTKZ-NXEZZACHSA-N 1 2 321.356 3.216 20 5 DGBDLO CC[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000393331732 293829907 /nfs/dbraw/zinc/82/99/07/293829907.db2.gz RWLPETDJFGPQBY-CYBMUJFWSA-N 1 2 308.769 3.223 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000377943928 434041135 /nfs/dbraw/zinc/04/11/35/434041135.db2.gz IFVUFAKVGNGLDB-ZDUSSCGKSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000377943928 434041145 /nfs/dbraw/zinc/04/11/45/434041145.db2.gz IFVUFAKVGNGLDB-ZDUSSCGKSA-N 1 2 320.780 3.319 20 5 DGBDLO C[N@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000363449238 434061993 /nfs/dbraw/zinc/06/19/93/434061993.db2.gz JNUMSSUKPGJLLC-CQSZACIVSA-N 1 2 318.764 3.242 20 5 DGBDLO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000363449238 434062004 /nfs/dbraw/zinc/06/20/04/434062004.db2.gz JNUMSSUKPGJLLC-CQSZACIVSA-N 1 2 318.764 3.242 20 5 DGBDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000285881286 434096037 /nfs/dbraw/zinc/09/60/37/434096037.db2.gz ZNIKSBNGCHXFHH-AWEZNQCLSA-N 1 2 302.334 3.013 20 5 DGBDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000285881286 434096044 /nfs/dbraw/zinc/09/60/44/434096044.db2.gz ZNIKSBNGCHXFHH-AWEZNQCLSA-N 1 2 302.334 3.013 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000286107656 434165481 /nfs/dbraw/zinc/16/54/81/434165481.db2.gz LJQZBIWCAGVSLK-AWEZNQCLSA-N 1 2 316.361 3.054 20 5 DGBDLO CCOc1cc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000286107656 434165493 /nfs/dbraw/zinc/16/54/93/434165493.db2.gz LJQZBIWCAGVSLK-AWEZNQCLSA-N 1 2 316.361 3.054 20 5 DGBDLO CC(C)CO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286414968 434264163 /nfs/dbraw/zinc/26/41/63/434264163.db2.gz MBEKWYMAZHSXOX-GFCCVEGCSA-N 1 2 314.332 3.120 20 5 DGBDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286414968 434264176 /nfs/dbraw/zinc/26/41/76/434264176.db2.gz MBEKWYMAZHSXOX-GFCCVEGCSA-N 1 2 314.332 3.120 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000353566969 434235502 /nfs/dbraw/zinc/23/55/02/434235502.db2.gz FOIHKHGQWOVDOU-ZETCQYMHSA-N 1 2 312.782 3.259 20 5 DGBDLO Cc1nc(Nc2ccc(NC3CCCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000295483539 434381649 /nfs/dbraw/zinc/38/16/49/434381649.db2.gz JIJXSXXYUDQUPS-UHFFFAOYSA-N 1 2 314.349 3.186 20 5 DGBDLO C[C@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])c2[nH+]ccn21 ZINC000450820050 434425477 /nfs/dbraw/zinc/42/54/77/434425477.db2.gz MVHAHRUOVXXOAP-GXFFZTMASA-N 1 2 309.329 3.457 20 5 DGBDLO CO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000296022238 434477263 /nfs/dbraw/zinc/47/72/63/434477263.db2.gz NDBNWDZEWPADBZ-CQSZACIVSA-N 1 2 314.332 3.120 20 5 DGBDLO CO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000296022238 434477272 /nfs/dbraw/zinc/47/72/72/434477272.db2.gz NDBNWDZEWPADBZ-CQSZACIVSA-N 1 2 314.332 3.120 20 5 DGBDLO CC(C)c1nnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000450940519 434495720 /nfs/dbraw/zinc/49/57/20/434495720.db2.gz OHPQHLBWHHIHRW-UHFFFAOYSA-N 1 2 320.418 3.244 20 5 DGBDLO CC(C)c1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000450940519 434495723 /nfs/dbraw/zinc/49/57/23/434495723.db2.gz OHPQHLBWHHIHRW-UHFFFAOYSA-N 1 2 320.418 3.244 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451001834 434524867 /nfs/dbraw/zinc/52/48/67/434524867.db2.gz IRCKBTITPYEGPJ-AWEZNQCLSA-N 1 2 313.357 3.075 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451001834 434524877 /nfs/dbraw/zinc/52/48/77/434524877.db2.gz IRCKBTITPYEGPJ-AWEZNQCLSA-N 1 2 313.357 3.075 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOCC12CCCC2 ZINC000408021223 434537507 /nfs/dbraw/zinc/53/75/07/434537507.db2.gz GRIQWCAGQPMPDY-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOCC12CCCC2 ZINC000408021223 434537514 /nfs/dbraw/zinc/53/75/14/434537514.db2.gz GRIQWCAGQPMPDY-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COCc3ccccc32)c(F)c1 ZINC000418108003 434590345 /nfs/dbraw/zinc/59/03/45/434590345.db2.gz QLZALBSCMVMJOR-MRXNPFEDSA-N 1 2 302.305 3.095 20 5 DGBDLO COC1(C)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000459572859 434612795 /nfs/dbraw/zinc/61/27/95/434612795.db2.gz FDDMMPQIETTXLI-UHFFFAOYSA-N 1 2 302.330 3.076 20 5 DGBDLO O=[N+]([O-])c1ccc(/C=C\c2c[nH+]c3ccc(Cl)cn23)nc1 ZINC000439537584 434622487 /nfs/dbraw/zinc/62/24/87/434622487.db2.gz ZPCPRBLKALUVTE-RQOWECAXSA-N 1 2 300.705 3.461 20 5 DGBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1[nH]cc[nH+]1 ZINC000439650269 434632862 /nfs/dbraw/zinc/63/28/62/434632862.db2.gz TUSCLHZDKSIGFQ-CYBMUJFWSA-N 1 2 323.356 3.943 20 5 DGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459636604 434641638 /nfs/dbraw/zinc/64/16/38/434641638.db2.gz WFHQPUKGPUWGOS-SECBINFHSA-N 1 2 319.386 3.096 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440955462 434756121 /nfs/dbraw/zinc/75/61/21/434756121.db2.gz JTCQVVYZLFPHHG-GDBMZVCRSA-N 1 2 320.389 3.135 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440955462 434756123 /nfs/dbraw/zinc/75/61/23/434756123.db2.gz JTCQVVYZLFPHHG-GDBMZVCRSA-N 1 2 320.389 3.135 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOc3c(F)ccc(F)c32)cc1 ZINC000361226358 434834962 /nfs/dbraw/zinc/83/49/62/434834962.db2.gz BAGJKIVOUWMKHF-CQSZACIVSA-N 1 2 320.295 3.486 20 5 DGBDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411911397 434842458 /nfs/dbraw/zinc/84/24/58/434842458.db2.gz WAWDFXMQGDRWHV-GFCCVEGCSA-N 1 2 320.389 3.289 20 5 DGBDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411911397 434842461 /nfs/dbraw/zinc/84/24/61/434842461.db2.gz WAWDFXMQGDRWHV-GFCCVEGCSA-N 1 2 320.389 3.289 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccn[nH]2)s1 ZINC000522254738 434917827 /nfs/dbraw/zinc/91/78/27/434917827.db2.gz MXBGOQPKSBTQFY-UHFFFAOYSA-N 1 2 314.370 3.336 20 5 DGBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000492309939 434956691 /nfs/dbraw/zinc/95/66/91/434956691.db2.gz DRCCHCHFORFIFB-WAYWQWQTSA-N 1 2 320.736 3.117 20 5 DGBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522556016 434926557 /nfs/dbraw/zinc/92/65/57/434926557.db2.gz JCJDSLQQQFUPHF-AWEZNQCLSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522556016 434926562 /nfs/dbraw/zinc/92/65/62/434926562.db2.gz JCJDSLQQQFUPHF-AWEZNQCLSA-N 1 2 312.797 3.495 20 5 DGBDLO Cc1cc(N2CCC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000538452193 435500625 /nfs/dbraw/zinc/50/06/25/435500625.db2.gz JDEZCNHBTLRPNS-UHFFFAOYSA-N 1 2 320.299 3.206 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000548097674 435669136 /nfs/dbraw/zinc/66/91/36/435669136.db2.gz RDSCBMQGVJFMFB-BMIGLBTASA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000548097674 435669139 /nfs/dbraw/zinc/66/91/39/435669139.db2.gz RDSCBMQGVJFMFB-BMIGLBTASA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C2CC2)O1 ZINC000548425135 435691815 /nfs/dbraw/zinc/69/18/15/435691815.db2.gz QLHPOYXHIMFJCT-BONVTDFDSA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C2CC2)O1 ZINC000548425135 435691821 /nfs/dbraw/zinc/69/18/21/435691821.db2.gz QLHPOYXHIMFJCT-BONVTDFDSA-N 1 2 310.781 3.248 20 5 DGBDLO Cn1cc[nH+]c1[C@H]1N(c2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000296190738 303010968 /nfs/dbraw/zinc/01/09/68/303010968.db2.gz DPLCEAWOFKSTNE-CYBMUJFWSA-N 1 2 304.325 3.055 20 5 DGBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000553605249 314649611 /nfs/dbraw/zinc/64/96/11/314649611.db2.gz VUHATIRPXGPUTC-HNNXBMFYSA-N 1 2 323.356 3.440 20 5 DGBDLO Cc1nnc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000562413098 315018139 /nfs/dbraw/zinc/01/81/39/315018139.db2.gz ZPNPGOLXQIYELN-ZDUSSCGKSA-N 1 2 318.402 3.267 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000565082269 315228319 /nfs/dbraw/zinc/22/83/19/315228319.db2.gz YTCVRGBRUZZUIV-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000565082269 315228323 /nfs/dbraw/zinc/22/83/23/315228323.db2.gz YTCVRGBRUZZUIV-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000573030505 315835825 /nfs/dbraw/zinc/83/58/25/315835825.db2.gz XKQIASZFAKHRDY-UHFFFAOYSA-N 1 2 313.313 3.139 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000576714580 316159728 /nfs/dbraw/zinc/15/97/28/316159728.db2.gz BLCMTRGQTVYQJE-GFCCVEGCSA-N 1 2 316.386 3.101 20 5 DGBDLO C[N@H+](CCOCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000154669115 522900699 /nfs/dbraw/zinc/90/06/99/522900699.db2.gz KOUSAODVMINLFV-UHFFFAOYSA-N 1 2 318.348 3.383 20 5 DGBDLO C[N@@H+](CCOCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000154669115 522900708 /nfs/dbraw/zinc/90/07/08/522900708.db2.gz KOUSAODVMINLFV-UHFFFAOYSA-N 1 2 318.348 3.383 20 5 DGBDLO CC(C)(C)C[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413146949 527703332 /nfs/dbraw/zinc/70/33/32/527703332.db2.gz NUSFRJBCWGLARY-ZDUSSCGKSA-N 1 2 303.362 3.352 20 5 DGBDLO CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000413059710 528312886 /nfs/dbraw/zinc/31/28/86/528312886.db2.gz LMLRMVLHDSLLPC-UHFFFAOYSA-N 1 2 305.313 3.114 20 5 DGBDLO CCOc1cc(NCCc2ccc(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000413360075 528327113 /nfs/dbraw/zinc/32/71/13/528327113.db2.gz YNUYQWYQJSPAFJ-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000299391934 528861424 /nfs/dbraw/zinc/86/14/24/528861424.db2.gz RQSXAFDBPSDFQF-UHFFFAOYSA-N 1 2 317.345 3.037 20 5 DGBDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000299391934 528861428 /nfs/dbraw/zinc/86/14/28/528861428.db2.gz RQSXAFDBPSDFQF-UHFFFAOYSA-N 1 2 317.345 3.037 20 5 DGBDLO O=[N+]([O-])c1ccc(Oc2cc(-n3cc[nH+]c3)ncn2)cc1Cl ZINC000740867808 574944099 /nfs/dbraw/zinc/94/40/99/574944099.db2.gz AXBFMIKFHDLURO-UHFFFAOYSA-N 1 2 317.692 3.016 20 5 DGBDLO Cc1cccc2[nH+]c(CN3CCc4cc([N+](=O)[O-])ccc43)cn21 ZINC000747474580 575519965 /nfs/dbraw/zinc/51/99/65/575519965.db2.gz IAHXAUYLQVLSKT-UHFFFAOYSA-N 1 2 308.341 3.114 20 5 DGBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895068023 618525454 /nfs/dbraw/zinc/52/54/54/618525454.db2.gz FGTYQUZOKXAVBR-UTCJRWHESA-N 1 2 324.384 3.269 20 5 DGBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895068023 618525456 /nfs/dbraw/zinc/52/54/56/618525456.db2.gz FGTYQUZOKXAVBR-UTCJRWHESA-N 1 2 324.384 3.269 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895353273 618601281 /nfs/dbraw/zinc/60/12/81/618601281.db2.gz AHCATKCVZIQMOC-UHFFFAOYSA-N 1 2 316.336 3.210 20 5 DGBDLO COCC1(C2CC2)C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895751567 618827187 /nfs/dbraw/zinc/82/71/87/618827187.db2.gz SRVQGRUZRVRITR-UHFFFAOYSA-N 1 2 310.781 3.107 20 5 DGBDLO CCCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000902874130 619685118 /nfs/dbraw/zinc/68/51/18/619685118.db2.gz CHJYJWJNVXIISZ-STQMWFEESA-N 1 2 317.393 3.317 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)n(C)n2)cc1[N+](=O)[O-] ZINC000859237971 621264315 /nfs/dbraw/zinc/26/43/15/621264315.db2.gz YZKPOOFKFYDQMA-SNVBAGLBSA-N 1 2 308.769 3.141 20 5 DGBDLO Cc1cc(N2CCC([N@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000771163802 622721668 /nfs/dbraw/zinc/72/16/68/622721668.db2.gz ONKSRNOTYPHGMM-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO Cc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000771163802 622721671 /nfs/dbraw/zinc/72/16/71/622721671.db2.gz ONKSRNOTYPHGMM-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1C ZINC000872031214 622762758 /nfs/dbraw/zinc/76/27/58/622762758.db2.gz HSYYFQFYYMYJDF-NSHDSACASA-N 1 2 320.368 3.418 20 5 DGBDLO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086804 622797106 /nfs/dbraw/zinc/79/71/06/622797106.db2.gz ZQJQXZQASZEHCB-JTQLQIEISA-N 1 2 318.352 3.196 20 5 DGBDLO COCc1nc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cs1 ZINC000873126746 623042281 /nfs/dbraw/zinc/04/22/81/623042281.db2.gz CGKVKILBURLHRV-UHFFFAOYSA-N 1 2 321.402 3.104 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000877820115 624051825 /nfs/dbraw/zinc/05/18/25/624051825.db2.gz GZTNTTUQHZRLSO-ZDUSSCGKSA-N 1 2 318.295 3.056 20 5 DGBDLO Cc1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000877820115 624051827 /nfs/dbraw/zinc/05/18/27/624051827.db2.gz GZTNTTUQHZRLSO-ZDUSSCGKSA-N 1 2 318.295 3.056 20 5 DGBDLO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000877827830 624059431 /nfs/dbraw/zinc/05/94/31/624059431.db2.gz UIMCOLRKRJBFMY-VIFPVBQESA-N 1 2 308.769 3.141 20 5 DGBDLO NC(Cc1ccccc1)=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl ZINC000782319199 624238056 /nfs/dbraw/zinc/23/80/56/624238056.db2.gz QWPKCPLRRIBLNZ-UHFFFAOYSA-N 1 2 319.748 3.489 20 5 DGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCNc1cccc[nH+]1 ZINC000786576104 624923770 /nfs/dbraw/zinc/92/37/70/624923770.db2.gz RGDWPPFROSUJLO-UHFFFAOYSA-N 1 2 314.345 3.107 20 5 DGBDLO CCC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1ccccc1Br ZINC000791052781 625744076 /nfs/dbraw/zinc/74/40/76/625744076.db2.gz CWILINPIEMEENB-NSHDSACASA-N 1 2 315.211 3.499 20 5 DGBDLO CCC[N@@H+](CC[N+](=O)[O-])[C@@H](C)c1ccccc1Br ZINC000791052781 625744082 /nfs/dbraw/zinc/74/40/82/625744082.db2.gz CWILINPIEMEENB-NSHDSACASA-N 1 2 315.211 3.499 20 5 DGBDLO CCOc1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885942795 627066141 /nfs/dbraw/zinc/06/61/41/627066141.db2.gz RZPAZQIDXUPRRQ-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CCOc1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885942795 627066145 /nfs/dbraw/zinc/06/61/45/627066145.db2.gz RZPAZQIDXUPRRQ-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886029966 627088493 /nfs/dbraw/zinc/08/84/93/627088493.db2.gz DRJNTGMFHOKLOU-OAHLLOKOSA-N 1 2 300.362 3.056 20 5 DGBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886029966 627088495 /nfs/dbraw/zinc/08/84/95/627088495.db2.gz DRJNTGMFHOKLOU-OAHLLOKOSA-N 1 2 300.362 3.056 20 5 DGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886120703 627108335 /nfs/dbraw/zinc/10/83/35/627108335.db2.gz LUOUMZBOAJQNGN-MWLCHTKSSA-N 1 2 303.284 3.153 20 5 DGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886120703 627108337 /nfs/dbraw/zinc/10/83/37/627108337.db2.gz LUOUMZBOAJQNGN-MWLCHTKSSA-N 1 2 303.284 3.153 20 5 DGBDLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812864308 627431366 /nfs/dbraw/zinc/43/13/66/627431366.db2.gz DBRLEENEPOYUDQ-NSHDSACASA-N 1 2 319.188 3.247 20 5 DGBDLO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812864308 627431368 /nfs/dbraw/zinc/43/13/68/627431368.db2.gz DBRLEENEPOYUDQ-NSHDSACASA-N 1 2 319.188 3.247 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2noc([C@H]3CC[N@@H+]3C3CCCC3)n2)s1 ZINC000924007097 627595766 /nfs/dbraw/zinc/59/57/66/627595766.db2.gz UBQKJQUQMQAHLB-SNVBAGLBSA-N 1 2 320.374 3.396 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2noc([C@H]3CC[N@H+]3C3CCCC3)n2)s1 ZINC000924007097 627595770 /nfs/dbraw/zinc/59/57/70/627595770.db2.gz UBQKJQUQMQAHLB-SNVBAGLBSA-N 1 2 320.374 3.396 20 5 DGBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625896 627692211 /nfs/dbraw/zinc/69/22/11/627692211.db2.gz PIZNNZMYSUFTSE-RKDXNWHRSA-N 1 2 322.315 3.262 20 5 DGBDLO C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000927102475 628014827 /nfs/dbraw/zinc/01/48/27/628014827.db2.gz ZZBDANISVWKXIW-SNVBAGLBSA-N 1 2 318.352 3.196 20 5 DGBDLO Cc1cc(C)c(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000928247471 628132695 /nfs/dbraw/zinc/13/26/95/628132695.db2.gz VKGMBCLAXBKHNK-GFCCVEGCSA-N 1 2 313.357 3.406 20 5 DGBDLO COCC1(C2CCC2)C[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000827012355 628912701 /nfs/dbraw/zinc/91/27/01/628912701.db2.gz WVWAYAPBCAYQAJ-UHFFFAOYSA-N 1 2 324.808 3.497 20 5 DGBDLO Cc1noc(C[N@H+]2CC=C(c3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC000851714003 632472901 /nfs/dbraw/zinc/47/29/01/632472901.db2.gz KGQXOIIWDXMRCD-UHFFFAOYSA-N 1 2 313.357 3.489 20 5 DGBDLO Cc1noc(C[N@@H+]2CC=C(c3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC000851714003 632472904 /nfs/dbraw/zinc/47/29/04/632472904.db2.gz KGQXOIIWDXMRCD-UHFFFAOYSA-N 1 2 313.357 3.489 20 5 DGBDLO CC[N@@H+](Cc1ccccc1C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000123711556 656182607 /nfs/dbraw/zinc/18/26/07/656182607.db2.gz VZOUMDQFOQYYCL-UHFFFAOYSA-N 1 2 302.378 3.196 20 5 DGBDLO CC[N@H+](Cc1ccccc1C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000123711556 656182610 /nfs/dbraw/zinc/18/26/10/656182610.db2.gz VZOUMDQFOQYYCL-UHFFFAOYSA-N 1 2 302.378 3.196 20 5 DGBDLO CCc1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000930141154 661370532 /nfs/dbraw/zinc/37/05/32/661370532.db2.gz SENWDRZDEFKMDW-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO CCc1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000930141154 661370536 /nfs/dbraw/zinc/37/05/36/661370536.db2.gz SENWDRZDEFKMDW-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000932077705 661535409 /nfs/dbraw/zinc/53/54/09/661535409.db2.gz GZIVJHJGMMBVKM-NSHDSACASA-N 1 2 306.309 3.075 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000932077705 661535410 /nfs/dbraw/zinc/53/54/10/661535410.db2.gz GZIVJHJGMMBVKM-NSHDSACASA-N 1 2 306.309 3.075 20 5 DGBDLO Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001349312996 1179891344 /nfs/dbraw/zinc/89/13/44/1179891344.db2.gz WGVLLXINUIKULM-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001349791567 1179951999 /nfs/dbraw/zinc/95/19/99/1179951999.db2.gz LGUQBNMWNNCMAU-UHFFFAOYSA-N 1 2 313.357 3.404 20 5 DGBDLO C[C@@H](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001352648483 1180375526 /nfs/dbraw/zinc/37/55/26/1180375526.db2.gz QPLMFUMUHQVRDO-VIFPVBQESA-N 1 2 308.725 3.035 20 5 DGBDLO CC[N@@H+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001458259637 1182508764 /nfs/dbraw/zinc/50/87/64/1182508764.db2.gz DEFDWFVPDZWJCO-VIFPVBQESA-N 1 2 318.204 3.432 20 5 DGBDLO CC[N@H+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001458259637 1182508768 /nfs/dbraw/zinc/50/87/68/1182508768.db2.gz DEFDWFVPDZWJCO-VIFPVBQESA-N 1 2 318.204 3.432 20 5 DGBDLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001473486871 1183763299 /nfs/dbraw/zinc/76/32/99/1183763299.db2.gz SSWJXWPXESDNIE-DZGCQCFKSA-N 1 2 320.389 3.116 20 5 DGBDLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001473486871 1183763304 /nfs/dbraw/zinc/76/33/04/1183763304.db2.gz SSWJXWPXESDNIE-DZGCQCFKSA-N 1 2 320.389 3.116 20 5 DGBDLO Cc1ccc(CNc2nc(C)[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC001612779894 1193461070 /nfs/dbraw/zinc/46/10/70/1193461070.db2.gz GUAROWKNUINTIN-UHFFFAOYSA-N 1 2 312.373 3.493 20 5 DGBDLO CSc1cccc(C(=O)Nc2c(C)c[nH+]cc2C)c1[N+](=O)[O-] ZINC001616246677 1193533886 /nfs/dbraw/zinc/53/38/86/1193533886.db2.gz LZTFEMXIDFDQTO-UHFFFAOYSA-N 1 2 317.370 3.003 20 5 DGBDLO COc1cc(C[NH2+][C@@H](C)c2ncccc2C)c([N+](=O)[O-])cc1F ZINC001560221174 1189293073 /nfs/dbraw/zinc/29/30/73/1189293073.db2.gz NDAVFLLKESOZCZ-NSHDSACASA-N 1 2 319.336 3.297 20 5 DGBDLO CC[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001567063364 1190015357 /nfs/dbraw/zinc/01/53/57/1190015357.db2.gz CWOGNBIWUTURBN-AWEZNQCLSA-N 1 2 324.340 3.352 20 5 DGBDLO CCc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc(CC)[nH+]1 ZINC001651049887 1195407710 /nfs/dbraw/zinc/40/77/10/1195407710.db2.gz CZTORSMPDSSAMW-UHFFFAOYSA-N 1 2 314.389 3.189 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCc2ccccc2CC1 ZINC001653625749 1195739435 /nfs/dbraw/zinc/73/94/35/1195739435.db2.gz FGZJIJKZWJGYNG-UHFFFAOYSA-N 1 2 312.369 3.291 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCc2ccccc2CC1 ZINC001653625749 1195739437 /nfs/dbraw/zinc/73/94/37/1195739437.db2.gz FGZJIJKZWJGYNG-UHFFFAOYSA-N 1 2 312.369 3.291 20 5 DGBDLO Cc1ccc(C[NH2+][C@@H](CO)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001655880659 1195973057 /nfs/dbraw/zinc/97/30/57/1195973057.db2.gz PMSPBOCNGFYOJF-HNNXBMFYSA-N 1 2 322.311 3.005 20 5 DGBDLO Nc1cc(CNc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc[nH+]1 ZINC001167617611 1082609919 /nfs/dbraw/zinc/60/99/19/1082609919.db2.gz RIFGOUCVBBWDDN-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO Cc1cccn2c([C@H](C)Nc3nccc(C)c3[N+](=O)[O-])c[nH+]c12 ZINC001160683305 1088917361 /nfs/dbraw/zinc/91/73/61/1088917361.db2.gz KPFWLSUBWXVXSS-LBPRGKRZSA-N 1 2 311.345 3.427 20 5 DGBDLO Cc1c(C)c([N+](=O)[O-])cnc1NCc1c[nH+]cn1CC1CCC1 ZINC001161532965 1089273619 /nfs/dbraw/zinc/27/36/19/1089273619.db2.gz DQRLFMKYNQPVCD-UHFFFAOYSA-N 1 2 315.377 3.215 20 5 DGBDLO CN(CCCNc1c(F)cccc1[N+](=O)[O-])c1cccc[nH+]1 ZINC001307193320 1091564967 /nfs/dbraw/zinc/56/49/67/1091564967.db2.gz ALYSEAMXHIDKFW-UHFFFAOYSA-N 1 2 304.325 3.067 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@H]2c2ccc(Cl)cc2)C1 ZINC001169045501 1092505041 /nfs/dbraw/zinc/50/50/41/1092505041.db2.gz JJHKVSLQDIVIDQ-KCXAZCMYSA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOC[C@H]2c2ccc(Cl)cc2)C1 ZINC001169045501 1092505054 /nfs/dbraw/zinc/50/50/54/1092505054.db2.gz JJHKVSLQDIVIDQ-KCXAZCMYSA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218005402 1094554186 /nfs/dbraw/zinc/55/41/86/1094554186.db2.gz FNEFHVDZHJWXLI-ZDUSSCGKSA-N 1 2 308.284 3.124 20 5 DGBDLO CC(C)(C)c1ccc(O[C@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218006168 1094554893 /nfs/dbraw/zinc/55/48/93/1094554893.db2.gz KRWLMWAAVJZBLO-ZDUSSCGKSA-N 1 2 314.332 3.268 20 5 DGBDLO CCOC(=[NH2+])CCCCO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224963019 1096324769 /nfs/dbraw/zinc/32/47/69/1096324769.db2.gz FJSWQFVJZBLALE-HNNXBMFYSA-N 1 2 306.362 3.263 20 5 DGBDLO CCOc1cc(C[N@@H+]2C[C@@H](CC)OC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC001171777711 1096969997 /nfs/dbraw/zinc/96/99/97/1096969997.db2.gz DCSCANQBNRIUGC-LSDHHAIUSA-N 1 2 322.405 3.383 20 5 DGBDLO CCOc1cc(C[N@H+]2C[C@@H](CC)OC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC001171777711 1096970000 /nfs/dbraw/zinc/97/00/00/1096970000.db2.gz DCSCANQBNRIUGC-LSDHHAIUSA-N 1 2 322.405 3.383 20 5 DGBDLO Cc1[nH]c2ccc(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc2[nH+]1 ZINC001228327724 1097097676 /nfs/dbraw/zinc/09/76/76/1097097676.db2.gz UNNWWLUNAYQLRX-OAHLLOKOSA-N 1 2 309.325 3.326 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC(F)(C3CC3)C1)CC2 ZINC001172908491 1097270131 /nfs/dbraw/zinc/27/01/31/1097270131.db2.gz MTRMFNIPVXRHQJ-HNNXBMFYSA-N 1 2 304.365 3.276 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@@H](F)C[C@H]2C)c1F ZINC001173178296 1097356163 /nfs/dbraw/zinc/35/61/63/1097356163.db2.gz AERZWZUFQUJCHI-MXWKQRLJSA-N 1 2 314.332 3.106 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@@H](F)C[C@H]2C)c1F ZINC001173178296 1097356166 /nfs/dbraw/zinc/35/61/66/1097356166.db2.gz AERZWZUFQUJCHI-MXWKQRLJSA-N 1 2 314.332 3.106 20 5 DGBDLO Nc1ccc(Nc2c(N)c3cccnc3c3ncccc32)c[nH+]1 ZINC001201291791 1102539296 /nfs/dbraw/zinc/53/92/96/1102539296.db2.gz CJIJMQUOKURIME-UHFFFAOYSA-N 1 2 302.341 3.086 20 5 DGBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001254552319 1106102142 /nfs/dbraw/zinc/10/21/42/1106102142.db2.gz KUXBYURYYZIJOR-MFKMUULPSA-N 1 2 302.296 3.205 20 5 DGBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001254552319 1106102145 /nfs/dbraw/zinc/10/21/45/1106102145.db2.gz KUXBYURYYZIJOR-MFKMUULPSA-N 1 2 302.296 3.205 20 5 DGBDLO CN(C)c1ccc(CNc2ccnc3c2cccc3[N+](=O)[O-])c[nH+]1 ZINC000432327451 529782302 /nfs/dbraw/zinc/78/23/02/529782302.db2.gz SSZCWWZPQDYOTP-UHFFFAOYSA-N 1 2 323.356 3.216 20 5 DGBDLO CN(CC[C@@H]1CCCO1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413255073 529930798 /nfs/dbraw/zinc/93/07/98/529930798.db2.gz FTUNVOFHUBNPIK-AWEZNQCLSA-N 1 2 301.346 3.148 20 5 DGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000107294404 432030437 /nfs/dbraw/zinc/03/04/37/432030437.db2.gz LHJWPUFIAQMMIC-UHFFFAOYSA-N 1 2 303.343 3.272 20 5 DGBDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1csc([N+](=O)[O-])c1)n2C ZINC000187589072 200131224 /nfs/dbraw/zinc/13/12/24/200131224.db2.gz QNGDBPMKZPHMGG-UHFFFAOYSA-N 1 2 316.386 3.141 20 5 DGBDLO O=[N+]([O-])c1ccc2nc(NCCCNc3cccc[nH+]3)ccc2c1 ZINC000180410114 432085124 /nfs/dbraw/zinc/08/51/24/432085124.db2.gz VNTIJGSUTDLTNZ-UHFFFAOYSA-N 1 2 323.356 3.452 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000430199514 238070503 /nfs/dbraw/zinc/07/05/03/238070503.db2.gz BXUVCVNCDWDQSM-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000430199514 238070504 /nfs/dbraw/zinc/07/05/04/238070504.db2.gz BXUVCVNCDWDQSM-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO O=[N+]([O-])c1cccc2c(NCCNc3cccc[nH+]3)ccnc21 ZINC000432332783 238125348 /nfs/dbraw/zinc/12/53/48/238125348.db2.gz BLGMZBGXUZWGPC-UHFFFAOYSA-N 1 2 309.329 3.062 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000432841160 238138371 /nfs/dbraw/zinc/13/83/71/238138371.db2.gz SSAWFAFEXVQZCS-LLVKDONJSA-N 1 2 317.393 3.170 20 5 DGBDLO Cc1cnc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444683839 239324351 /nfs/dbraw/zinc/32/43/51/239324351.db2.gz JMCUQDVMXJEYBC-VIFPVBQESA-N 1 2 317.374 3.087 20 5 DGBDLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000450677494 240811995 /nfs/dbraw/zinc/81/19/95/240811995.db2.gz QULSKQAHJMPXEJ-VIFPVBQESA-N 1 2 304.375 3.175 20 5 DGBDLO Cc1cc(C)c(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c[nH+]1 ZINC000455082248 242104576 /nfs/dbraw/zinc/10/45/76/242104576.db2.gz JCYPCJZUPUKUTN-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000455159544 242122336 /nfs/dbraw/zinc/12/23/36/242122336.db2.gz FOSSVUCDFWZDEZ-NSHDSACASA-N 1 2 317.349 3.002 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000127821821 284353045 /nfs/dbraw/zinc/35/30/45/284353045.db2.gz MXWSBLGTMXAFGC-INIZCTEOSA-N 1 2 308.341 3.197 20 5 DGBDLO O=[N+]([O-])c1ccc(Sc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000018901184 182102981 /nfs/dbraw/zinc/10/29/81/182102981.db2.gz MEPJEVFLWBJLBG-UHFFFAOYSA-N 1 2 316.298 3.302 20 5 DGBDLO CCCc1csc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)n1 ZINC000494045753 246108211 /nfs/dbraw/zinc/10/82/11/246108211.db2.gz BZYKHBFGCQJWPL-UHFFFAOYSA-N 1 2 321.402 3.302 20 5 DGBDLO Cn1cc([C@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000493876679 246091368 /nfs/dbraw/zinc/09/13/68/246091368.db2.gz WOAHRWIPTSEADJ-CQSZACIVSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cc([C@H]2CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000493876679 246091372 /nfs/dbraw/zinc/09/13/72/246091372.db2.gz WOAHRWIPTSEADJ-CQSZACIVSA-N 1 2 320.780 3.319 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC000285260974 218355538 /nfs/dbraw/zinc/35/55/38/218355538.db2.gz IYJHTXPRYRUDKD-CABCVRRESA-N 1 2 312.316 3.016 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC000285260974 218355541 /nfs/dbraw/zinc/35/55/41/218355541.db2.gz IYJHTXPRYRUDKD-CABCVRRESA-N 1 2 312.316 3.016 20 5 DGBDLO CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000285476358 218460306 /nfs/dbraw/zinc/46/03/06/218460306.db2.gz CQRKTVYXXMXJNU-GFCCVEGCSA-N 1 2 305.294 3.035 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000337232015 253066721 /nfs/dbraw/zinc/06/67/21/253066721.db2.gz UZLPLITZLYPUHQ-AWEZNQCLSA-N 1 2 324.739 3.211 20 5 DGBDLO CC[C@@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000344435248 254270658 /nfs/dbraw/zinc/27/06/58/254270658.db2.gz FZIVCJXBOSQWQY-OAHLLOKOSA-N 1 2 321.402 3.480 20 5 DGBDLO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289490598 221013099 /nfs/dbraw/zinc/01/30/99/221013099.db2.gz JJHJQFKISOWWMJ-BDAKNGLRSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289490598 221013100 /nfs/dbraw/zinc/01/31/00/221013100.db2.gz JJHJQFKISOWWMJ-BDAKNGLRSA-N 1 2 319.188 3.104 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(F)c1 ZINC000289566897 221073799 /nfs/dbraw/zinc/07/37/99/221073799.db2.gz OBPGONAYDUNGTB-HZPDHXFCSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(F)c1 ZINC000289566897 221073800 /nfs/dbraw/zinc/07/38/00/221073800.db2.gz OBPGONAYDUNGTB-HZPDHXFCSA-N 1 2 320.364 3.267 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000595105342 400107941 /nfs/dbraw/zinc/10/79/41/400107941.db2.gz DGJDGEJFVAIBNW-VXGBXAGGSA-N 1 2 318.377 3.139 20 5 DGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccsc1 ZINC000007927065 400114146 /nfs/dbraw/zinc/11/41/46/400114146.db2.gz ZADSSVAEHUIVEQ-LLVKDONJSA-N 1 2 319.386 3.115 20 5 DGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccsc1 ZINC000007927065 400114151 /nfs/dbraw/zinc/11/41/51/400114151.db2.gz ZADSSVAEHUIVEQ-LLVKDONJSA-N 1 2 319.386 3.115 20 5 DGBDLO Cc1noc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595550309 400184758 /nfs/dbraw/zinc/18/47/58/400184758.db2.gz GXFDMFLOXOKDHR-SECBINFHSA-N 1 2 307.272 3.056 20 5 DGBDLO Cc1noc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595550309 400184761 /nfs/dbraw/zinc/18/47/61/400184761.db2.gz GXFDMFLOXOKDHR-SECBINFHSA-N 1 2 307.272 3.056 20 5 DGBDLO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000595296792 400121796 /nfs/dbraw/zinc/12/17/96/400121796.db2.gz KRXNHRVOGLNXCJ-UHFFFAOYSA-N 1 2 307.325 3.443 20 5 DGBDLO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000595296792 400121801 /nfs/dbraw/zinc/12/18/01/400121801.db2.gz KRXNHRVOGLNXCJ-UHFFFAOYSA-N 1 2 307.325 3.443 20 5 DGBDLO Cc1noc(C[N@H+](Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000595297831 400122413 /nfs/dbraw/zinc/12/24/13/400122413.db2.gz ZDEOQGUMNZECKT-UHFFFAOYSA-N 1 2 307.325 3.441 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000595297831 400122416 /nfs/dbraw/zinc/12/24/16/400122416.db2.gz ZDEOQGUMNZECKT-UHFFFAOYSA-N 1 2 307.325 3.441 20 5 DGBDLO Cc1cccn2cc(CNc3c(F)cc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000091628234 400128410 /nfs/dbraw/zinc/12/84/10/400128410.db2.gz GKMSKCAMVBRVCR-UHFFFAOYSA-N 1 2 318.283 3.441 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000595383913 400138121 /nfs/dbraw/zinc/13/81/21/400138121.db2.gz QOMRZKDBQABJMI-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000595383913 400138124 /nfs/dbraw/zinc/13/81/24/400138124.db2.gz QOMRZKDBQABJMI-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO CCOc1cccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595414501 400142553 /nfs/dbraw/zinc/14/25/53/400142553.db2.gz KTWWHVUSZWNFHO-JTQLQIEISA-N 1 2 305.334 3.141 20 5 DGBDLO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000595416767 400142948 /nfs/dbraw/zinc/14/29/48/400142948.db2.gz DBFNZUQALVJGLM-LBPRGKRZSA-N 1 2 311.288 3.410 20 5 DGBDLO COC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000595433529 400149530 /nfs/dbraw/zinc/14/95/30/400149530.db2.gz XKKCGKHNGMPPJZ-ZDUSSCGKSA-N 1 2 308.309 3.113 20 5 DGBDLO COC(=O)c1cc(-c2ccc(NC(C)C)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000600788294 400153580 /nfs/dbraw/zinc/15/35/80/400153580.db2.gz MCMMLPIJYAIZSR-UHFFFAOYSA-N 1 2 315.329 3.264 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1-c1ccc(NC[C@@H]2CCCO2)[nH+]c1 ZINC000600789914 400155022 /nfs/dbraw/zinc/15/50/22/400155022.db2.gz OILUFXDHHZEIHQ-ZDUSSCGKSA-N 1 2 317.320 3.387 20 5 DGBDLO Cc1noc(C[N@@H+]2CC[C@@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000595474964 400162795 /nfs/dbraw/zinc/16/27/95/400162795.db2.gz HIYRWXOLLLKXKG-INIZCTEOSA-N 1 2 319.336 3.270 20 5 DGBDLO Cc1noc(C[N@H+]2CC[C@@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000595474964 400162801 /nfs/dbraw/zinc/16/28/01/400162801.db2.gz HIYRWXOLLLKXKG-INIZCTEOSA-N 1 2 319.336 3.270 20 5 DGBDLO CCc1ncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000093338226 400240901 /nfs/dbraw/zinc/24/09/01/400240901.db2.gz UGBWKILJRPFULV-UHFFFAOYSA-N 1 2 303.387 3.172 20 5 DGBDLO CCc1ncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000093338226 400240903 /nfs/dbraw/zinc/24/09/03/400240903.db2.gz UGBWKILJRPFULV-UHFFFAOYSA-N 1 2 303.387 3.172 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000093645577 400251617 /nfs/dbraw/zinc/25/16/17/400251617.db2.gz POOAYHPCBRNNAL-KRWDZBQOSA-N 1 2 304.390 3.329 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000093645577 400251620 /nfs/dbraw/zinc/25/16/20/400251620.db2.gz POOAYHPCBRNNAL-KRWDZBQOSA-N 1 2 304.390 3.329 20 5 DGBDLO CCOc1cc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000092666280 400191447 /nfs/dbraw/zinc/19/14/47/400191447.db2.gz CJNKTLWGLDRDDG-CQSZACIVSA-N 1 2 316.361 3.448 20 5 DGBDLO C[C@]1(C2CC2)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000595617194 400207952 /nfs/dbraw/zinc/20/79/52/400207952.db2.gz GGSPGMDUWJVFOK-OAHLLOKOSA-N 1 2 310.781 3.249 20 5 DGBDLO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000595617194 400207957 /nfs/dbraw/zinc/20/79/57/400207957.db2.gz GGSPGMDUWJVFOK-OAHLLOKOSA-N 1 2 310.781 3.249 20 5 DGBDLO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610161269 400217428 /nfs/dbraw/zinc/21/74/28/400217428.db2.gz BPXMPPODGVRVQC-ZDUSSCGKSA-N 1 2 318.348 3.117 20 5 DGBDLO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610161269 400217430 /nfs/dbraw/zinc/21/74/30/400217430.db2.gz BPXMPPODGVRVQC-ZDUSSCGKSA-N 1 2 318.348 3.117 20 5 DGBDLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000595868679 400283479 /nfs/dbraw/zinc/28/34/79/400283479.db2.gz XXWIXPHZHRTDQE-HWPZZCPQSA-N 1 2 322.311 3.257 20 5 DGBDLO Cc1cc(N2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])s1 ZINC000596058391 400306202 /nfs/dbraw/zinc/30/62/02/400306202.db2.gz GQFNVOPZWVMRMB-UHFFFAOYSA-N 1 2 323.443 3.348 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000610821662 400311183 /nfs/dbraw/zinc/31/11/83/400311183.db2.gz PMOYRNSEHSHJTN-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000610821662 400311188 /nfs/dbraw/zinc/31/11/88/400311188.db2.gz PMOYRNSEHSHJTN-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO C[C@]1(C2CC2)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000596338742 400385112 /nfs/dbraw/zinc/38/51/12/400385112.db2.gz LNVFQPHMCNMVJX-QGZVFWFLSA-N 1 2 313.357 3.148 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+](Cc3ccccn3)C3CC3)nc2c1 ZINC000611319387 400377835 /nfs/dbraw/zinc/37/78/35/400377835.db2.gz ADGCXLUKXDPVTK-UHFFFAOYSA-N 1 2 324.340 3.296 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+](Cc3ccccn3)C3CC3)nc2c1 ZINC000611319387 400377841 /nfs/dbraw/zinc/37/78/41/400377841.db2.gz ADGCXLUKXDPVTK-UHFFFAOYSA-N 1 2 324.340 3.296 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2nc(C3CCC3)no2)cc1-n1cc[nH+]c1 ZINC000590777549 400433059 /nfs/dbraw/zinc/43/30/59/400433059.db2.gz BLRJOHXZDJXGCD-UHFFFAOYSA-N 1 2 311.301 3.098 20 5 DGBDLO C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000596495920 400428844 /nfs/dbraw/zinc/42/88/44/400428844.db2.gz YTXMHADDWDBJOM-NEPJUHHUSA-N 1 2 301.346 3.147 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000073349911 400445963 /nfs/dbraw/zinc/44/59/63/400445963.db2.gz UTOCIRHGSGFTDJ-UHFFFAOYSA-N 1 2 323.356 3.250 20 5 DGBDLO CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602435259 400461019 /nfs/dbraw/zinc/46/10/19/400461019.db2.gz KAMDUSYLCXHAEY-LBPRGKRZSA-N 1 2 318.295 3.224 20 5 DGBDLO CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602435259 400461022 /nfs/dbraw/zinc/46/10/22/400461022.db2.gz KAMDUSYLCXHAEY-LBPRGKRZSA-N 1 2 318.295 3.224 20 5 DGBDLO Cc1nc(C)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000602567692 400498651 /nfs/dbraw/zinc/49/86/51/400498651.db2.gz NCHNDDROQGDIRG-UHFFFAOYSA-N 1 2 318.358 3.099 20 5 DGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000130616035 400541476 /nfs/dbraw/zinc/54/14/76/400541476.db2.gz YBOOBJHFVITHGX-HNNXBMFYSA-N 1 2 318.352 3.411 20 5 DGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000130616035 400541481 /nfs/dbraw/zinc/54/14/81/400541481.db2.gz YBOOBJHFVITHGX-HNNXBMFYSA-N 1 2 318.352 3.411 20 5 DGBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](CC)CO1 ZINC000602697734 400542102 /nfs/dbraw/zinc/54/21/02/400542102.db2.gz HXOOLJNUYNSTKY-WCQYABFASA-N 1 2 319.361 3.125 20 5 DGBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](CC)CO1 ZINC000602697734 400542104 /nfs/dbraw/zinc/54/21/04/400542104.db2.gz HXOOLJNUYNSTKY-WCQYABFASA-N 1 2 319.361 3.125 20 5 DGBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c[nH+]1 ZINC000046484099 400565968 /nfs/dbraw/zinc/56/59/68/400565968.db2.gz GYHSPGHYIFRLSZ-UHFFFAOYSA-N 1 2 323.356 3.216 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000597254386 400600527 /nfs/dbraw/zinc/60/05/27/400600527.db2.gz BXGPSHHKSOMVIZ-ABAIWWIYSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000597254386 400600532 /nfs/dbraw/zinc/60/05/32/400600532.db2.gz BXGPSHHKSOMVIZ-ABAIWWIYSA-N 1 2 314.332 3.148 20 5 DGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047248207 400605982 /nfs/dbraw/zinc/60/59/82/400605982.db2.gz HJPIQPPLHYDBQN-UHFFFAOYSA-N 1 2 322.324 3.092 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nccs2)cc(C(F)(F)F)c1 ZINC000618730118 400676779 /nfs/dbraw/zinc/67/67/79/400676779.db2.gz UCNGCSQQIUGJNR-UHFFFAOYSA-N 1 2 317.292 3.360 20 5 DGBDLO CC(C)c1ccc(CNc2cc(CO)cc[nH+]2)cc1[N+](=O)[O-] ZINC000603433667 400686802 /nfs/dbraw/zinc/68/68/02/400686802.db2.gz VBIMLGJHFIPUFK-UHFFFAOYSA-N 1 2 301.346 3.218 20 5 DGBDLO COc1cc(C[NH2+][C@H](C)c2c(C)noc2C)c([N+](=O)[O-])cc1F ZINC000613383413 400707121 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CC(C)OCCCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599047093 400938172 /nfs/dbraw/zinc/93/81/72/400938172.db2.gz OVKXYVYDYUBECB-UHFFFAOYSA-N 1 2 303.362 3.394 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000599058087 400942442 /nfs/dbraw/zinc/94/24/42/400942442.db2.gz ITKYUQCXLNACHK-UONOGXRCSA-N 1 2 313.357 3.006 20 5 DGBDLO CCC[C@]1(CO)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599085704 400955023 /nfs/dbraw/zinc/95/50/23/400955023.db2.gz VJNBGSNHXPNSAR-KRWDZBQOSA-N 1 2 315.373 3.132 20 5 DGBDLO CO[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599067089 400945920 /nfs/dbraw/zinc/94/59/20/400945920.db2.gz XZRQPUBDUOKIDT-ZDUSSCGKSA-N 1 2 301.346 3.148 20 5 DGBDLO CC(C)[C@@H](O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599066836 400946139 /nfs/dbraw/zinc/94/61/39/400946139.db2.gz WIVSAJQXJGZDMJ-MRXNPFEDSA-N 1 2 315.373 3.352 20 5 DGBDLO O=[N+]([O-])c1c(NCCOCC2CCC2)ccc2c[nH+]ccc21 ZINC000599069841 400949050 /nfs/dbraw/zinc/94/90/50/400949050.db2.gz WBNDVNGXNMUTID-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@H](C2CCC2)C1 ZINC000599086206 400955381 /nfs/dbraw/zinc/95/53/81/400955381.db2.gz KIZDFCHMDYOJBI-MRXNPFEDSA-N 1 2 313.357 3.148 20 5 DGBDLO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCO1 ZINC000599073400 400950183 /nfs/dbraw/zinc/95/01/83/400950183.db2.gz CFRDBTKCJGNKSR-CYBMUJFWSA-N 1 2 301.346 3.148 20 5 DGBDLO CCC(O)(CC)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599079697 400953822 /nfs/dbraw/zinc/95/38/22/400953822.db2.gz NKLREBYFOQLCAZ-UHFFFAOYSA-N 1 2 303.362 3.496 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000599027749 400931984 /nfs/dbraw/zinc/93/19/84/400931984.db2.gz RCROGKDTIBVMPK-GFCCVEGCSA-N 1 2 319.386 3.227 20 5 DGBDLO COc1ccc[nH+]c1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599083306 400954243 /nfs/dbraw/zinc/95/42/43/400954243.db2.gz HJYUMABLBCOLTO-CQSZACIVSA-N 1 2 313.357 3.382 20 5 DGBDLO C[C@H]1CSCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 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CNDHQACNCACRIT-AOOOYVTPSA-N 1 2 324.331 3.194 20 5 DGBDLO Cc1c[nH+]c(CCNc2ncc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000594597404 401123662 /nfs/dbraw/zinc/12/36/62/401123662.db2.gz SOTYNIFKFBLXOW-UHFFFAOYSA-N 1 2 306.753 3.310 20 5 DGBDLO CC(=O)c1ccc(NCCc2[nH+]cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000594597460 401123824 /nfs/dbraw/zinc/12/38/24/401123824.db2.gz UVXCBICITDEFJE-UHFFFAOYSA-N 1 2 313.357 3.464 20 5 DGBDLO CCOc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000088494241 401202066 /nfs/dbraw/zinc/20/20/66/401202066.db2.gz SRRJJTJNRNVTAJ-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CCOc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000088494241 401202071 /nfs/dbraw/zinc/20/20/71/401202071.db2.gz SRRJJTJNRNVTAJ-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358769296 286148787 /nfs/dbraw/zinc/14/87/87/286148787.db2.gz PCDDXXNVJGNCIA-UHFFFAOYSA-N 1 2 322.280 3.241 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000359082858 286233003 /nfs/dbraw/zinc/23/30/03/286233003.db2.gz NHNIJLXZLWQBIK-UHFFFAOYSA-N 1 2 323.356 3.404 20 5 DGBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000194561046 165350323 /nfs/dbraw/zinc/35/03/23/165350323.db2.gz MKGUYLHLOMKNET-UHFFFAOYSA-N 1 2 323.356 3.211 20 5 DGBDLO Cc1c([C@@H](C)Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000413054793 230122696 /nfs/dbraw/zinc/12/26/96/230122696.db2.gz ROUDQAKIHZCSGI-SNVBAGLBSA-N 1 2 311.345 3.358 20 5 DGBDLO COCC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413129061 230137267 /nfs/dbraw/zinc/13/72/67/230137267.db2.gz BGRCZQRYDLCCHK-UHFFFAOYSA-N 1 2 301.346 3.006 20 5 DGBDLO CO[C@@H]1CCC[C@@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413218496 230155981 /nfs/dbraw/zinc/15/59/81/230155981.db2.gz AUAOWMRBIIBMML-IUODEOHRSA-N 1 2 301.346 3.370 20 5 DGBDLO CCc1[nH+]c(C)ccc1OCCOc1ccccc1[N+](=O)[O-] ZINC000352552781 265086957 /nfs/dbraw/zinc/08/69/57/265086957.db2.gz BWTGKLGKDLPJES-UHFFFAOYSA-N 1 2 302.330 3.318 20 5 DGBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000355274744 266023296 /nfs/dbraw/zinc/02/32/96/266023296.db2.gz DAIMTMFEEFEWGT-UKRRQHHQSA-N 1 2 322.405 3.381 20 5 DGBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000355274744 266023300 /nfs/dbraw/zinc/02/33/00/266023300.db2.gz DAIMTMFEEFEWGT-UKRRQHHQSA-N 1 2 322.405 3.381 20 5 DGBDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355788728 266185954 /nfs/dbraw/zinc/18/59/54/266185954.db2.gz QAHOYYGQRVHLEY-JTQLQIEISA-N 1 2 308.769 3.175 20 5 DGBDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355788728 266185957 /nfs/dbraw/zinc/18/59/57/266185957.db2.gz QAHOYYGQRVHLEY-JTQLQIEISA-N 1 2 308.769 3.175 20 5 DGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCCCCn1cc[nH+]c1 ZINC000530437099 430116457 /nfs/dbraw/zinc/11/64/57/430116457.db2.gz INJRMGDZPDQLBP-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000072058318 431328332 /nfs/dbraw/zinc/32/83/32/431328332.db2.gz LPYIZJPOSIOPMS-UHFFFAOYSA-N 1 2 308.297 3.237 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489225402 280374291 /nfs/dbraw/zinc/37/42/91/280374291.db2.gz VVBMAMHGFGUPIW-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489225402 280374296 /nfs/dbraw/zinc/37/42/96/280374296.db2.gz VVBMAMHGFGUPIW-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1c(F)cccc1NCCCCNc1cccc[nH+]1 ZINC000078616032 431688395 /nfs/dbraw/zinc/68/83/95/431688395.db2.gz RAPWKRIXMMCJCA-UHFFFAOYSA-N 1 2 304.325 3.433 20 5 DGBDLO O=C(C[N@@H+]1CCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123186291 431857209 /nfs/dbraw/zinc/85/72/09/431857209.db2.gz ZDUMFQQPAOLYNW-UHFFFAOYSA-N 1 2 323.780 3.063 20 5 DGBDLO O=C(C[N@H+]1CCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123186291 431857211 /nfs/dbraw/zinc/85/72/11/431857211.db2.gz ZDUMFQQPAOLYNW-UHFFFAOYSA-N 1 2 323.780 3.063 20 5 DGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000047514880 431911098 /nfs/dbraw/zinc/91/10/98/431911098.db2.gz LQIJVGBPCFEFFW-UHFFFAOYSA-N 1 2 308.297 3.033 20 5 DGBDLO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000090451538 431892283 /nfs/dbraw/zinc/89/22/83/431892283.db2.gz WOTNOUDIRCTSGF-QWHCGFSZSA-N 1 2 322.405 3.236 20 5 DGBDLO Cc1cc(C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000153894422 432454720 /nfs/dbraw/zinc/45/47/20/432454720.db2.gz KUEYNFALFYMXCP-UHFFFAOYSA-N 1 2 317.320 3.235 20 5 DGBDLO CCc1nc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000184681599 432421366 /nfs/dbraw/zinc/42/13/66/432421366.db2.gz VBRMBBRTAAPAFE-SNVBAGLBSA-N 1 2 321.402 3.473 20 5 DGBDLO O=[N+]([O-])c1cn(Cc2cn3cc(Cl)ccc3[nH+]2)nc1C1CC1 ZINC000185173350 432473726 /nfs/dbraw/zinc/47/37/26/432473726.db2.gz AZEIJFPLIHJQFW-UHFFFAOYSA-N 1 2 317.736 3.018 20 5 DGBDLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186412286 432592026 /nfs/dbraw/zinc/59/20/26/432592026.db2.gz JVJLWOSNVBIRBC-ZFWWWQNUSA-N 1 2 322.405 3.093 20 5 DGBDLO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000195115384 432603499 /nfs/dbraw/zinc/60/34/99/432603499.db2.gz CEDPCXCKESFVNK-UHFFFAOYSA-N 1 2 310.357 3.114 20 5 DGBDLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000195115384 432603500 /nfs/dbraw/zinc/60/35/00/432603500.db2.gz CEDPCXCKESFVNK-UHFFFAOYSA-N 1 2 310.357 3.114 20 5 DGBDLO CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])cc2C)c[nH+]1 ZINC000264455375 432648517 /nfs/dbraw/zinc/64/85/17/432648517.db2.gz IWXMSQLLGMTJNB-UHFFFAOYSA-N 1 2 315.377 3.152 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000274373404 432658876 /nfs/dbraw/zinc/65/88/76/432658876.db2.gz BPGKLBMTWFDBIN-LBPRGKRZSA-N 1 2 310.737 3.055 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(F)cc1F ZINC000237195625 432780013 /nfs/dbraw/zinc/78/00/13/432780013.db2.gz LUCQPMVGXXCXSW-UHFFFAOYSA-N 1 2 308.284 3.171 20 5 DGBDLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000266811767 432789057 /nfs/dbraw/zinc/78/90/57/432789057.db2.gz WDNKJOXOWJHKMI-BMIGLBTASA-N 1 2 322.311 3.257 20 5 DGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000289155182 432927841 /nfs/dbraw/zinc/92/78/41/432927841.db2.gz ZWKXWRNJYUACHZ-UHFFFAOYSA-N 1 2 305.403 3.354 20 5 DGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000289155182 432927843 /nfs/dbraw/zinc/92/78/43/432927843.db2.gz ZWKXWRNJYUACHZ-UHFFFAOYSA-N 1 2 305.403 3.354 20 5 DGBDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000289854437 432977119 /nfs/dbraw/zinc/97/71/19/432977119.db2.gz PVGMZIURZWOLMM-VIFPVBQESA-N 1 2 318.295 3.220 20 5 DGBDLO COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000289854437 432977122 /nfs/dbraw/zinc/97/71/22/432977122.db2.gz PVGMZIURZWOLMM-VIFPVBQESA-N 1 2 318.295 3.220 20 5 DGBDLO COc1cc[nH+]cc1COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000341387196 433044832 /nfs/dbraw/zinc/04/48/32/433044832.db2.gz IGGCUYIHWBCXKE-UHFFFAOYSA-N 1 2 311.297 3.126 20 5 DGBDLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000425597795 433313826 /nfs/dbraw/zinc/31/38/26/433313826.db2.gz ULYQBDAXEQCQAQ-JTQLQIEISA-N 1 2 317.320 3.488 20 5 DGBDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000447833872 433293961 /nfs/dbraw/zinc/29/39/61/433293961.db2.gz UVSJDBPQTNJLAZ-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000447833872 433293970 /nfs/dbraw/zinc/29/39/70/433293970.db2.gz UVSJDBPQTNJLAZ-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000281395433 433298334 /nfs/dbraw/zinc/29/83/34/433298334.db2.gz XCEBXPYFBUFTCG-CYBMUJFWSA-N 1 2 306.391 3.117 20 5 DGBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000281395433 433298340 /nfs/dbraw/zinc/29/83/40/433298340.db2.gz XCEBXPYFBUFTCG-CYBMUJFWSA-N 1 2 306.391 3.117 20 5 DGBDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339089219 433354986 /nfs/dbraw/zinc/35/49/86/433354986.db2.gz NIOCEUFOJBNXDZ-SJKOYZFVSA-N 1 2 313.357 3.279 20 5 DGBDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339089219 433354992 /nfs/dbraw/zinc/35/49/92/433354992.db2.gz NIOCEUFOJBNXDZ-SJKOYZFVSA-N 1 2 313.357 3.279 20 5 DGBDLO CO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000338959956 433327542 /nfs/dbraw/zinc/32/75/42/433327542.db2.gz HHCLHPVVELISFK-GFCCVEGCSA-N 1 2 318.295 3.224 20 5 DGBDLO CO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000338959956 433327556 /nfs/dbraw/zinc/32/75/56/433327556.db2.gz HHCLHPVVELISFK-GFCCVEGCSA-N 1 2 318.295 3.224 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000299139692 433330318 /nfs/dbraw/zinc/33/03/18/433330318.db2.gz IISZXTMEWZFNQH-UHFFFAOYSA-N 1 2 314.267 3.312 20 5 DGBDLO COc1ccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000339065091 433334178 /nfs/dbraw/zinc/33/41/78/433334178.db2.gz GURDZMQSMZHFIG-LLVKDONJSA-N 1 2 302.330 3.160 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420942571 433337360 /nfs/dbraw/zinc/33/73/60/433337360.db2.gz HDQOVTVZELKFAZ-JTQLQIEISA-N 1 2 318.295 3.465 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420942571 433337364 /nfs/dbraw/zinc/33/73/64/433337364.db2.gz HDQOVTVZELKFAZ-JTQLQIEISA-N 1 2 318.295 3.465 20 5 DGBDLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)ccc1[N+](=O)[O-] ZINC000301060003 433397124 /nfs/dbraw/zinc/39/71/24/433397124.db2.gz APAQAFXAHKZUFX-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000281903290 433421546 /nfs/dbraw/zinc/42/15/46/433421546.db2.gz FPJOGLPGZWIWBE-CYBMUJFWSA-N 1 2 315.377 3.246 20 5 DGBDLO CC(C)c1ccc(CNc2cccc(CO)[nH+]2)cc1[N+](=O)[O-] ZINC000351272557 433448387 /nfs/dbraw/zinc/44/83/87/433448387.db2.gz USLVLBQJLULNSM-UHFFFAOYSA-N 1 2 301.346 3.218 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2csnn2)cc1[N+](=O)[O-] ZINC000414309232 433534279 /nfs/dbraw/zinc/53/42/79/433534279.db2.gz UPOMRAZRUXWWGD-UWVGGRQHSA-N 1 2 322.390 3.257 20 5 DGBDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000342344041 433628335 /nfs/dbraw/zinc/62/83/35/433628335.db2.gz SLPJZWOYFXTHAK-GHMZBOCLSA-N 1 2 304.350 3.260 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301669953 433666577 /nfs/dbraw/zinc/66/65/77/433666577.db2.gz YJGDXGFMXGUUGQ-UHFFFAOYSA-N 1 2 311.345 3.068 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000357020604 433823747 /nfs/dbraw/zinc/82/37/47/433823747.db2.gz YEWOPUKYEHWGMV-ZDUSSCGKSA-N 1 2 322.405 3.381 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000357020604 433823754 /nfs/dbraw/zinc/82/37/54/433823754.db2.gz YEWOPUKYEHWGMV-ZDUSSCGKSA-N 1 2 322.405 3.381 20 5 DGBDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000351931666 433797435 /nfs/dbraw/zinc/79/74/35/433797435.db2.gz SPVJDAKHMQNPDP-LLVKDONJSA-N 1 2 314.345 3.489 20 5 DGBDLO CCOc1cc(Nc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301930823 433798337 /nfs/dbraw/zinc/79/83/37/433798337.db2.gz NCAGLPZQFUXJIB-UHFFFAOYSA-N 1 2 302.334 3.198 20 5 DGBDLO COc1ccc2[nH+]c(C)nc(NCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000301948108 433802941 /nfs/dbraw/zinc/80/29/41/433802941.db2.gz HVUYHMKJJUEQPK-UHFFFAOYSA-N 1 2 324.340 3.467 20 5 DGBDLO Nc1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c[nH+]1 ZINC000302776531 433860014 /nfs/dbraw/zinc/86/00/14/433860014.db2.gz OYRJXPUVNYPWSX-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO Cc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293948260 433937689 /nfs/dbraw/zinc/93/76/89/433937689.db2.gz IOZHZLXCHRKJNT-SJORKVTESA-N 1 2 302.374 3.047 20 5 DGBDLO Cc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293948260 433937694 /nfs/dbraw/zinc/93/76/94/433937694.db2.gz IOZHZLXCHRKJNT-SJORKVTESA-N 1 2 302.374 3.047 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000286235297 434202620 /nfs/dbraw/zinc/20/26/20/434202620.db2.gz UHWVIANEDUCYQY-UHFFFAOYSA-N 1 2 316.336 3.341 20 5 DGBDLO CC(C)OCCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286328997 434233422 /nfs/dbraw/zinc/23/34/22/434233422.db2.gz IAESOAAVMKENGK-UHFFFAOYSA-N 1 2 302.321 3.120 20 5 DGBDLO CC(C)OCCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286328997 434233436 /nfs/dbraw/zinc/23/34/36/434233436.db2.gz IAESOAAVMKENGK-UHFFFAOYSA-N 1 2 302.321 3.120 20 5 DGBDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000450677491 434336550 /nfs/dbraw/zinc/33/65/50/434336550.db2.gz QULSKQAHJMPXEJ-SECBINFHSA-N 1 2 304.375 3.175 20 5 DGBDLO Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000340771401 434350453 /nfs/dbraw/zinc/35/04/53/434350453.db2.gz ORXFZCKDCSDEGL-UHFFFAOYSA-N 1 2 300.362 3.453 20 5 DGBDLO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2[nH+]ccn21 ZINC000450835021 434431836 /nfs/dbraw/zinc/43/18/36/434431836.db2.gz WETQNMCUJFELMD-MFKMUULPSA-N 1 2 309.329 3.457 20 5 DGBDLO CC(=O)c1ccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450834420 434434229 /nfs/dbraw/zinc/43/42/29/434434229.db2.gz VKULBUNGCGDXDM-NOZJJQNGSA-N 1 2 300.318 3.112 20 5 DGBDLO Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)cc1[N+](=O)[O-] ZINC000360055159 434493770 /nfs/dbraw/zinc/49/37/70/434493770.db2.gz VBQOMFGXZXRQNQ-ZDUSSCGKSA-N 1 2 317.320 3.095 20 5 DGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000525669848 295024961 /nfs/dbraw/zinc/02/49/61/295024961.db2.gz YIQBBAYMJUBHMQ-UHFFFAOYSA-N 1 2 322.324 3.166 20 5 DGBDLO CC(C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000410453006 434646869 /nfs/dbraw/zinc/64/68/69/434646869.db2.gz VCJPKXWLZBURCV-UHFFFAOYSA-N 1 2 316.361 3.040 20 5 DGBDLO COc1cccc(NCc2cn3ccc(C)cc3[nH+]2)c1[N+](=O)[O-] ZINC000354307140 434714776 /nfs/dbraw/zinc/71/47/76/434714776.db2.gz ZHAKIMTWBJZBMC-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO CCc1cc(NCC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000515586074 435493779 /nfs/dbraw/zinc/49/37/79/435493779.db2.gz HQGLMUGTTYWMSP-UHFFFAOYSA-N 1 2 300.362 3.104 20 5 DGBDLO CCC(=O)c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000530381433 313363009 /nfs/dbraw/zinc/36/30/09/313363009.db2.gz ODAJXHOCJCDISA-UHFFFAOYSA-N 1 2 316.361 3.276 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C)s2)cc1[N+](=O)[O-] ZINC000542811526 314100415 /nfs/dbraw/zinc/10/04/15/314100415.db2.gz MTVOXNBYRVXSJL-VIFPVBQESA-N 1 2 322.390 3.004 20 5 DGBDLO CC1(C)CC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000553706046 314652465 /nfs/dbraw/zinc/65/24/65/314652465.db2.gz GRPCHTBFOBAFMD-INIZCTEOSA-N 1 2 319.405 3.028 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181561484 323259548 /nfs/dbraw/zinc/25/95/48/323259548.db2.gz QNBVIFBCLLOLCF-QGZVFWFLSA-N 1 2 312.369 3.038 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181561484 323259553 /nfs/dbraw/zinc/25/95/53/323259553.db2.gz QNBVIFBCLLOLCF-QGZVFWFLSA-N 1 2 312.369 3.038 20 5 DGBDLO COc1c(C)c[nH+]c(COc2c(C)c(C)ncc2[N+](=O)[O-])c1C ZINC000578644118 323763772 /nfs/dbraw/zinc/76/37/72/323763772.db2.gz NXBXIAZNRIJDSM-UHFFFAOYSA-N 1 2 317.345 3.206 20 5 DGBDLO Cc1c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000156994337 525706474 /nfs/dbraw/zinc/70/64/74/525706474.db2.gz ZOQARBBYJAWINC-HNNXBMFYSA-N 1 2 320.389 3.209 20 5 DGBDLO Cc1c(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000156994337 525706484 /nfs/dbraw/zinc/70/64/84/525706484.db2.gz ZOQARBBYJAWINC-HNNXBMFYSA-N 1 2 320.389 3.209 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOCC(F)(F)F)c2c1 ZINC000413049474 534884916 /nfs/dbraw/zinc/88/49/16/534884916.db2.gz SRDZYZWCYAYOOD-UHFFFAOYSA-N 1 2 315.251 3.134 20 5 DGBDLO CC(C)(C)Oc1cc(NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000302111253 526575630 /nfs/dbraw/zinc/57/56/30/526575630.db2.gz AMAYMLNAOVXCTO-UHFFFAOYSA-N 1 2 304.350 3.081 20 5 DGBDLO CC(C)CO[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413187791 528141559 /nfs/dbraw/zinc/14/15/59/528141559.db2.gz FPVKQUJDNGIXOD-HNNXBMFYSA-N 1 2 315.373 3.394 20 5 DGBDLO CCC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413211952 528402501 /nfs/dbraw/zinc/40/25/01/528402501.db2.gz QOTTVBPXZQQDRD-AWEZNQCLSA-N 1 2 301.346 3.148 20 5 DGBDLO CC(C)[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413326459 528753474 /nfs/dbraw/zinc/75/34/74/528753474.db2.gz LJGOSYXLFBXKHU-INIZCTEOSA-N 1 2 315.373 3.394 20 5 DGBDLO CCOC(=O)C[C@@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413212529 528860421 /nfs/dbraw/zinc/86/04/21/528860421.db2.gz RLOYVJHFAARBCX-LLVKDONJSA-N 1 2 317.345 3.144 20 5 DGBDLO CC(C)C[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729079651 575215244 /nfs/dbraw/zinc/21/52/44/575215244.db2.gz CXVSTYTZYHKHLQ-GFCCVEGCSA-N 1 2 317.345 3.372 20 5 DGBDLO NC(=[NH+]OCc1c(F)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000728910924 575193601 /nfs/dbraw/zinc/19/36/01/575193601.db2.gz YRVCOFZMBCZDGK-UHFFFAOYSA-N 1 2 323.711 3.434 20 5 DGBDLO Cc1ccc(NCc2nc(C[NH+](C)C)cs2)c([N+](=O)[O-])c1 ZINC000895484200 618791696 /nfs/dbraw/zinc/79/16/96/618791696.db2.gz GMJFKKMCAZYRQS-UHFFFAOYSA-N 1 2 306.391 3.033 20 5 DGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H](CF)C2)cc1Br ZINC000895567279 618801705 /nfs/dbraw/zinc/80/17/05/618801705.db2.gz GNRPDTUMOMCBRS-ZETCQYMHSA-N 1 2 323.187 3.210 20 5 DGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H](CF)C2)cc1Br ZINC000895567279 618801707 /nfs/dbraw/zinc/80/17/07/618801707.db2.gz GNRPDTUMOMCBRS-ZETCQYMHSA-N 1 2 323.187 3.210 20 5 DGBDLO COC(=O)c1sccc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000895833920 618839640 /nfs/dbraw/zinc/83/96/40/618839640.db2.gz QQLMXRULRAXCIO-UHFFFAOYSA-N 1 2 320.370 3.041 20 5 DGBDLO COCc1cc[nH+]c(N[C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)c1 ZINC000903196153 619734649 /nfs/dbraw/zinc/73/46/49/619734649.db2.gz INNNYMKECQJUNG-NSHDSACASA-N 1 2 317.345 3.318 20 5 DGBDLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cscn2)cc([N+](=O)[O-])c1 ZINC000903200462 619735433 /nfs/dbraw/zinc/73/54/33/619735433.db2.gz SEBZCBJLFBNBPC-ZJUUUORDSA-N 1 2 307.375 3.472 20 5 DGBDLO Cc1nn(C[N@@H+](C)Cc2c(C)cccc2C)c(C)c1[N+](=O)[O-] ZINC000904440409 619923158 /nfs/dbraw/zinc/92/31/58/619923158.db2.gz YZTJJMIFDRULSP-UHFFFAOYSA-N 1 2 302.378 3.114 20 5 DGBDLO Cc1nn(C[N@H+](C)Cc2c(C)cccc2C)c(C)c1[N+](=O)[O-] ZINC000904440409 619923159 /nfs/dbraw/zinc/92/31/59/619923159.db2.gz YZTJJMIFDRULSP-UHFFFAOYSA-N 1 2 302.378 3.114 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)cnc1Cl ZINC000921688210 620934325 /nfs/dbraw/zinc/93/43/25/620934325.db2.gz SRSIYKXVEZUEOY-UHFFFAOYSA-N 1 2 321.764 3.250 20 5 DGBDLO C[C@H]1[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000922556409 621057174 /nfs/dbraw/zinc/05/71/74/621057174.db2.gz GXHKYNBUVPRZQO-SWLSCSKDSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@H]1[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000922556409 621057175 /nfs/dbraw/zinc/05/71/75/621057175.db2.gz GXHKYNBUVPRZQO-SWLSCSKDSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)Cn1cc[nH+]c1 ZINC000865451201 621924764 /nfs/dbraw/zinc/92/47/64/621924764.db2.gz KKSABUMSGCIVFM-SNVBAGLBSA-N 1 2 310.304 3.477 20 5 DGBDLO CCOC(=O)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000768378907 622453558 /nfs/dbraw/zinc/45/35/58/622453558.db2.gz CCYRIGRBBMSVFW-UHFFFAOYSA-N 1 2 308.378 3.067 20 5 DGBDLO CCOC(=O)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000768378907 622453560 /nfs/dbraw/zinc/45/35/60/622453560.db2.gz CCYRIGRBBMSVFW-UHFFFAOYSA-N 1 2 308.378 3.067 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)c2ccsc2)c1 ZINC000769932648 622578515 /nfs/dbraw/zinc/57/85/15/622578515.db2.gz HBEGUVPZLJCOSW-ZDUSSCGKSA-N 1 2 312.778 3.133 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872032652 622763723 /nfs/dbraw/zinc/76/37/23/622763723.db2.gz XCHBEVPODIXDJU-SNVBAGLBSA-N 1 2 320.320 3.299 20 5 DGBDLO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051855 622777078 /nfs/dbraw/zinc/77/70/78/622777078.db2.gz NXNBVIGBLLAZMO-LLVKDONJSA-N 1 2 318.352 3.046 20 5 DGBDLO Cn1c(Cl)cnc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000775536576 623285655 /nfs/dbraw/zinc/28/56/55/623285655.db2.gz JQQWLUKCWWPJMU-UHFFFAOYSA-N 1 2 308.769 3.007 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000779859348 623823600 /nfs/dbraw/zinc/82/36/00/623823600.db2.gz JIMLREQCCPETNO-OAHLLOKOSA-N 1 2 300.362 3.203 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000779859348 623823607 /nfs/dbraw/zinc/82/36/07/623823607.db2.gz JIMLREQCCPETNO-OAHLLOKOSA-N 1 2 300.362 3.203 20 5 DGBDLO Cc1nn(C[NH+]2CCC(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000779865127 623824250 /nfs/dbraw/zinc/82/42/50/623824250.db2.gz MJENPWHUKQWKGT-UHFFFAOYSA-N 1 2 318.352 3.076 20 5 DGBDLO C[C@]1(F)CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000840100714 626759834 /nfs/dbraw/zinc/75/98/34/626759834.db2.gz WMDXTGMWICAXMA-INIZCTEOSA-N 1 2 318.352 3.240 20 5 DGBDLO C[C@]1(F)CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000840100714 626759836 /nfs/dbraw/zinc/75/98/36/626759836.db2.gz WMDXTGMWICAXMA-INIZCTEOSA-N 1 2 318.352 3.240 20 5 DGBDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1CO ZINC000809986087 626965976 /nfs/dbraw/zinc/96/59/76/626965976.db2.gz YIMVXFOKWCWLRT-QPUJVOFHSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1CO ZINC000809986087 626965979 /nfs/dbraw/zinc/96/59/79/626965979.db2.gz YIMVXFOKWCWLRT-QPUJVOFHSA-N 1 2 319.188 3.104 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(CNc2cc(NC3CC3)[nH+]cn2)c1 ZINC000840279416 627450413 /nfs/dbraw/zinc/45/04/13/627450413.db2.gz WTCGWEOVRLXDRL-UHFFFAOYSA-N 1 2 319.752 3.225 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(CNc2cc(NC3CC3)nc[nH+]2)c1 ZINC000840279416 627450417 /nfs/dbraw/zinc/45/04/17/627450417.db2.gz WTCGWEOVRLXDRL-UHFFFAOYSA-N 1 2 319.752 3.225 20 5 DGBDLO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000925496667 627579817 /nfs/dbraw/zinc/57/98/17/627579817.db2.gz RTYYWCHSHOONDX-VXGBXAGGSA-N 1 2 317.393 3.235 20 5 DGBDLO C[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815169274 627640149 /nfs/dbraw/zinc/64/01/49/627640149.db2.gz XWOVGYGCTAOIPR-MRXNPFEDSA-N 1 2 322.311 3.038 20 5 DGBDLO C[N@H+](Cc1c(F)cccc1F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815169274 627640150 /nfs/dbraw/zinc/64/01/50/627640150.db2.gz XWOVGYGCTAOIPR-MRXNPFEDSA-N 1 2 322.311 3.038 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC(n2cc[nH+]c2)CC1 ZINC000820644391 628281883 /nfs/dbraw/zinc/28/18/83/628281883.db2.gz AQOAAEXDTNSIPF-UHFFFAOYSA-N 1 2 324.743 3.425 20 5 DGBDLO C[C@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825316136 628748726 /nfs/dbraw/zinc/74/87/26/628748726.db2.gz KQMMZEVGAMWALQ-GZMMTYOYSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825316136 628748728 /nfs/dbraw/zinc/74/87/28/628748728.db2.gz KQMMZEVGAMWALQ-GZMMTYOYSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H]([NH2+]Cc1noc2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000830161823 629232921 /nfs/dbraw/zinc/23/29/21/629232921.db2.gz YNBAYNZEJYMRPJ-NSHDSACASA-N 1 2 301.346 3.312 20 5 DGBDLO COc1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000831948854 629430643 /nfs/dbraw/zinc/43/06/43/629430643.db2.gz HUZBPRMFNHZFMQ-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000831948854 629430644 /nfs/dbraw/zinc/43/06/44/629430644.db2.gz HUZBPRMFNHZFMQ-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000845483966 631178008 /nfs/dbraw/zinc/17/80/08/631178008.db2.gz PSPLAWWNMCRUFR-JTQLQIEISA-N 1 2 324.743 3.425 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc(F)n2)C2CC2)c1 ZINC000851816263 632502719 /nfs/dbraw/zinc/50/27/19/632502719.db2.gz FIUOFZPDYKHJOG-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccc(F)n2)C2CC2)c1 ZINC000851816263 632502723 /nfs/dbraw/zinc/50/27/23/632502723.db2.gz FIUOFZPDYKHJOG-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000852414234 632600434 /nfs/dbraw/zinc/60/04/34/632600434.db2.gz KPQPIIHVSDRXSE-UHFFFAOYSA-N 1 2 324.352 3.042 20 5 DGBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000852414234 632600435 /nfs/dbraw/zinc/60/04/35/632600435.db2.gz KPQPIIHVSDRXSE-UHFFFAOYSA-N 1 2 324.352 3.042 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC001332232139 1178400202 /nfs/dbraw/zinc/40/02/02/1178400202.db2.gz PCMFGVZMVBNVEB-VIFPVBQESA-N 1 2 307.375 3.464 20 5 DGBDLO Cc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)nc(C2CCC2)[nH+]1 ZINC001334158490 1178728882 /nfs/dbraw/zinc/72/88/82/1178728882.db2.gz YNFDRUYSQILUIN-UHFFFAOYSA-N 1 2 310.357 3.481 20 5 DGBDLO COc1c(O)ccc(C[N@H+](C)[C@@H](C)c2ccco2)c1[N+](=O)[O-] ZINC001351947769 1180265660 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Cc1cccnc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001460939312 1182742666 /nfs/dbraw/zinc/74/26/66/1182742666.db2.gz SONKIOCJVZBSKA-NSHDSACASA-N 1 2 312.329 3.290 20 5 DGBDLO COc1ccc(CNc2[nH]c3cc(C)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC001474248088 1183889387 /nfs/dbraw/zinc/88/93/87/1183889387.db2.gz GYCHGXZYDCEBRZ-UHFFFAOYSA-N 1 2 312.329 3.400 20 5 DGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1Cl ZINC001556481945 1189003519 /nfs/dbraw/zinc/00/35/19/1189003519.db2.gz JANLQWUSLDNYSD-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO O=C(Nc1c[nH+]ccc1Nc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC001557306819 1189056268 /nfs/dbraw/zinc/05/62/68/1189056268.db2.gz BASWZXKWNCUYTK-UHFFFAOYSA-N 1 2 324.296 3.001 20 5 DGBDLO CCOc1cc(C[N@H+]2C[C@@H](CC)O[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC001559925314 1189257971 /nfs/dbraw/zinc/25/79/71/1189257971.db2.gz QDMOTFNQVIIIHO-GASCZTMLSA-N 1 2 322.405 3.383 20 5 DGBDLO CCOc1cc(C[N@@H+]2C[C@@H](CC)O[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC001559925314 1189257974 /nfs/dbraw/zinc/25/79/74/1189257974.db2.gz QDMOTFNQVIIIHO-GASCZTMLSA-N 1 2 322.405 3.383 20 5 DGBDLO CCn1cnc(Cl)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001560825868 1189387979 /nfs/dbraw/zinc/38/79/79/1189387979.db2.gz ZRKFEDZFIVNWHG-UHFFFAOYSA-N 1 2 322.796 3.139 20 5 DGBDLO CCn1cnc(Cl)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001560825868 1189387985 /nfs/dbraw/zinc/38/79/85/1189387985.db2.gz ZRKFEDZFIVNWHG-UHFFFAOYSA-N 1 2 322.796 3.139 20 5 DGBDLO CCCCO[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC001653554651 1195733758 /nfs/dbraw/zinc/73/37/58/1195733758.db2.gz GULMBIGNZRTQQZ-JKSUJKDBSA-N 1 2 322.405 3.374 20 5 DGBDLO CC1CC[NH+](c2ccc(Nc3c([N+](=O)[O-])cnn3C)cc2)CC1 ZINC001655166949 1195885489 /nfs/dbraw/zinc/88/54/89/1195885489.db2.gz CHPANSRCPWCNGY-UHFFFAOYSA-N 1 2 315.377 3.308 20 5 DGBDLO COc1cc(C)ccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001657496882 1196149005 /nfs/dbraw/zinc/14/90/05/1196149005.db2.gz FEWMRGDBKUEJNG-UHFFFAOYSA-N 1 2 312.369 3.470 20 5 DGBDLO COc1cc(C)ccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001657496882 1196149009 /nfs/dbraw/zinc/14/90/09/1196149009.db2.gz FEWMRGDBKUEJNG-UHFFFAOYSA-N 1 2 312.369 3.470 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(F)c1 ZINC001664483541 1197004907 /nfs/dbraw/zinc/00/49/07/1197004907.db2.gz PCDZGYCQZPLCBC-UHFFFAOYSA-N 1 2 314.320 3.208 20 5 DGBDLO Nc1cc(CNc2ncnc3cc4ccccc4cc32)cc[nH+]1 ZINC001167617426 1082610986 /nfs/dbraw/zinc/61/09/86/1082610986.db2.gz QBGNRFXZIXQPRU-UHFFFAOYSA-N 1 2 301.353 3.372 20 5 DGBDLO Cc1cccc2[nH+]c(CCNc3ccc([N+](=O)[O-])cc3F)cn21 ZINC001186895493 1084719145 /nfs/dbraw/zinc/71/91/45/1084719145.db2.gz DSGVFEFCKXJCSU-UHFFFAOYSA-N 1 2 314.320 3.345 20 5 DGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)c[nH+]1 ZINC001127647059 1089993882 /nfs/dbraw/zinc/99/38/82/1089993882.db2.gz XKIMDUFPEBVOIQ-UHFFFAOYSA-N 1 2 319.748 3.243 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@H]2c2ccccc2Cl)C1 ZINC001169047628 1092508237 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COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H]2CF)c1F ZINC001173194648 1097358717 /nfs/dbraw/zinc/35/87/17/1097358717.db2.gz XMUSWTNWRZNYOQ-WDEREUQCSA-N 1 2 314.332 3.107 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001229949877 1097415833 /nfs/dbraw/zinc/41/58/33/1097415833.db2.gz HJUSHODGZASURD-GOSISDBHSA-N 1 2 321.336 3.327 20 5 DGBDLO C[N@@H+]1CCO[C@@H](COc2nccc3c4ccccc4ccc32)C1 ZINC001230203704 1097457341 /nfs/dbraw/zinc/45/73/41/1097457341.db2.gz WHAJXPOYBHZIFJ-OAHLLOKOSA-N 1 2 308.381 3.097 20 5 DGBDLO C[N@H+]1CCO[C@@H](COc2nccc3c4ccccc4ccc32)C1 ZINC001230203704 1097457345 /nfs/dbraw/zinc/45/73/45/1097457345.db2.gz WHAJXPOYBHZIFJ-OAHLLOKOSA-N 1 2 308.381 3.097 20 5 DGBDLO c1cnc2c(c1)ccc1ccc(C[NH+]3CC4(C3)CCCO4)nc12 ZINC001232219067 1097971522 /nfs/dbraw/zinc/97/15/22/1097971522.db2.gz QEDQDGGLIOSZGD-UHFFFAOYSA-N 1 2 305.381 3.148 20 5 DGBDLO Cc1ncc([N+](=O)[O-])cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001249545191 1105309341 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COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000430215071 238071319 /nfs/dbraw/zinc/07/13/19/238071319.db2.gz CXZJVMPMPHLEQG-GFCCVEGCSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000430215071 238071321 /nfs/dbraw/zinc/07/13/21/238071321.db2.gz CXZJVMPMPHLEQG-GFCCVEGCSA-N 1 2 301.346 3.191 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000441164204 239015836 /nfs/dbraw/zinc/01/58/36/239015836.db2.gz GTQMOGBLQAWPRW-MLGOLLRUSA-N 1 2 302.330 3.322 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000441164204 239015838 /nfs/dbraw/zinc/01/58/38/239015838.db2.gz GTQMOGBLQAWPRW-MLGOLLRUSA-N 1 2 302.330 3.322 20 5 DGBDLO C/C=C/C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000449288313 240110086 /nfs/dbraw/zinc/11/00/86/240110086.db2.gz ZIEGYYIDLSUTMT-HNLSUCLVSA-N 1 2 320.389 3.013 20 5 DGBDLO C/C=C/C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000449288317 240110457 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5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000093841262 193316393 /nfs/dbraw/zinc/31/63/93/193316393.db2.gz NJVKDEGTCVTYGB-ZVVFDCPKSA-N 1 2 314.341 3.275 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000093841262 193316394 /nfs/dbraw/zinc/31/63/94/193316394.db2.gz NJVKDEGTCVTYGB-ZVVFDCPKSA-N 1 2 314.341 3.275 20 5 DGBDLO Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000121602405 284202049 /nfs/dbraw/zinc/20/20/49/284202049.db2.gz MNYMXSIPCDKQBC-VMPITWQZSA-N 1 2 315.304 3.398 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1[N+](=O)[O-] ZINC000288486820 220174101 /nfs/dbraw/zinc/17/41/01/220174101.db2.gz QKYNXBJLACRELV-UHFFFAOYSA-N 1 2 301.346 3.060 20 5 DGBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000493631517 246028188 /nfs/dbraw/zinc/02/81/88/246028188.db2.gz CUTBOJJAOKRTAQ-INIZCTEOSA-N 1 2 320.776 3.414 20 5 DGBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000493631517 246028192 /nfs/dbraw/zinc/02/81/92/246028192.db2.gz CUTBOJJAOKRTAQ-INIZCTEOSA-N 1 2 320.776 3.414 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1O ZINC000267393816 206034451 /nfs/dbraw/zinc/03/44/51/206034451.db2.gz PJAYDKDYVVYDIF-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1O ZINC000267393816 206034455 /nfs/dbraw/zinc/03/44/55/206034455.db2.gz PJAYDKDYVVYDIF-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CCO)c1ccco1 ZINC000274373403 211557670 /nfs/dbraw/zinc/55/76/70/211557670.db2.gz BPGKLBMTWFDBIN-GFCCVEGCSA-N 1 2 310.737 3.055 20 5 DGBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000112078063 285079769 /nfs/dbraw/zinc/07/97/69/285079769.db2.gz KRKMBZPGSJIVNB-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO COc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000270168062 208228972 /nfs/dbraw/zinc/22/89/72/208228972.db2.gz JMLOIWCWYDJWBR-UHFFFAOYSA-N 1 2 316.279 3.298 20 5 DGBDLO COc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000270168062 208228975 /nfs/dbraw/zinc/22/89/75/208228975.db2.gz JMLOIWCWYDJWBR-UHFFFAOYSA-N 1 2 316.279 3.298 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCn2c[nH+]cc2C1 ZINC000357563366 285088159 /nfs/dbraw/zinc/08/81/59/285088159.db2.gz HVVQZULQUBBBIH-UHFFFAOYSA-N 1 2 313.144 3.118 20 5 DGBDLO Cc1c(C[N@@H+]2CCOc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000338322123 253264857 /nfs/dbraw/zinc/26/48/57/253264857.db2.gz VBVSTWLJLCLQHS-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1c(C[N@H+]2CCOc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000338322123 253264858 /nfs/dbraw/zinc/26/48/58/253264858.db2.gz VBVSTWLJLCLQHS-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000338961102 253380437 /nfs/dbraw/zinc/38/04/37/253380437.db2.gz GCIQBVSSYRESGX-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1ccc(C[N@H+]2CCOc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000338961102 253380440 /nfs/dbraw/zinc/38/04/40/253380440.db2.gz GCIQBVSSYRESGX-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO COc1ccccc1C(C)(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339032717 253393819 /nfs/dbraw/zinc/39/38/19/253393819.db2.gz HAXPWTFZEYFETR-UHFFFAOYSA-N 1 2 316.357 3.334 20 5 DGBDLO Cc1nc(C(C)(C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])sc1C ZINC000344445949 254271452 /nfs/dbraw/zinc/27/14/52/254271452.db2.gz KKEFIOYHAGHGDD-UHFFFAOYSA-N 1 2 321.402 3.399 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000289658958 221135408 /nfs/dbraw/zinc/13/54/08/221135408.db2.gz NBNOXNPQCBPZNN-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO Cc1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000289658958 221135410 /nfs/dbraw/zinc/13/54/10/221135410.db2.gz NBNOXNPQCBPZNN-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO COc1cccc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000302668928 533619266 /nfs/dbraw/zinc/61/92/66/533619266.db2.gz NGYOHQJAAKKNKF-UHFFFAOYSA-N 1 2 324.340 3.401 20 5 DGBDLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052927 400090754 /nfs/dbraw/zinc/09/07/54/400090754.db2.gz TVHSJWBQQUJQME-NEPJUHHUSA-N 1 2 318.377 3.232 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000595034846 400083993 /nfs/dbraw/zinc/08/39/93/400083993.db2.gz YOGAVZCHPQSNNY-BDAKNGLRSA-N 1 2 322.390 3.175 20 5 DGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000003536905 400084059 /nfs/dbraw/zinc/08/40/59/400084059.db2.gz BWPGDADAOVZJHF-SNVBAGLBSA-N 1 2 311.769 3.061 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccn[nH]3)s2)cc1 ZINC000609620531 400181659 /nfs/dbraw/zinc/18/16/59/400181659.db2.gz UIBAJSVBHFTQTE-UHFFFAOYSA-N 1 2 314.370 3.336 20 5 DGBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000595295867 400120529 /nfs/dbraw/zinc/12/05/29/400120529.db2.gz UPRJEIWANSPZKP-LBPRGKRZSA-N 1 2 319.361 3.483 20 5 DGBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000595295867 400120532 /nfs/dbraw/zinc/12/05/32/400120532.db2.gz UPRJEIWANSPZKP-LBPRGKRZSA-N 1 2 319.361 3.483 20 5 DGBDLO Cc1cnc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000091506279 400125518 /nfs/dbraw/zinc/12/55/18/400125518.db2.gz BQYVJOACUKPBRO-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1onc(C)c1[N+](=O)[O-])CCC2 ZINC000595375602 400136642 /nfs/dbraw/zinc/13/66/42/400136642.db2.gz SQRKYTHKDSALOI-LLVKDONJSA-N 1 2 322.390 3.166 20 5 DGBDLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1onc(C)c1[N+](=O)[O-])CCC2 ZINC000595375602 400136647 /nfs/dbraw/zinc/13/66/47/400136647.db2.gz SQRKYTHKDSALOI-LLVKDONJSA-N 1 2 322.390 3.166 20 5 DGBDLO Cc1cc(N[C@@H]2CCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000609193694 400149589 /nfs/dbraw/zinc/14/95/89/400149589.db2.gz XHTZSCZTCRATPD-IAQYHMDHSA-N 1 2 312.373 3.383 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cs1 ZINC000595821962 400270708 /nfs/dbraw/zinc/27/07/08/400270708.db2.gz KADPBXQIEOSWDN-UHFFFAOYSA-N 1 2 308.403 3.047 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cs1 ZINC000595821962 400270712 /nfs/dbraw/zinc/27/07/12/400270712.db2.gz KADPBXQIEOSWDN-UHFFFAOYSA-N 1 2 308.403 3.047 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3c3ccccn3)nc2c1 ZINC000610582243 400277620 /nfs/dbraw/zinc/27/76/20/400277620.db2.gz PYODPUGMOLNGDW-OAHLLOKOSA-N 1 2 324.340 3.468 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3c3ccccn3)nc2c1 ZINC000610582243 400277626 /nfs/dbraw/zinc/27/76/26/400277626.db2.gz PYODPUGMOLNGDW-OAHLLOKOSA-N 1 2 324.340 3.468 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3c3ccccn3)nc2c1 ZINC000610582242 400278007 /nfs/dbraw/zinc/27/80/07/400278007.db2.gz PYODPUGMOLNGDW-HNNXBMFYSA-N 1 2 324.340 3.468 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3c3ccccn3)nc2c1 ZINC000610582242 400278016 /nfs/dbraw/zinc/27/80/16/400278016.db2.gz PYODPUGMOLNGDW-HNNXBMFYSA-N 1 2 324.340 3.468 20 5 DGBDLO CC[N@H+](Cc1ccoc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581388 400278555 /nfs/dbraw/zinc/27/85/55/400278555.db2.gz PGRQJOXSFGZSKD-UHFFFAOYSA-N 1 2 301.302 3.351 20 5 DGBDLO CC[N@@H+](Cc1ccoc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581388 400278558 /nfs/dbraw/zinc/27/85/58/400278558.db2.gz PGRQJOXSFGZSKD-UHFFFAOYSA-N 1 2 301.302 3.351 20 5 DGBDLO C[N@H+](Cc1ccsc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580741 400278713 /nfs/dbraw/zinc/27/87/13/400278713.db2.gz ANVYVJXDAQLZIF-UHFFFAOYSA-N 1 2 303.343 3.430 20 5 DGBDLO C[N@@H+](Cc1ccsc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580741 400278717 /nfs/dbraw/zinc/27/87/17/400278717.db2.gz ANVYVJXDAQLZIF-UHFFFAOYSA-N 1 2 303.343 3.430 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595887702 400288117 /nfs/dbraw/zinc/28/81/17/400288117.db2.gz BEIAIWWXUXYWMJ-MFKMUULPSA-N 1 2 318.295 3.137 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595887702 400288123 /nfs/dbraw/zinc/28/81/23/400288123.db2.gz BEIAIWWXUXYWMJ-MFKMUULPSA-N 1 2 318.295 3.137 20 5 DGBDLO Cn1ncc(C2CC2)c1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596473244 400422881 /nfs/dbraw/zinc/42/28/81/400422881.db2.gz QFODEXQDBQHHOQ-UHFFFAOYSA-N 1 2 323.356 3.366 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3CCC(O)CC3)c2c1 ZINC000596512278 400433965 /nfs/dbraw/zinc/43/39/65/400433965.db2.gz CCCQPHIEXBPUPD-UHFFFAOYSA-N 1 2 301.346 3.106 20 5 DGBDLO CC1(C)CC(Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000596550898 400442648 /nfs/dbraw/zinc/44/26/48/400442648.db2.gz AKEMBMMUPDYWBE-UHFFFAOYSA-N 1 2 319.405 3.028 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](c4cc[nH]n4)C3)c2c1 ZINC000591139863 400492326 /nfs/dbraw/zinc/49/23/26/400492326.db2.gz BIYBZSHOPXAKNJ-ZDUSSCGKSA-N 1 2 323.356 3.250 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000046577559 400571262 /nfs/dbraw/zinc/57/12/62/400571262.db2.gz DFGXOEPBJVULBN-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000046577559 400571264 /nfs/dbraw/zinc/57/12/64/400571264.db2.gz DFGXOEPBJVULBN-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCCNc2cccc[nH+]2)c2ccncc21 ZINC000047405372 400614158 /nfs/dbraw/zinc/61/41/58/400614158.db2.gz VQSIGJDPSUUUNN-UHFFFAOYSA-N 1 2 323.356 3.452 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000592186943 400620964 /nfs/dbraw/zinc/62/09/64/400620964.db2.gz BMOCTMIQVKZZFO-NSHDSACASA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000592186943 400620967 /nfs/dbraw/zinc/62/09/67/400620967.db2.gz BMOCTMIQVKZZFO-NSHDSACASA-N 1 2 310.781 3.392 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])cc1F ZINC000613286003 400690156 /nfs/dbraw/zinc/69/01/56/400690156.db2.gz QYTNYCHGKLHOMZ-UHFFFAOYSA-N 1 2 310.350 3.436 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2ccsc2)c([N+](=O)[O-])cc1F ZINC000613286003 400690160 /nfs/dbraw/zinc/69/01/60/400690160.db2.gz QYTNYCHGKLHOMZ-UHFFFAOYSA-N 1 2 310.350 3.436 20 5 DGBDLO CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000604525175 400783874 /nfs/dbraw/zinc/78/38/74/400783874.db2.gz JGCZDACYMSDOPZ-UHFFFAOYSA-N 1 2 302.321 3.341 20 5 DGBDLO CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000604525175 400783878 /nfs/dbraw/zinc/78/38/78/400783878.db2.gz JGCZDACYMSDOPZ-UHFFFAOYSA-N 1 2 302.321 3.341 20 5 DGBDLO O=[N+]([O-])c1ccccc1OCCSc1[nH+]cc2ccccn21 ZINC000053509696 400788674 /nfs/dbraw/zinc/78/86/74/400788674.db2.gz KZUSMYOXXCDVKT-UHFFFAOYSA-N 1 2 315.354 3.414 20 5 DGBDLO O=[N+]([O-])c1c(NCCCCn2cc[nH+]c2)ccc2cnccc21 ZINC000599061740 400945260 /nfs/dbraw/zinc/94/52/60/400945260.db2.gz FVIZZXUPUGDCEF-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO CC(C)OC(=O)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599068167 400948286 /nfs/dbraw/zinc/94/82/86/400948286.db2.gz LHHPBEAVRWUWHI-UHFFFAOYSA-N 1 2 317.345 3.287 20 5 DGBDLO O=[N+]([O-])c1ccn(C2CCN(c3[nH+]ccc4ccccc43)CC2)n1 ZINC000599072775 400950197 /nfs/dbraw/zinc/95/01/97/400950197.db2.gz HSNIDJDAYIFNJF-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000619747708 400898692 /nfs/dbraw/zinc/89/86/92/400898692.db2.gz IKUDVOFISAFVQJ-UHFFFAOYSA-N 1 2 314.389 3.361 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000598993324 400923513 /nfs/dbraw/zinc/92/35/13/400923513.db2.gz KLRSUTMKLMNUHF-KRWDZBQOSA-N 1 2 313.357 3.326 20 5 DGBDLO CO[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000599082455 400953986 /nfs/dbraw/zinc/95/39/86/400953986.db2.gz CHLPHNSJPDRHJM-NHYWBVRUSA-N 1 2 301.346 3.004 20 5 DGBDLO C[C@@H]1COCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599081279 400954213 /nfs/dbraw/zinc/95/42/13/400954213.db2.gz KYMKDSGWRCXSBL-NEPJUHHUSA-N 1 2 301.346 3.228 20 5 DGBDLO CC[C@@H](C)C[C@@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599094404 400958300 /nfs/dbraw/zinc/95/83/00/400958300.db2.gz HIEPQTPKMNCBIB-YPMHNXCESA-N 1 2 303.362 3.352 20 5 DGBDLO O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H](CO)C2)ccc2c[nH+]ccc21 ZINC000599092974 400958882 /nfs/dbraw/zinc/95/88/82/400958882.db2.gz SJAUEOAIQAVEFP-DGCLKSJQSA-N 1 2 301.346 3.106 20 5 DGBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC2(CCC2)O1 ZINC000599092437 400959092 /nfs/dbraw/zinc/95/90/92/400959092.db2.gz GZUCOGVWASZIBS-LBPRGKRZSA-N 1 2 313.357 3.291 20 5 DGBDLO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)Cn1cc[nH+]c1 ZINC000060380136 401111787 /nfs/dbraw/zinc/11/17/87/401111787.db2.gz HKOUAWRONXEFFV-GFCCVEGCSA-N 1 2 311.345 3.088 20 5 DGBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000599627323 401095439 /nfs/dbraw/zinc/09/54/39/401095439.db2.gz KHCHNBITVAULTE-MRVPVSSYSA-N 1 2 306.259 3.493 20 5 DGBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000599627323 401095441 /nfs/dbraw/zinc/09/54/41/401095441.db2.gz KHCHNBITVAULTE-MRVPVSSYSA-N 1 2 306.259 3.493 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000595022171 401235861 /nfs/dbraw/zinc/23/58/61/401235861.db2.gz KATMVPBXTNFHPH-QMTHXVAHSA-N 1 2 316.361 3.055 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000595022171 401235866 /nfs/dbraw/zinc/23/58/66/401235866.db2.gz KATMVPBXTNFHPH-QMTHXVAHSA-N 1 2 316.361 3.055 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000358434507 286061826 /nfs/dbraw/zinc/06/18/26/286061826.db2.gz JVERQHYTLRMOSX-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO CCC(=O)c1ccc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000359583675 286341651 /nfs/dbraw/zinc/34/16/51/286341651.db2.gz FHACIZMCOLVXFE-UHFFFAOYSA-N 1 2 324.340 3.447 20 5 DGBDLO Cc1cc(N[C@H](c2[nH+]ccn2C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000359968914 286399136 /nfs/dbraw/zinc/39/91/36/286399136.db2.gz SDLMUWCDCPDSQX-AWEZNQCLSA-N 1 2 304.325 3.339 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000360686571 286520415 /nfs/dbraw/zinc/52/04/15/286520415.db2.gz XPOJRLXSSBFDPQ-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DGBDLO CCOc1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000365190986 287108311 /nfs/dbraw/zinc/10/83/11/287108311.db2.gz IXPLGANDFYXGGH-CQSZACIVSA-N 1 2 316.361 3.054 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000441164200 287152658 /nfs/dbraw/zinc/15/26/58/287152658.db2.gz GTQMOGBLQAWPRW-BLLLJJGKSA-N 1 2 302.330 3.322 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000441164200 287152659 /nfs/dbraw/zinc/15/26/59/287152659.db2.gz GTQMOGBLQAWPRW-BLLLJJGKSA-N 1 2 302.330 3.322 20 5 DGBDLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000182127395 432159885 /nfs/dbraw/zinc/15/98/85/432159885.db2.gz LIRQJGXIRHUZQM-HNNXBMFYSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000182127395 432159886 /nfs/dbraw/zinc/15/98/86/432159886.db2.gz LIRQJGXIRHUZQM-HNNXBMFYSA-N 1 2 320.780 3.319 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000129492173 196053186 /nfs/dbraw/zinc/05/31/86/196053186.db2.gz YCQOPOUKAYTROA-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000129492173 196053188 /nfs/dbraw/zinc/05/31/88/196053188.db2.gz YCQOPOUKAYTROA-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1OCc1c(C)[nH+]c2ccccn21 ZINC000133166751 196317899 /nfs/dbraw/zinc/31/78/99/196317899.db2.gz IAQTULUCBHABFB-UHFFFAOYSA-N 1 2 313.313 3.139 20 5 DGBDLO C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134052694 196357265 /nfs/dbraw/zinc/35/72/65/196357265.db2.gz QYHRWKUHLUQQRG-ABAIWWIYSA-N 1 2 304.325 3.018 20 5 DGBDLO C[C@@H]1C[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413215337 230156561 /nfs/dbraw/zinc/15/65/61/230156561.db2.gz ABIWVKBCWOPQKQ-VXGBXAGGSA-N 1 2 301.346 3.370 20 5 DGBDLO CO[C@@H]1CCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413218498 230156793 /nfs/dbraw/zinc/15/67/93/230156793.db2.gz AUAOWMRBIIBMML-SWLSCSKDSA-N 1 2 301.346 3.370 20 5 DGBDLO C[C@@H]1CCC[C@]1(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413291556 230180544 /nfs/dbraw/zinc/18/05/44/230180544.db2.gz DZWCLOBGAJQNJI-BZNIZROVSA-N 1 2 301.346 3.106 20 5 DGBDLO C[C@@H]1C[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@H](C)O1 ZINC000413532208 230255593 /nfs/dbraw/zinc/25/55/93/230255593.db2.gz MSDKPQDQXFVBHI-WZRBSPASSA-N 1 2 301.346 3.368 20 5 DGBDLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000351749463 264804314 /nfs/dbraw/zinc/80/43/14/264804314.db2.gz VDYRPPOLHQNSEM-UHFFFAOYSA-N 1 2 324.296 3.363 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352441193 265050479 /nfs/dbraw/zinc/05/04/79/265050479.db2.gz UAEAJRBSAAWRHR-JKSUJKDBSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352441193 265050482 /nfs/dbraw/zinc/05/04/82/265050482.db2.gz UAEAJRBSAAWRHR-JKSUJKDBSA-N 1 2 320.364 3.267 20 5 DGBDLO CN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000352692415 265130864 /nfs/dbraw/zinc/13/08/64/265130864.db2.gz FZXZZDCJOKZRCG-UHFFFAOYSA-N 1 2 315.348 3.186 20 5 DGBDLO CN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000352692415 265130866 /nfs/dbraw/zinc/13/08/66/265130866.db2.gz FZXZZDCJOKZRCG-UHFFFAOYSA-N 1 2 315.348 3.186 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1)CCO2 ZINC000352708478 265136381 /nfs/dbraw/zinc/13/63/81/265136381.db2.gz WOVKQSOKUMEYRE-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)CCO2 ZINC000352708478 265136383 /nfs/dbraw/zinc/13/63/83/265136383.db2.gz WOVKQSOKUMEYRE-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000353222107 265348536 /nfs/dbraw/zinc/34/85/36/265348536.db2.gz UFBMHQDZODPLGQ-VIFPVBQESA-N 1 2 323.299 3.127 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2CC(C)C)cc1[N+](=O)[O-] ZINC000183112917 432260113 /nfs/dbraw/zinc/26/01/13/432260113.db2.gz WOTFCRMFKBDXAT-ZDUSSCGKSA-N 1 2 317.393 3.002 20 5 DGBDLO CCOCCCNc1ccc(-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000600783672 430533532 /nfs/dbraw/zinc/53/35/32/430533532.db2.gz GGPGDHNQCAFBQV-UHFFFAOYSA-N 1 2 301.346 3.495 20 5 DGBDLO O=[N+]([O-])c1ccccc1CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000601104638 430535410 /nfs/dbraw/zinc/53/54/10/430535410.db2.gz BWTOKZITDNDQHJ-UHFFFAOYSA-N 1 2 309.329 3.356 20 5 DGBDLO C[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)c2nccn21 ZINC000413314250 278030992 /nfs/dbraw/zinc/03/09/92/278030992.db2.gz IYTKXOUXLMSTBU-YGRLFVJLSA-N 1 2 309.329 3.457 20 5 DGBDLO Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000268272856 278715727 /nfs/dbraw/zinc/71/57/27/278715727.db2.gz OZPZZUPAXJHVLO-BLLLJJGKSA-N 1 2 300.362 3.187 20 5 DGBDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332630935 280136282 /nfs/dbraw/zinc/13/62/82/280136282.db2.gz OTUZDTMXNBYFAL-JTQLQIEISA-N 1 2 304.371 3.481 20 5 DGBDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332630935 280136286 /nfs/dbraw/zinc/13/62/86/280136286.db2.gz OTUZDTMXNBYFAL-JTQLQIEISA-N 1 2 304.371 3.481 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000492440786 280372202 /nfs/dbraw/zinc/37/22/02/280372202.db2.gz MUMOCJSQTVJZKK-CYBMUJFWSA-N 1 2 306.753 3.308 20 5 DGBDLO Cc1ncsc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171205 431806945 /nfs/dbraw/zinc/80/69/45/431806945.db2.gz HXQGYKKAWCMDMP-UHFFFAOYSA-N 1 2 318.358 3.133 20 5 DGBDLO Cc1ncsc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171205 431806951 /nfs/dbraw/zinc/80/69/51/431806951.db2.gz HXQGYKKAWCMDMP-UHFFFAOYSA-N 1 2 318.358 3.133 20 5 DGBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000090578483 431892924 /nfs/dbraw/zinc/89/29/24/431892924.db2.gz WOTNOUDIRCTSGF-OLZOCXBDSA-N 1 2 322.405 3.236 20 5 DGBDLO COc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000152054520 432299803 /nfs/dbraw/zinc/29/98/03/432299803.db2.gz AALRUBQGJYALKQ-ZDUSSCGKSA-N 1 2 316.361 3.054 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nccs2)cc1[N+](=O)[O-] ZINC000153093948 432384137 /nfs/dbraw/zinc/38/41/37/432384137.db2.gz QRNOKXRTEYWXDK-JTQLQIEISA-N 1 2 307.375 3.301 20 5 DGBDLO CCc1nnc([C@H](C)[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271425141 432392261 /nfs/dbraw/zinc/39/22/61/432392261.db2.gz CKKMSRZCAJOKOW-GWCFXTLKSA-N 1 2 303.366 3.077 20 5 DGBDLO CCc1cnc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000175525726 432445508 /nfs/dbraw/zinc/44/55/08/432445508.db2.gz QEZSPLIBTAOCTN-UHFFFAOYSA-N 1 2 321.402 3.254 20 5 DGBDLO CCc1cnc(C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000175525726 432445513 /nfs/dbraw/zinc/44/55/13/432445513.db2.gz QEZSPLIBTAOCTN-UHFFFAOYSA-N 1 2 321.402 3.254 20 5 DGBDLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271518791 432412728 /nfs/dbraw/zinc/41/27/28/432412728.db2.gz OAKXUBAYGYDJIU-MNOVXSKESA-N 1 2 303.366 3.248 20 5 DGBDLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC000186428143 432594354 /nfs/dbraw/zinc/59/43/54/432594354.db2.gz PAGKVCPZNILXIL-UHFFFAOYSA-N 1 2 319.361 3.188 20 5 DGBDLO CC(C)c1nnc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000296364084 432900802 /nfs/dbraw/zinc/90/08/02/432900802.db2.gz IXIYZCVVPFRVGR-CQSZACIVSA-N 1 2 315.377 3.004 20 5 DGBDLO CCC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000296450588 432909862 /nfs/dbraw/zinc/90/98/62/432909862.db2.gz MSJVOTPSTWLEJG-CQSZACIVSA-N 1 2 315.377 3.221 20 5 DGBDLO C[C@@H](c1ccccc1F)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332509547 433009727 /nfs/dbraw/zinc/00/97/27/433009727.db2.gz HKTUMXWBVJKISD-NSHDSACASA-N 1 2 301.321 3.248 20 5 DGBDLO C[C@@H](c1ccccc1F)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332509547 433009731 /nfs/dbraw/zinc/00/97/31/433009731.db2.gz HKTUMXWBVJKISD-NSHDSACASA-N 1 2 301.321 3.248 20 5 DGBDLO CN(Cc1[nH+]ccn1C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000341345408 433034508 /nfs/dbraw/zinc/03/45/08/433034508.db2.gz JSKXWDDWUAGSGU-UHFFFAOYSA-N 1 2 315.160 3.272 20 5 DGBDLO CC1=CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280715185 433149473 /nfs/dbraw/zinc/14/94/73/433149473.db2.gz DZMUJOABPPXXMG-LLVKDONJSA-N 1 2 323.780 3.227 20 5 DGBDLO CC1=CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280715185 433149480 /nfs/dbraw/zinc/14/94/80/433149480.db2.gz DZMUJOABPPXXMG-LLVKDONJSA-N 1 2 323.780 3.227 20 5 DGBDLO O=[N+]([O-])c1ccc(CCNc2[nH+]ccc3ccc(F)cc32)cc1 ZINC000354568316 433157327 /nfs/dbraw/zinc/15/73/27/433157327.db2.gz YUTQOCIINQTZFP-UHFFFAOYSA-N 1 2 311.316 3.937 20 5 DGBDLO CC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000413133320 433259312 /nfs/dbraw/zinc/25/93/12/433259312.db2.gz CBGQHARECDRDIF-RISCZKNCSA-N 1 2 301.346 3.147 20 5 DGBDLO CC(C)COCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413038013 433260289 /nfs/dbraw/zinc/26/02/89/433260289.db2.gz RAUNPAQJOJOVGX-UHFFFAOYSA-N 1 2 303.362 3.618 20 5 DGBDLO COc1cc(C(=O)Nc2c(C)cc[nH+]c2C)cc([N+](=O)[O-])c1C ZINC000425580481 433308076 /nfs/dbraw/zinc/30/80/76/433308076.db2.gz FMHAKFMQKPWIQL-UHFFFAOYSA-N 1 2 315.329 3.176 20 5 DGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000281903293 433421199 /nfs/dbraw/zinc/42/11/99/433421199.db2.gz FPJOGLPGZWIWBE-ZDUSSCGKSA-N 1 2 315.377 3.246 20 5 DGBDLO Cc1nn(C)c(Cl)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292187626 433498146 /nfs/dbraw/zinc/49/81/46/433498146.db2.gz RBZGSICANRHNDG-UHFFFAOYSA-N 1 2 322.796 3.315 20 5 DGBDLO CSCCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301543984 433604228 /nfs/dbraw/zinc/60/42/28/433604228.db2.gz DBBLJLYQNWNRBU-UHFFFAOYSA-N 1 2 318.402 3.159 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C)cc1[N+](=O)[O-])CCC2 ZINC000366685899 292977165 /nfs/dbraw/zinc/97/71/65/292977165.db2.gz HYHSODDWHYPCCD-ZDUSSCGKSA-N 1 2 300.362 3.398 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000301634912 433649893 /nfs/dbraw/zinc/64/98/93/433649893.db2.gz KVGBGUKYAMIHIU-CYBMUJFWSA-N 1 2 319.748 3.301 20 5 DGBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000373715073 293309376 /nfs/dbraw/zinc/30/93/76/293309376.db2.gz ZPQWRLROUHUENQ-ZDUSSCGKSA-N 1 2 309.329 3.208 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000432342746 433822024 /nfs/dbraw/zinc/82/20/24/433822024.db2.gz NBZVAXMKDACYQV-NSHDSACASA-N 1 2 318.764 3.334 20 5 DGBDLO Cc1nc(NCc2cccc([N+](=O)[O-])c2C)c2c([nH+]1)CCCC2 ZINC000302735252 433847912 /nfs/dbraw/zinc/84/79/12/433847912.db2.gz WEYZTIRJWOMQPL-UHFFFAOYSA-N 1 2 312.373 3.493 20 5 DGBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000362925878 433911628 /nfs/dbraw/zinc/91/16/28/433911628.db2.gz WBOFONOCTQJTKZ-UWVGGRQHSA-N 1 2 321.356 3.216 20 5 DGBDLO C[C@H]1CCSCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285377717 433928120 /nfs/dbraw/zinc/92/81/20/433928120.db2.gz RPUXINWJPATUPK-VIFPVBQESA-N 1 2 302.346 3.200 20 5 DGBDLO C[C@H]1CCSCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285377717 433928129 /nfs/dbraw/zinc/92/81/29/433928129.db2.gz RPUXINWJPATUPK-VIFPVBQESA-N 1 2 302.346 3.200 20 5 DGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccn2cc[nH+]c2c1 ZINC000357431921 434018354 /nfs/dbraw/zinc/01/83/54/434018354.db2.gz CRTMSMPJMBXXQI-UHFFFAOYSA-N 1 2 312.329 3.001 20 5 DGBDLO CC[C@@H](C)[C@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413143537 293882176 /nfs/dbraw/zinc/88/21/76/293882176.db2.gz SEHGGOWRMQOJEY-BDJLRTHQSA-N 1 2 303.362 3.352 20 5 DGBDLO C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000450263514 434061155 /nfs/dbraw/zinc/06/11/55/434061155.db2.gz XQBUSMHJCQZJDG-LBPRGKRZSA-N 1 2 311.345 3.088 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285833928 434077817 /nfs/dbraw/zinc/07/78/17/434077817.db2.gz WBYLXFVHCIPUCI-VIFPVBQESA-N 1 2 323.299 3.127 20 5 DGBDLO Cc1nc2ccccn2c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000507158334 294285362 /nfs/dbraw/zinc/28/53/62/294285362.db2.gz CPIWKCFQBSPXCI-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cc1nc2ccccn2c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000507158334 294285364 /nfs/dbraw/zinc/28/53/64/294285364.db2.gz CPIWKCFQBSPXCI-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000353462977 434152178 /nfs/dbraw/zinc/15/21/78/434152178.db2.gz LDYYXQLQFHFJIC-QGZVFWFLSA-N 1 2 322.368 3.208 20 5 DGBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000295070110 434176631 /nfs/dbraw/zinc/17/66/31/434176631.db2.gz WHEFRHQUNAZOHC-UHFFFAOYSA-N 1 2 312.276 3.025 20 5 DGBDLO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000340679441 434291502 /nfs/dbraw/zinc/29/15/02/434291502.db2.gz MFNVKBZSAWROBV-JTQLQIEISA-N 1 2 311.769 3.061 20 5 DGBDLO CC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000340679441 434291511 /nfs/dbraw/zinc/29/15/11/434291511.db2.gz MFNVKBZSAWROBV-JTQLQIEISA-N 1 2 311.769 3.061 20 5 DGBDLO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c2nccn21 ZINC000295354049 434323323 /nfs/dbraw/zinc/32/33/23/434323323.db2.gz ZBKRZSKOGRPECY-TVQRCGJNSA-N 1 2 306.753 3.240 20 5 DGBDLO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c2nccn21 ZINC000295354045 434326518 /nfs/dbraw/zinc/32/65/18/434326518.db2.gz ZBKRZSKOGRPECY-RNCFNFMXSA-N 1 2 306.753 3.240 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCCCc2[nH+]cccc2C)c1 ZINC000450727901 434372555 /nfs/dbraw/zinc/37/25/55/434372555.db2.gz ZQJGYUISJAJJKY-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO O=C(NCc1c[nH+]c[nH]1)c1cc2ccccc2c2cccnc12 ZINC000359141981 434413421 /nfs/dbraw/zinc/41/34/21/434413421.db2.gz YFNUKOCLPRUQFH-UHFFFAOYSA-N 1 2 302.337 3.041 20 5 DGBDLO O=C(NCc1c[nH]c[nH+]1)c1cc2ccccc2c2cccnc12 ZINC000359141981 434413432 /nfs/dbraw/zinc/41/34/32/434413432.db2.gz YFNUKOCLPRUQFH-UHFFFAOYSA-N 1 2 302.337 3.041 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000527054666 295074319 /nfs/dbraw/zinc/07/43/19/295074319.db2.gz CDURQKQXDVLRBH-JQVXPOPVSA-N 1 2 314.345 3.218 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000527054666 295074321 /nfs/dbraw/zinc/07/43/21/295074321.db2.gz CDURQKQXDVLRBH-JQVXPOPVSA-N 1 2 314.345 3.218 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000354017606 434579398 /nfs/dbraw/zinc/57/93/98/434579398.db2.gz LOTMVIIDCPONJY-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000354017606 434579402 /nfs/dbraw/zinc/57/94/02/434579402.db2.gz LOTMVIIDCPONJY-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1[nH]cc[nH+]1 ZINC000439650270 434634703 /nfs/dbraw/zinc/63/47/03/434634703.db2.gz TUSCLHZDKSIGFQ-ZDUSSCGKSA-N 1 2 323.356 3.943 20 5 DGBDLO O=[N+]([O-])c1ccc(CCOc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000440066586 434674188 /nfs/dbraw/zinc/67/41/88/434674188.db2.gz DENGFXKRCPKZNV-UHFFFAOYSA-N 1 2 309.325 3.402 20 5 DGBDLO Cc1cc[nH+]c(NCCOc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000553387009 434889568 /nfs/dbraw/zinc/88/95/68/434889568.db2.gz NSJBBQXIWURTAX-UHFFFAOYSA-N 1 2 307.737 3.443 20 5 DGBDLO COCc1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000492228867 434939714 /nfs/dbraw/zinc/93/97/14/434939714.db2.gz ZTYGIKXTSXTNRU-UHFFFAOYSA-N 1 2 321.402 3.223 20 5 DGBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)S1 ZINC000580167091 435209079 /nfs/dbraw/zinc/20/90/79/435209079.db2.gz APUAXUGYEQYQNG-GHMZBOCLSA-N 1 2 303.387 3.473 20 5 DGBDLO Cc1[nH+]c2cc(CNc3ccc([N+](=O)[O-])cn3)ccc2n1C1CC1 ZINC000566481545 435287194 /nfs/dbraw/zinc/28/71/94/435287194.db2.gz INYWCOCZISSRIG-UHFFFAOYSA-N 1 2 323.356 3.595 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000570680393 435640761 /nfs/dbraw/zinc/64/07/61/435640761.db2.gz VWIFIUCRUUXQGD-OAHLLOKOSA-N 1 2 310.781 3.249 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000570680393 435640764 /nfs/dbraw/zinc/64/07/64/435640764.db2.gz VWIFIUCRUUXQGD-OAHLLOKOSA-N 1 2 310.781 3.249 20 5 DGBDLO CCOc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000519640093 435695837 /nfs/dbraw/zinc/69/58/37/435695837.db2.gz GTOKDOLFKLYARN-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000519640093 435695839 /nfs/dbraw/zinc/69/58/39/435695839.db2.gz GTOKDOLFKLYARN-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO Cc1cc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000292765576 301333914 /nfs/dbraw/zinc/33/39/14/301333914.db2.gz WIGQGANYJVPLNK-GFCCVEGCSA-N 1 2 304.325 3.497 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC000537177122 313799892 /nfs/dbraw/zinc/79/98/92/313799892.db2.gz PIZASCHWYXOCQC-JTQLQIEISA-N 1 2 302.334 3.014 20 5 DGBDLO Cc1nc(NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000301667643 534492705 /nfs/dbraw/zinc/49/27/05/534492705.db2.gz XKVRVMCMZQGDBO-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DGBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000339203809 521293617 /nfs/dbraw/zinc/29/36/17/521293617.db2.gz LKXXCWUOGWGWJK-ZDUSSCGKSA-N 1 2 308.378 3.080 20 5 DGBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000339203809 521293622 /nfs/dbraw/zinc/29/36/22/521293622.db2.gz LKXXCWUOGWGWJK-ZDUSSCGKSA-N 1 2 308.378 3.080 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH+]2CC(COc3ccccc3)C2)cs1 ZINC000297415854 534879913 /nfs/dbraw/zinc/87/99/13/534879913.db2.gz MZHDQQSLZYRZES-UHFFFAOYSA-N 1 2 304.371 3.167 20 5 DGBDLO CCC[C@H](CCO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413161670 528127243 /nfs/dbraw/zinc/12/72/43/528127243.db2.gz BWPYTCZXGCTWRC-GFCCVEGCSA-N 1 2 303.362 3.354 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H]1C ZINC000172594009 528210052 /nfs/dbraw/zinc/21/00/52/528210052.db2.gz BOQXKVZSEHZGHJ-GFCCVEGCSA-N 1 2 310.419 3.319 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H]1C ZINC000172594009 528210057 /nfs/dbraw/zinc/21/00/57/528210057.db2.gz BOQXKVZSEHZGHJ-GFCCVEGCSA-N 1 2 310.419 3.319 20 5 DGBDLO CCOc1cc(NCc2c[nH+]ccc2OC)ccc1[N+](=O)[O-] ZINC000431501256 528329367 /nfs/dbraw/zinc/32/93/67/528329367.db2.gz DKHVQFNUZWWVLF-UHFFFAOYSA-N 1 2 303.318 3.009 20 5 DGBDLO CCNc1ccc(C(=O)Nc2c(C)cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000323517535 528430667 /nfs/dbraw/zinc/43/06/67/528430667.db2.gz HOLDXAZYMUCNQF-UHFFFAOYSA-N 1 2 314.345 3.291 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442884376 528611858 /nfs/dbraw/zinc/61/18/58/528611858.db2.gz SDXUKYSBMNRHTC-UHFFFAOYSA-N 1 2 322.405 3.383 20 5 DGBDLO CC(C)[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413227220 528753768 /nfs/dbraw/zinc/75/37/68/528753768.db2.gz FBCIFOMDNWXIEF-HNNXBMFYSA-N 1 2 301.346 3.004 20 5 DGBDLO CCOC(=O)C[C@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413212532 528889997 /nfs/dbraw/zinc/88/99/97/528889997.db2.gz RLOYVJHFAARBCX-NSHDSACASA-N 1 2 317.345 3.144 20 5 DGBDLO Cn1c[nH+]c2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 ZINC000743459607 575052829 /nfs/dbraw/zinc/05/28/29/575052829.db2.gz GTTAUHRVFITKBO-UHFFFAOYSA-N 1 2 313.273 3.133 20 5 DGBDLO Cc1ccccc1C(N)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000728910025 575193556 /nfs/dbraw/zinc/19/35/56/575193556.db2.gz KPWAKPVZBOYHTH-UHFFFAOYSA-N 1 2 303.293 3.089 20 5 DGBDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000729987297 575269072 /nfs/dbraw/zinc/26/90/72/575269072.db2.gz IYLFNOBDASWHQX-UHFFFAOYSA-N 1 2 319.748 3.489 20 5 DGBDLO C[C@H](OC(=O)c1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000728464123 576183613 /nfs/dbraw/zinc/18/36/13/576183613.db2.gz OVBNBNLMBBRTGB-NSHDSACASA-N 1 2 311.297 3.161 20 5 DGBDLO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000891623152 617854722 /nfs/dbraw/zinc/85/47/22/617854722.db2.gz MHEXWVYSWJIYDC-UHFFFAOYSA-N 1 2 302.330 3.361 20 5 DGBDLO COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000891623152 617854727 /nfs/dbraw/zinc/85/47/27/617854727.db2.gz MHEXWVYSWJIYDC-UHFFFAOYSA-N 1 2 302.330 3.361 20 5 DGBDLO CCn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000891622726 617855213 /nfs/dbraw/zinc/85/52/13/617855213.db2.gz IXHWTADDWIPRME-UHFFFAOYSA-N 1 2 314.389 3.284 20 5 DGBDLO CCn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000891622726 617855216 /nfs/dbraw/zinc/85/52/16/617855216.db2.gz IXHWTADDWIPRME-UHFFFAOYSA-N 1 2 314.389 3.284 20 5 DGBDLO CCn1c[nH+]c2c1CCN(c1cc(Cl)c(F)cc1[N+](=O)[O-])C2 ZINC000896653192 618941564 /nfs/dbraw/zinc/94/15/64/618941564.db2.gz BDBJVCBGFRQXQE-UHFFFAOYSA-N 1 2 324.743 3.166 20 5 DGBDLO Cc1ccc2[nH+]c(C)cc(OCc3cn(C)nc3[N+](=O)[O-])c2c1 ZINC000902693581 619664270 /nfs/dbraw/zinc/66/42/70/619664270.db2.gz YKJWGFFLBLWSRM-UHFFFAOYSA-N 1 2 312.329 3.072 20 5 DGBDLO CCCn1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000902766829 619672958 /nfs/dbraw/zinc/67/29/58/619672958.db2.gz SHFYEMCGUGHSPX-NWDGAFQWSA-N 1 2 303.366 3.008 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000903322051 619755722 /nfs/dbraw/zinc/75/57/22/619755722.db2.gz GGBJZUDQIYHUKB-GOEBONIOSA-N 1 2 310.357 3.113 20 5 DGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000839194287 621348360 /nfs/dbraw/zinc/34/83/60/621348360.db2.gz JUYWAYFAGSTQMY-MRXNPFEDSA-N 1 2 318.760 3.297 20 5 DGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000839194287 621348364 /nfs/dbraw/zinc/34/83/64/621348364.db2.gz JUYWAYFAGSTQMY-MRXNPFEDSA-N 1 2 318.760 3.297 20 5 DGBDLO CCOc1cc(C[N@H+](C)Cc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000754975230 621543991 /nfs/dbraw/zinc/54/39/91/621543991.db2.gz CORBAKSIDYARAZ-UHFFFAOYSA-N 1 2 319.361 3.230 20 5 DGBDLO CCOc1cc(C[N@@H+](C)Cc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000754975230 621543993 /nfs/dbraw/zinc/54/39/93/621543993.db2.gz CORBAKSIDYARAZ-UHFFFAOYSA-N 1 2 319.361 3.230 20 5 DGBDLO CC[C@H]1CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000755914415 621602857 /nfs/dbraw/zinc/60/28/57/621602857.db2.gz SOGJCLPJNPIMLX-AWEZNQCLSA-N 1 2 319.405 3.021 20 5 DGBDLO CC[C@H]1CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000755914415 621602859 /nfs/dbraw/zinc/60/28/59/621602859.db2.gz SOGJCLPJNPIMLX-AWEZNQCLSA-N 1 2 319.405 3.021 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865374795 621904829 /nfs/dbraw/zinc/90/48/29/621904829.db2.gz LAVWOGBGNOZREZ-UHFFFAOYSA-N 1 2 316.361 3.036 20 5 DGBDLO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063884 622784773 /nfs/dbraw/zinc/78/47/73/622784773.db2.gz UWYGKIBZLDTYPL-BXKDBHETSA-N 1 2 310.350 3.180 20 5 DGBDLO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063887 622784864 /nfs/dbraw/zinc/78/48/64/622784864.db2.gz UWYGKIBZLDTYPL-SKDRFNHKSA-N 1 2 310.350 3.180 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000872080234 622794075 /nfs/dbraw/zinc/79/40/75/622794075.db2.gz UNNBGTLLGVYWNK-WDEREUQCSA-N 1 2 320.418 3.462 20 5 DGBDLO Cc1c(C[NH2+]Cc2nnc(C(C)C)s2)cccc1[N+](=O)[O-] ZINC000873074146 623030957 /nfs/dbraw/zinc/03/09/57/623030957.db2.gz JDAXLZXMYIMONY-UHFFFAOYSA-N 1 2 306.391 3.168 20 5 DGBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc2[nH+]ccn21 ZINC000776890039 623474333 /nfs/dbraw/zinc/47/43/33/623474333.db2.gz YHKKVIDEOCKSTP-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO CC(C)([NH2+]Cc1ccc(Cl)nn1)c1ccccc1[N+](=O)[O-] ZINC000877546982 623935781 /nfs/dbraw/zinc/93/57/81/623935781.db2.gz ZPINKDOKCGBJAR-UHFFFAOYSA-N 1 2 306.753 3.063 20 5 DGBDLO COCC1(C2CC2)C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000877685603 623992060 /nfs/dbraw/zinc/99/20/60/623992060.db2.gz CERCJEJYFHRCMO-UHFFFAOYSA-N 1 2 310.781 3.107 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000877820114 624052117 /nfs/dbraw/zinc/05/21/17/624052117.db2.gz GZTNTTUQHZRLSO-CYBMUJFWSA-N 1 2 318.295 3.056 20 5 DGBDLO Cc1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000877820114 624052125 /nfs/dbraw/zinc/05/21/25/624052125.db2.gz GZTNTTUQHZRLSO-CYBMUJFWSA-N 1 2 318.295 3.056 20 5 DGBDLO CN(C)c1cc(COc2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC000782111069 624205821 /nfs/dbraw/zinc/20/58/21/624205821.db2.gz OHVCYPKXRAAQBQ-UHFFFAOYSA-N 1 2 307.737 3.288 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)ccc1Cl ZINC000878875605 624378587 /nfs/dbraw/zinc/37/85/87/624378587.db2.gz CQIOECBCSOENKP-CYBMUJFWSA-N 1 2 306.753 3.308 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)ccc1Cl ZINC000878875605 624378592 /nfs/dbraw/zinc/37/85/92/624378592.db2.gz CQIOECBCSOENKP-CYBMUJFWSA-N 1 2 306.753 3.308 20 5 DGBDLO CC(C)c1ccc(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000784862713 624589319 /nfs/dbraw/zinc/58/93/19/624589319.db2.gz HAZZKMHQQMIOEN-UHFFFAOYSA-N 1 2 317.345 3.162 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1(c2ncccn2)CCC1 ZINC000883313307 626642828 /nfs/dbraw/zinc/64/28/28/626642828.db2.gz ALNICPOXTYICSM-ZDUSSCGKSA-N 1 2 312.373 3.423 20 5 DGBDLO Cc1c([C@@H](C)[NH2+]C2(c3ncccn3)CCC2)cccc1[N+](=O)[O-] ZINC000883314098 626642928 /nfs/dbraw/zinc/64/29/28/626642928.db2.gz VPANHUBCISILAT-CYBMUJFWSA-N 1 2 312.373 3.423 20 5 DGBDLO NC(Cc1cccc(F)c1)=[NH+]OCCc1ccc([N+](=O)[O-])cc1 ZINC000808266728 626810498 /nfs/dbraw/zinc/81/04/98/626810498.db2.gz MDVOXALLTHJWDN-UHFFFAOYSA-N 1 2 317.320 3.018 20 5 DGBDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1O ZINC000809981981 626965082 /nfs/dbraw/zinc/96/50/82/626965082.db2.gz CLDOICFLKDEZLM-UFBFGSQYSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1O ZINC000809981981 626965085 /nfs/dbraw/zinc/96/50/85/626965085.db2.gz CLDOICFLKDEZLM-UFBFGSQYSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885935977 627063905 /nfs/dbraw/zinc/06/39/05/627063905.db2.gz XNKPJZIGTJSAKO-SNVBAGLBSA-N 1 2 307.300 3.461 20 5 DGBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885935977 627063908 /nfs/dbraw/zinc/06/39/08/627063908.db2.gz XNKPJZIGTJSAKO-SNVBAGLBSA-N 1 2 307.300 3.461 20 5 DGBDLO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000886033262 627089371 /nfs/dbraw/zinc/08/93/71/627089371.db2.gz RZWLYTWNWIPTEO-LBPRGKRZSA-N 1 2 301.346 3.279 20 5 DGBDLO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000886033262 627089372 /nfs/dbraw/zinc/08/93/72/627089372.db2.gz RZWLYTWNWIPTEO-LBPRGKRZSA-N 1 2 301.346 3.279 20 5 DGBDLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819409758 628149488 /nfs/dbraw/zinc/14/94/88/628149488.db2.gz VDRXJTWYBHGNMT-QGZVFWFLSA-N 1 2 315.373 3.115 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000825172531 628735108 /nfs/dbraw/zinc/73/51/08/628735108.db2.gz VSVWBEBBMCQLOS-UHFFFAOYSA-N 1 2 307.737 3.403 20 5 DGBDLO COCC[N@H+](CCF)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000827054089 628917022 /nfs/dbraw/zinc/91/70/22/628917022.db2.gz LSYFPCLMHOOCOC-UHFFFAOYSA-N 1 2 322.336 3.273 20 5 DGBDLO COCC[N@@H+](CCF)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000827054089 628917023 /nfs/dbraw/zinc/91/70/23/628917023.db2.gz LSYFPCLMHOOCOC-UHFFFAOYSA-N 1 2 322.336 3.273 20 5 DGBDLO C[C@H](CC(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000844336077 630719999 /nfs/dbraw/zinc/71/99/99/630719999.db2.gz KARSMVQBKBNFNX-NEPJUHHUSA-N 1 2 303.318 3.047 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284789 631160463 /nfs/dbraw/zinc/16/04/63/631160463.db2.gz NTVRKRZQKBCTQR-CHWSQXEVSA-N 1 2 317.345 3.355 20 5 DGBDLO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852220731 632573475 /nfs/dbraw/zinc/57/34/75/632573475.db2.gz VSRZBDMZCGQKQR-GWCFXTLKSA-N 1 2 323.780 3.061 20 5 DGBDLO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852220731 632573478 /nfs/dbraw/zinc/57/34/78/632573478.db2.gz VSRZBDMZCGQKQR-GWCFXTLKSA-N 1 2 323.780 3.061 20 5 DGBDLO O=C(OCc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049843837 655608460 /nfs/dbraw/zinc/60/84/60/655608460.db2.gz MNVMBMFWVUJERB-UHFFFAOYSA-N 1 2 323.308 3.138 20 5 DGBDLO COc1ccc2c(c1)C[N@@H+](CC[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC000929836173 661343420 /nfs/dbraw/zinc/34/34/20/661343420.db2.gz VTASDDPPTAXTJJ-SFHVURJKSA-N 1 2 312.369 3.071 20 5 DGBDLO COc1ccc2c(c1)C[N@H+](CC[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC000929836173 661343424 /nfs/dbraw/zinc/34/34/24/661343424.db2.gz VTASDDPPTAXTJJ-SFHVURJKSA-N 1 2 312.369 3.071 20 5 DGBDLO Cc1cn2cc(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc2[nH+]1 ZINC001351974670 1180271406 /nfs/dbraw/zinc/27/14/06/1180271406.db2.gz VKOPMAHEGIUDSL-UHFFFAOYSA-N 1 2 324.340 3.420 20 5 DGBDLO CCc1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc(CC)[nH+]1 ZINC001458094294 1182496584 /nfs/dbraw/zinc/49/65/84/1182496584.db2.gz GOXMOZQGJUNOQH-UHFFFAOYSA-N 1 2 300.362 3.146 20 5 DGBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC001474569859 1183942355 /nfs/dbraw/zinc/94/23/55/1183942355.db2.gz MWNWKAMCOKMWOJ-UHFFFAOYSA-N 1 2 323.352 3.339 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(O)ccc2Cl)c(F)c1 ZINC001474686266 1183961736 /nfs/dbraw/zinc/96/17/36/1183961736.db2.gz QJLLHFQUWKSOLB-UHFFFAOYSA-N 1 2 310.712 3.383 20 5 DGBDLO CCNc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC001559304629 1189195242 /nfs/dbraw/zinc/19/52/42/1189195242.db2.gz BUMTVRWCGARNHZ-UHFFFAOYSA-N 1 2 303.278 3.073 20 5 DGBDLO COC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001559686221 1189230481 /nfs/dbraw/zinc/23/04/81/1189230481.db2.gz WCVFWBXFBGLQAY-OAHLLOKOSA-N 1 2 322.311 3.350 20 5 DGBDLO CC(C)(C)[C@@H]1CSCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001560101344 1189278766 /nfs/dbraw/zinc/27/87/66/1189278766.db2.gz IZCFWWALAUROLJ-AWEZNQCLSA-N 1 2 310.419 3.264 20 5 DGBDLO CC(C)(C)[C@@H]1CSCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001560101344 1189278770 /nfs/dbraw/zinc/27/87/70/1189278770.db2.gz IZCFWWALAUROLJ-AWEZNQCLSA-N 1 2 310.419 3.264 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001560138259 1189282950 /nfs/dbraw/zinc/28/29/50/1189282950.db2.gz PHHCNBDDBLAXGZ-MAUKXSAKSA-N 1 2 310.353 3.074 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001560138259 1189282953 /nfs/dbraw/zinc/28/29/53/1189282953.db2.gz PHHCNBDDBLAXGZ-MAUKXSAKSA-N 1 2 310.353 3.074 20 5 DGBDLO Cc1cccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001560221353 1189292494 /nfs/dbraw/zinc/29/24/94/1189292494.db2.gz SVKVRNDPCREGIT-NSHDSACASA-N 1 2 316.317 3.057 20 5 DGBDLO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001560221352 1189292877 /nfs/dbraw/zinc/29/28/77/1189292877.db2.gz SVKVRNDPCREGIT-LLVKDONJSA-N 1 2 316.317 3.057 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001657864680 1196189082 /nfs/dbraw/zinc/18/90/82/1196189082.db2.gz IFPNRBFCIVSFMT-WDEREUQCSA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001657864680 1196189084 /nfs/dbraw/zinc/18/90/84/1196189084.db2.gz IFPNRBFCIVSFMT-WDEREUQCSA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCC[N@H+](CCF)C1 ZINC001642866601 1194949463 /nfs/dbraw/zinc/94/94/63/1194949463.db2.gz XXBONKOHGRQDPK-NSHDSACASA-N 1 2 301.749 3.094 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC001642866601 1194949468 /nfs/dbraw/zinc/94/94/68/1194949468.db2.gz XXBONKOHGRQDPK-NSHDSACASA-N 1 2 301.749 3.094 20 5 DGBDLO CCNc1cc(CNc2ncc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC001643019107 1194961377 /nfs/dbraw/zinc/96/13/77/1194961377.db2.gz BBLAYGMXDCLWAU-UHFFFAOYSA-N 1 2 307.741 3.082 20 5 DGBDLO Cc1ccc(NCCCN(C)c2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC001643104874 1194995562 /nfs/dbraw/zinc/99/55/62/1194995562.db2.gz AOKBXNOEDHNWHH-UHFFFAOYSA-N 1 2 300.362 3.237 20 5 DGBDLO Cc1cc(NCCCN(C)c2cccc[nH+]2)c([N+](=O)[O-])s1 ZINC001651364179 1195450090 /nfs/dbraw/zinc/45/00/90/1195450090.db2.gz RCZASIWDHMYJEF-UHFFFAOYSA-N 1 2 306.391 3.298 20 5 DGBDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC001653981494 1195764718 /nfs/dbraw/zinc/76/47/18/1195764718.db2.gz XFSOYWQGDHWLMS-PRHODGIISA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC001653981494 1195764721 /nfs/dbraw/zinc/76/47/21/1195764721.db2.gz XFSOYWQGDHWLMS-PRHODGIISA-N 1 2 319.188 3.104 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)c2cccc(F)c2)c1 ZINC001657899365 1196191644 /nfs/dbraw/zinc/19/16/44/1196191644.db2.gz GYMBYVXYSXTBEJ-HNNXBMFYSA-N 1 2 324.739 3.211 20 5 DGBDLO Cc1cc([C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])ccc1Br ZINC001658449674 1196257941 /nfs/dbraw/zinc/25/79/41/1196257941.db2.gz CBJLAEFUQFBAPX-ZDUSSCGKSA-N 1 2 313.195 3.171 20 5 DGBDLO Cc1cc([C@@H]2CCC[N@H+]2CC[N+](=O)[O-])ccc1Br ZINC001658449674 1196257948 /nfs/dbraw/zinc/25/79/48/1196257948.db2.gz CBJLAEFUQFBAPX-ZDUSSCGKSA-N 1 2 313.195 3.171 20 5 DGBDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001658703655 1196289892 /nfs/dbraw/zinc/28/98/92/1196289892.db2.gz YHTPUKHIQLNBCQ-CQSZACIVSA-N 1 2 320.389 3.116 20 5 DGBDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001658703655 1196289895 /nfs/dbraw/zinc/28/98/95/1196289895.db2.gz YHTPUKHIQLNBCQ-CQSZACIVSA-N 1 2 320.389 3.116 20 5 DGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001129481629 1082475153 /nfs/dbraw/zinc/47/51/53/1082475153.db2.gz PINNXBJODNMSLA-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO Cc1cc(C)c(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c[nH+]1 ZINC001129713521 1082497832 /nfs/dbraw/zinc/49/78/32/1082497832.db2.gz BBQKQTRFGXQFDG-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001167992849 1086057109 /nfs/dbraw/zinc/05/71/09/1086057109.db2.gz UWCPTVNGVZKIKQ-UHFFFAOYSA-N 1 2 310.235 3.044 20 5 DGBDLO COc1cc[nH+]c(C(C)(C)CNc2ncc(C)cc2[N+](=O)[O-])c1 ZINC001162128674 1089561715 /nfs/dbraw/zinc/56/17/15/1089561715.db2.gz SLOCRFRHPJOGAW-UHFFFAOYSA-N 1 2 316.361 3.092 20 5 DGBDLO O=[N+]([O-])c1cnc(NCCCNc2cccc[nH+]2)c2ccccc21 ZINC001162176613 1089591148 /nfs/dbraw/zinc/59/11/48/1089591148.db2.gz FBUNGQWUFURHMC-UHFFFAOYSA-N 1 2 323.356 3.452 20 5 DGBDLO Cc1cnc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC001156775988 1089690454 /nfs/dbraw/zinc/69/04/54/1089690454.db2.gz QVDQPAGVHQAZEW-UHFFFAOYSA-N 1 2 323.356 3.120 20 5 DGBDLO Cc1cc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)ncc1[N+](=O)[O-] ZINC001163990385 1090309740 /nfs/dbraw/zinc/30/97/40/1090309740.db2.gz WNYZMQFKGPJNDN-OAHLLOKOSA-N 1 2 323.356 3.348 20 5 DGBDLO CCOc1cc(Nc2cc([N+](=O)[O-])ccc2OC)cc(C)[nH+]1 ZINC001210444806 1093168351 /nfs/dbraw/zinc/16/83/51/1093168351.db2.gz SBEHBHJFRNPVMH-UHFFFAOYSA-N 1 2 303.318 3.449 20 5 DGBDLO FC1(F)C[NH2+]CC[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218005120 1094555257 /nfs/dbraw/zinc/55/52/57/1094555257.db2.gz FDRLWKBHXJZYDR-INIZCTEOSA-N 1 2 315.323 3.159 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001336533980 1094667696 /nfs/dbraw/zinc/66/76/96/1094667696.db2.gz JXRFVMCHQWEWRC-UHFFFAOYSA-N 1 2 323.356 3.250 20 5 DGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001124337409 1095577980 /nfs/dbraw/zinc/57/79/80/1095577980.db2.gz RASZKPXTTWCGPI-UHFFFAOYSA-N 1 2 322.324 3.057 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCC3(CCC3)O1)C2 ZINC001340603445 1095986232 /nfs/dbraw/zinc/98/62/32/1095986232.db2.gz RNVHWIDPRJHFLR-MRXNPFEDSA-N 1 2 302.374 3.402 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCCC3(CCC3)O1)C2 ZINC001340603445 1095986236 /nfs/dbraw/zinc/98/62/36/1095986236.db2.gz RNVHWIDPRJHFLR-MRXNPFEDSA-N 1 2 302.374 3.402 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](F)C2)c1F ZINC001173188498 1097357700 /nfs/dbraw/zinc/35/77/00/1097357700.db2.gz FURGXQDNSWUFFY-QWRGUYRKSA-N 1 2 314.332 3.107 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@H](F)C2)c1F ZINC001173188498 1097357704 /nfs/dbraw/zinc/35/77/04/1097357704.db2.gz FURGXQDNSWUFFY-QWRGUYRKSA-N 1 2 314.332 3.107 20 5 DGBDLO OCCn1cc(Nc2ccc3[nH+]c4ccccc4cc3c2)cn1 ZINC001176476089 1098361266 /nfs/dbraw/zinc/36/12/66/1098361266.db2.gz FFWLQLHEDGDZII-UHFFFAOYSA-N 1 2 304.353 3.320 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1noc(C)n1 ZINC001329850542 1104399625 /nfs/dbraw/zinc/39/96/25/1104399625.db2.gz PXZZRDIGCVOZNE-BRNRAETOSA-N 1 2 302.334 3.040 20 5 DGBDLO CCOC(=O)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](C)CC ZINC001254542463 1106099604 /nfs/dbraw/zinc/09/96/04/1106099604.db2.gz NPJQWEBHTZXRMG-WOSRLPQWSA-N 1 2 322.405 3.093 20 5 DGBDLO O=[N+]([O-])c1cnc(NCCCCn2cc[nH+]c2)c2ccccc21 ZINC001262064295 1107603127 /nfs/dbraw/zinc/60/31/27/1107603127.db2.gz WTEAMPZPULBHMK-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccc(F)c(F)c1)C2 ZINC001322681345 1107734838 /nfs/dbraw/zinc/73/48/38/1107734838.db2.gz PGPVEBSRBUOXJA-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccc(F)c(F)c1)C2 ZINC001322681345 1107734853 /nfs/dbraw/zinc/73/48/53/1107734853.db2.gz PGPVEBSRBUOXJA-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(F)c1 ZINC000324005330 231220504 /nfs/dbraw/zinc/22/05/04/231220504.db2.gz OCPPHWPQWRDSDB-UHFFFAOYSA-N 1 2 315.348 3.056 20 5 DGBDLO Cc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000092728938 185336357 /nfs/dbraw/zinc/33/63/57/185336357.db2.gz PZLGKVHISPXWLU-AWEZNQCLSA-N 1 2 300.362 3.354 20 5 DGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)c1ccccc1 ZINC000272778405 210182875 /nfs/dbraw/zinc/18/28/75/210182875.db2.gz GWVNWCPOEWDQNH-INIZCTEOSA-N 1 2 320.776 3.414 20 5 DGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)c1ccccc1 ZINC000272778405 210182877 /nfs/dbraw/zinc/18/28/77/210182877.db2.gz GWVNWCPOEWDQNH-INIZCTEOSA-N 1 2 320.776 3.414 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066847916 432022708 /nfs/dbraw/zinc/02/27/08/432022708.db2.gz RZVVITPGOGOGHC-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066847916 432022710 /nfs/dbraw/zinc/02/27/10/432022710.db2.gz RZVVITPGOGOGHC-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000066847874 432022990 /nfs/dbraw/zinc/02/29/90/432022990.db2.gz FJMLGLXVMFWLHC-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000066847874 432022992 /nfs/dbraw/zinc/02/29/92/432022992.db2.gz FJMLGLXVMFWLHC-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000107294444 432030126 /nfs/dbraw/zinc/03/01/26/432030126.db2.gz VOLXQDWDPGZBSM-UHFFFAOYSA-N 1 2 314.345 3.129 20 5 DGBDLO COC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000177573600 198746588 /nfs/dbraw/zinc/74/65/88/198746588.db2.gz CNIDOYUHBKKGHO-LBPRGKRZSA-N 1 2 310.737 3.319 20 5 DGBDLO Cc1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000179814296 432072292 /nfs/dbraw/zinc/07/22/92/432072292.db2.gz MQKGKQDDHVYNJA-LLVKDONJSA-N 1 2 300.318 3.181 20 5 DGBDLO Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000292352551 223015424 /nfs/dbraw/zinc/01/54/24/223015424.db2.gz CDOJLHGBCKQDNZ-BZNIZROVSA-N 1 2 318.352 3.326 20 5 DGBDLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451547670 241168372 /nfs/dbraw/zinc/16/83/72/241168372.db2.gz LLLMIBDKYFEUSJ-SMDDNHRTSA-N 1 2 316.361 3.227 20 5 DGBDLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451547670 241168378 /nfs/dbraw/zinc/16/83/78/241168378.db2.gz LLLMIBDKYFEUSJ-SMDDNHRTSA-N 1 2 316.361 3.227 20 5 DGBDLO CC(C)OC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000453326218 241723978 /nfs/dbraw/zinc/72/39/78/241723978.db2.gz YAYHSDKYWPDPPV-BBRMVZONSA-N 1 2 322.405 3.092 20 5 DGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000455088138 242105126 /nfs/dbraw/zinc/10/51/26/242105126.db2.gz ZGFSJDNRKLMDGY-LLVKDONJSA-N 1 2 317.349 3.002 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cncc(F)c2)C2CC2)cc1 ZINC000275166090 212165680 /nfs/dbraw/zinc/16/56/80/212165680.db2.gz VOYRJDRLHVYIQB-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cncc(F)c2)C2CC2)cc1 ZINC000275166090 212165684 /nfs/dbraw/zinc/16/56/84/212165684.db2.gz VOYRJDRLHVYIQB-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO CCOC(=O)C[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470182967 244156780 /nfs/dbraw/zinc/15/67/80/244156780.db2.gz KZCUYRRLSWWPPV-UKTHLTGXSA-N 1 2 318.373 3.026 20 5 DGBDLO CCOC(=O)C[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470182967 244156786 /nfs/dbraw/zinc/15/67/86/244156786.db2.gz KZCUYRRLSWWPPV-UKTHLTGXSA-N 1 2 318.373 3.026 20 5 DGBDLO Cc1c([C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cnn1C ZINC000494795515 246193173 /nfs/dbraw/zinc/19/31/73/246193173.db2.gz QKVYKQRPNLRKJU-SECBINFHSA-N 1 2 308.769 3.141 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1scnc1C1CC1)CC2 ZINC000494929051 246211822 /nfs/dbraw/zinc/21/18/22/246211822.db2.gz ISOZRJLANRQALQ-UHFFFAOYSA-N 1 2 315.398 3.487 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1scnc1C1CC1)CC2 ZINC000494929051 246211824 /nfs/dbraw/zinc/21/18/24/246211824.db2.gz ISOZRJLANRQALQ-UHFFFAOYSA-N 1 2 315.398 3.487 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H](C)C1 ZINC000104695322 194028286 /nfs/dbraw/zinc/02/82/86/194028286.db2.gz KWEMYUAFXLBSEA-GFCCVEGCSA-N 1 2 310.419 3.319 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H](C)C1 ZINC000104695322 194028287 /nfs/dbraw/zinc/02/82/87/194028287.db2.gz KWEMYUAFXLBSEA-GFCCVEGCSA-N 1 2 310.419 3.319 20 5 DGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000065011315 184308422 /nfs/dbraw/zinc/30/84/22/184308422.db2.gz VGFOFHVWZCLLHN-UHFFFAOYSA-N 1 2 322.324 3.248 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000338636338 253323829 /nfs/dbraw/zinc/32/38/29/253323829.db2.gz NYTIPMHMRLWZDF-UHFFFAOYSA-N 1 2 312.329 3.134 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CCC(n2cc[nH+]c2)CC1 ZINC000279326368 285117057 /nfs/dbraw/zinc/11/70/57/285117057.db2.gz GVXLYTXEEKDXDG-UHFFFAOYSA-N 1 2 306.753 3.286 20 5 DGBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000431425531 533085375 /nfs/dbraw/zinc/08/53/75/533085375.db2.gz FZDQBNCZORRGRY-UHFFFAOYSA-N 1 2 310.313 3.159 20 5 DGBDLO COc1cc(C)[nH+]c(COc2ccc([N+](=O)[O-])cc2C(C)=O)c1 ZINC000271178937 208691768 /nfs/dbraw/zinc/69/17/68/208691768.db2.gz BXBWWAUIBBUUJE-UHFFFAOYSA-N 1 2 316.313 3.088 20 5 DGBDLO CC(=O)c1cc(NCc2cn3cccc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000342533759 254003090 /nfs/dbraw/zinc/00/30/90/254003090.db2.gz BTUWHNKKJORZGO-UHFFFAOYSA-N 1 2 324.340 3.366 20 5 DGBDLO Cc1[nH]c2ccc(CSc3ncccc3[N+](=O)[O-])cc2[nH+]1 ZINC000342687838 254033068 /nfs/dbraw/zinc/03/30/68/254033068.db2.gz OCGLGPRLQVYITJ-UHFFFAOYSA-N 1 2 300.343 3.467 20 5 DGBDLO Cc1[nH]c2cc(CSc3ncccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000342687838 254033070 /nfs/dbraw/zinc/03/30/70/254033070.db2.gz OCGLGPRLQVYITJ-UHFFFAOYSA-N 1 2 300.343 3.467 20 5 DGBDLO Cc1cnc(C(C)(C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000344619959 254289786 /nfs/dbraw/zinc/28/97/86/254289786.db2.gz YKERZDYPVOEKHR-UHFFFAOYSA-N 1 2 307.375 3.090 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(NCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000121678431 195328175 /nfs/dbraw/zinc/32/81/75/195328175.db2.gz HRSWEMVNZKMSGX-UHFFFAOYSA-N 1 2 304.256 3.133 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(O)c1 ZINC000181532566 533470278 /nfs/dbraw/zinc/47/02/78/533470278.db2.gz ZXXAJFXOKGOIJG-SNVBAGLBSA-N 1 2 313.313 3.292 20 5 DGBDLO CO[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000413186729 533538644 /nfs/dbraw/zinc/53/86/44/533538644.db2.gz PUFBRVZHPGRBRB-ZIAGYGMSSA-N 1 2 301.346 3.368 20 5 DGBDLO Cc1ccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268268483 292135993 /nfs/dbraw/zinc/13/59/93/292135993.db2.gz OFJILUNTBVDXAT-CZUORRHYSA-N 1 2 300.362 3.187 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000595051237 400090134 /nfs/dbraw/zinc/09/01/34/400090134.db2.gz LXPISVGOGZZYDX-MJVIPROJSA-N 1 2 316.361 3.157 20 5 DGBDLO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000595039340 400084782 /nfs/dbraw/zinc/08/47/82/400084782.db2.gz RXJMQZNNEFTYED-JTQLQIEISA-N 1 2 319.361 3.313 20 5 DGBDLO Cc1cc(N2CCC[C@@H]3C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000588066152 400184396 /nfs/dbraw/zinc/18/43/96/400184396.db2.gz IICQBWOFCKGKIG-HIFRSBDPSA-N 1 2 310.357 3.349 20 5 DGBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000091703529 400132264 /nfs/dbraw/zinc/13/22/64/400132264.db2.gz PWIRZPBTYFAMQS-LLVKDONJSA-N 1 2 312.329 3.324 20 5 DGBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000091703529 400132267 /nfs/dbraw/zinc/13/22/67/400132267.db2.gz PWIRZPBTYFAMQS-LLVKDONJSA-N 1 2 312.329 3.324 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000010895680 400137438 /nfs/dbraw/zinc/13/74/38/400137438.db2.gz XOANAKFQLUXBKI-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000010895680 400137444 /nfs/dbraw/zinc/13/74/44/400137444.db2.gz XOANAKFQLUXBKI-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2ccncc21 ZINC000609132785 400142913 /nfs/dbraw/zinc/14/29/13/400142913.db2.gz JQJSJEFOIMEHGU-CYBMUJFWSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1noc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595432990 400148651 /nfs/dbraw/zinc/14/86/51/400148651.db2.gz XPYKEKCWKYJFQG-APPZFPTMSA-N 1 2 307.272 3.054 20 5 DGBDLO Cc1noc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595432990 400148656 /nfs/dbraw/zinc/14/86/56/400148656.db2.gz XPYKEKCWKYJFQG-APPZFPTMSA-N 1 2 307.272 3.054 20 5 DGBDLO Cc1noc(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c1[N+](=O)[O-] ZINC000595443293 400152323 /nfs/dbraw/zinc/15/23/23/400152323.db2.gz SXDIIUJYJOQOGT-SECBINFHSA-N 1 2 321.381 3.002 20 5 DGBDLO C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000586794963 400158655 /nfs/dbraw/zinc/15/86/55/400158655.db2.gz FPOGSLDYMRPNBY-NHYWBVRUSA-N 1 2 300.362 3.130 20 5 DGBDLO CSc1ccccc1C[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595468780 400160188 /nfs/dbraw/zinc/16/01/88/400160188.db2.gz LUBVPKGCOBEVRD-UHFFFAOYSA-N 1 2 307.375 3.245 20 5 DGBDLO CSc1ccccc1C[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595468780 400160193 /nfs/dbraw/zinc/16/01/93/400160193.db2.gz LUBVPKGCOBEVRD-UHFFFAOYSA-N 1 2 307.375 3.245 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)c2ccncc21 ZINC000015130717 400160423 /nfs/dbraw/zinc/16/04/23/400160423.db2.gz MKFSMPWHBSDVRD-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO COc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1OC ZINC000015300016 400164540 /nfs/dbraw/zinc/16/45/40/400164540.db2.gz SWKSPAURZRSGBI-UHFFFAOYSA-N 1 2 316.357 3.244 20 5 DGBDLO COc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1OC ZINC000015300016 400164545 /nfs/dbraw/zinc/16/45/45/400164545.db2.gz SWKSPAURZRSGBI-UHFFFAOYSA-N 1 2 316.357 3.244 20 5 DGBDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595496832 400168039 /nfs/dbraw/zinc/16/80/39/400168039.db2.gz JHJLUSPPEIVQJO-CYBMUJFWSA-N 1 2 319.361 3.483 20 5 DGBDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595496832 400168042 /nfs/dbraw/zinc/16/80/42/400168042.db2.gz JHJLUSPPEIVQJO-CYBMUJFWSA-N 1 2 319.361 3.483 20 5 DGBDLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000595866492 400283139 /nfs/dbraw/zinc/28/31/39/400283139.db2.gz HZYALEILNXLSPB-BMIGLBTASA-N 1 2 322.311 3.257 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595916170 400294785 /nfs/dbraw/zinc/29/47/85/400294785.db2.gz JWINMKPMCMQCFM-IAQYHMDHSA-N 1 2 314.332 3.320 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595916170 400294790 /nfs/dbraw/zinc/29/47/90/400294790.db2.gz JWINMKPMCMQCFM-IAQYHMDHSA-N 1 2 314.332 3.320 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595916301 400295151 /nfs/dbraw/zinc/29/51/51/400295151.db2.gz OHDOEQHRVYZOKK-QMTHXVAHSA-N 1 2 300.305 3.012 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595916301 400295155 /nfs/dbraw/zinc/29/51/55/400295155.db2.gz OHDOEQHRVYZOKK-QMTHXVAHSA-N 1 2 300.305 3.012 20 5 DGBDLO CCN(CC)c1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])c[nH+]1 ZINC000589108512 400260284 /nfs/dbraw/zinc/26/02/84/400260284.db2.gz WCAGTBKHSKCFDO-UHFFFAOYSA-N 1 2 321.768 3.050 20 5 DGBDLO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093868492 400260765 /nfs/dbraw/zinc/26/07/65/400260765.db2.gz HHCGXWWYPAVVJD-JSGCOSHPSA-N 1 2 310.419 3.406 20 5 DGBDLO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093868492 400260769 /nfs/dbraw/zinc/26/07/69/400260769.db2.gz HHCGXWWYPAVVJD-JSGCOSHPSA-N 1 2 310.419 3.406 20 5 DGBDLO CC(C)(C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1[N+](=O)[O-] ZINC000590242249 400371378 /nfs/dbraw/zinc/37/13/78/400371378.db2.gz ITGFDVRELKWZLL-UHFFFAOYSA-N 1 2 324.340 3.159 20 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/nfs/dbraw/zinc/51/45/05/400514505.db2.gz OSTCJQSLBUXACP-LLVKDONJSA-N 1 2 319.386 3.115 20 5 DGBDLO Cc1cc(NCCNc2ccc3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000074742912 400531328 /nfs/dbraw/zinc/53/13/28/400531328.db2.gz BRWMGFMGHOXBCW-UHFFFAOYSA-N 1 2 323.356 3.370 20 5 DGBDLO CCCn1nccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596979387 400532116 /nfs/dbraw/zinc/53/21/16/400532116.db2.gz LHZHXLMLIDBXGN-UHFFFAOYSA-N 1 2 314.389 3.366 20 5 DGBDLO CCCn1nccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596979387 400532123 /nfs/dbraw/zinc/53/21/23/400532123.db2.gz LHZHXLMLIDBXGN-UHFFFAOYSA-N 1 2 314.389 3.366 20 5 DGBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602697200 400542220 /nfs/dbraw/zinc/54/22/20/400542220.db2.gz DVOTYQXNUJHWRG-LLVKDONJSA-N 1 2 319.361 3.125 20 5 DGBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602697200 400542229 /nfs/dbraw/zinc/54/22/29/400542229.db2.gz DVOTYQXNUJHWRG-LLVKDONJSA-N 1 2 319.361 3.125 20 5 DGBDLO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](CC)CO1 ZINC000602697728 400542397 /nfs/dbraw/zinc/54/23/97/400542397.db2.gz HXOOLJNUYNSTKY-AAEUAGOBSA-N 1 2 319.361 3.125 20 5 DGBDLO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](CC)CO1 ZINC000602697728 400542402 /nfs/dbraw/zinc/54/24/02/400542402.db2.gz HXOOLJNUYNSTKY-AAEUAGOBSA-N 1 2 319.361 3.125 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000597254387 400599979 /nfs/dbraw/zinc/59/99/79/400599979.db2.gz BXGPSHHKSOMVIZ-IAQYHMDHSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000597254387 400599983 /nfs/dbraw/zinc/59/99/83/400599983.db2.gz BXGPSHHKSOMVIZ-IAQYHMDHSA-N 1 2 314.332 3.148 20 5 DGBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCCO2 ZINC000047264933 400607309 /nfs/dbraw/zinc/60/73/09/400607309.db2.gz RPZWLXRONDLTFY-UHFFFAOYSA-N 1 2 320.370 3.060 20 5 DGBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCCO2 ZINC000047264933 400607312 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CCC(F)(F)CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599068107 400949110 /nfs/dbraw/zinc/94/91/10/400949110.db2.gz CSSZJRORUWJALP-CYBMUJFWSA-N 1 2 324.331 3.053 20 5 DGBDLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598935460 400909219 /nfs/dbraw/zinc/90/92/19/400909219.db2.gz HVGOOAWVZILVEB-UHFFFAOYSA-N 1 2 312.373 3.067 20 5 DGBDLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598935460 400909223 /nfs/dbraw/zinc/90/92/23/400909223.db2.gz HVGOOAWVZILVEB-UHFFFAOYSA-N 1 2 312.373 3.067 20 5 DGBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000599080764 400953617 /nfs/dbraw/zinc/95/36/17/400953617.db2.gz QZOUFNZVFUNXNM-ZBEGNZNMSA-N 1 2 313.357 3.147 20 5 DGBDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000599166491 400984167 /nfs/dbraw/zinc/98/41/67/400984167.db2.gz YTLXZNPXZCJOKS-JNIYBQFBSA-N 1 2 301.346 3.367 20 5 DGBDLO CCOc1cc(NCCc2ccc(C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000080982053 401012694 /nfs/dbraw/zinc/01/26/94/401012694.db2.gz NBVAFLLGHKGIDG-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO O=[N+]([O-])c1c(NCCC[C@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599086905 400956634 /nfs/dbraw/zinc/95/66/34/400956634.db2.gz ATQBGTUNPJKANK-LBPRGKRZSA-N 1 2 301.346 3.372 20 5 DGBDLO C[C@H]1CCC[C@@]1(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599086811 400956956 /nfs/dbraw/zinc/95/69/56/400956956.db2.gz SIIAVZZONUKSIA-MEDUHNTESA-N 1 2 301.346 3.106 20 5 DGBDLO COC[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599088972 400957136 /nfs/dbraw/zinc/95/71/36/400957136.db2.gz VLKDOLDJXNLXID-CYBMUJFWSA-N 1 2 315.373 3.396 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H](CCO)CC1 ZINC000599094063 400959082 /nfs/dbraw/zinc/95/90/82/400959082.db2.gz YYCRDNLIUACNQM-ZDUSSCGKSA-N 1 2 315.373 3.132 20 5 DGBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000599496985 401059579 /nfs/dbraw/zinc/05/95/79/401059579.db2.gz NGIJCQYFOBZHMK-KRWDZBQOSA-N 1 2 320.389 3.291 20 5 DGBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000599496985 401059584 /nfs/dbraw/zinc/05/95/84/401059584.db2.gz NGIJCQYFOBZHMK-KRWDZBQOSA-N 1 2 320.389 3.291 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000060296327 401106307 /nfs/dbraw/zinc/10/63/07/401106307.db2.gz JKKPNVAEDLMLHP-UHFFFAOYSA-N 1 2 306.753 3.286 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2ncccc2F)cc1[N+](=O)[O-] ZINC000090720913 401272377 /nfs/dbraw/zinc/27/23/77/401272377.db2.gz LBLGYXJECYJTDX-NSHDSACASA-N 1 2 319.336 3.378 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000595010264 401229987 /nfs/dbraw/zinc/22/99/87/401229987.db2.gz APYVTFKRDMADAQ-VIFPVBQESA-N 1 2 307.375 3.219 20 5 DGBDLO COc1cc(NC[C@@H]2CCCn3cc(C)[nH+]c32)ccc1[N+](=O)[O-] ZINC000361190888 286620506 /nfs/dbraw/zinc/62/05/06/286620506.db2.gz XXFMLAQMPJDMMY-LBPRGKRZSA-N 1 2 316.361 3.098 20 5 DGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000134111488 196362781 /nfs/dbraw/zinc/36/27/81/196362781.db2.gz FSRKVMXWYDRLOS-ABAIWWIYSA-N 1 2 304.325 3.018 20 5 DGBDLO C[C@]1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCC[C@@H]1O ZINC000413175116 230146211 /nfs/dbraw/zinc/14/62/11/230146211.db2.gz QWAHAWSPEGYVNX-DOTOQJQBSA-N 1 2 315.373 3.496 20 5 DGBDLO C[C@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)c2nccn21 ZINC000413314247 230187108 /nfs/dbraw/zinc/18/71/08/230187108.db2.gz IYTKXOUXLMSTBU-HZMBPMFUSA-N 1 2 309.329 3.457 20 5 DGBDLO C[C@@H]1C[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@H](C)O1 ZINC000413532205 230255749 /nfs/dbraw/zinc/25/57/49/230255749.db2.gz MSDKPQDQXFVBHI-MDZLAQPJSA-N 1 2 301.346 3.368 20 5 DGBDLO C[C@@H]1C[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@H](C)O1 ZINC000413532207 230255872 /nfs/dbraw/zinc/25/58/72/230255872.db2.gz MSDKPQDQXFVBHI-NTZNESFSSA-N 1 2 301.346 3.368 20 5 DGBDLO CCOC(=O)[C@@H](C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000191709037 263762120 /nfs/dbraw/zinc/76/21/20/263762120.db2.gz KMGDALCTKLGLTE-STMXVASLSA-N 1 2 318.373 3.024 20 5 DGBDLO CCOC(=O)[C@@H](C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000191709037 263762122 /nfs/dbraw/zinc/76/21/22/263762122.db2.gz KMGDALCTKLGLTE-STMXVASLSA-N 1 2 318.373 3.024 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000352388666 265027728 /nfs/dbraw/zinc/02/77/28/265027728.db2.gz TYBNKDQTDCMPPV-NVXWUHKLSA-N 1 2 304.390 3.472 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000352388666 265027731 /nfs/dbraw/zinc/02/77/31/265027731.db2.gz TYBNKDQTDCMPPV-NVXWUHKLSA-N 1 2 304.390 3.472 20 5 DGBDLO CCc1[nH+]c(C)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000352554982 265086744 /nfs/dbraw/zinc/08/67/44/265086744.db2.gz YGWMJVWXFVDZFQ-UHFFFAOYSA-N 1 2 302.330 3.318 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1csc2ccccc12 ZINC000355549710 266112059 /nfs/dbraw/zinc/11/20/59/266112059.db2.gz DQTMLKQDFAQZHE-UHFFFAOYSA-N 1 2 316.386 3.175 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1csc2ccccc12 ZINC000355549710 266112063 /nfs/dbraw/zinc/11/20/63/266112063.db2.gz DQTMLKQDFAQZHE-UHFFFAOYSA-N 1 2 316.386 3.175 20 5 DGBDLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355800992 266189057 /nfs/dbraw/zinc/18/90/57/266189057.db2.gz LZYBCQKQLDOZOB-JTQLQIEISA-N 1 2 308.769 3.175 20 5 DGBDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355800992 266189061 /nfs/dbraw/zinc/18/90/61/266189061.db2.gz LZYBCQKQLDOZOB-JTQLQIEISA-N 1 2 308.769 3.175 20 5 DGBDLO Cc1ccc(Cc2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000356129062 266292200 /nfs/dbraw/zinc/29/22/00/266292200.db2.gz QJUHMUUKHZBGKU-UHFFFAOYSA-N 1 2 314.276 3.078 20 5 DGBDLO CCO[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000413323606 276339548 /nfs/dbraw/zinc/33/95/48/276339548.db2.gz YTHVMWJBBHNZQM-MLGOLLRUSA-N 1 2 315.373 3.394 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(NCC3CCOCC3)[nH+]c2)cc1 ZINC000600786728 430533764 /nfs/dbraw/zinc/53/37/64/430533764.db2.gz ROSJBXAJILFMFZ-UHFFFAOYSA-N 1 2 313.357 3.495 20 5 DGBDLO CC(C)(C)c1nc(NCCOc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000610515252 430565135 /nfs/dbraw/zinc/56/51/35/430565135.db2.gz NRDMKZVODNWTQB-UHFFFAOYSA-N 1 2 316.361 3.173 20 5 DGBDLO CC(=O)c1ccc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000267287981 278246807 /nfs/dbraw/zinc/24/68/07/278246807.db2.gz QNCLTJGNLHJWMM-AWEZNQCLSA-N 1 2 314.345 3.252 20 5 DGBDLO Cc1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000112298317 431264879 /nfs/dbraw/zinc/26/48/79/431264879.db2.gz UBGVXLBTRSLBCK-UHFFFAOYSA-N 1 2 314.345 3.129 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832245 431498823 /nfs/dbraw/zinc/49/88/23/431498823.db2.gz ZGQCIMOWTZNABD-UHFFFAOYSA-N 1 2 308.353 3.269 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832245 431498828 /nfs/dbraw/zinc/49/88/28/431498828.db2.gz ZGQCIMOWTZNABD-UHFFFAOYSA-N 1 2 308.353 3.269 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000121095105 431745509 /nfs/dbraw/zinc/74/55/09/431745509.db2.gz DAVZZFKEGUINIE-LLVKDONJSA-N 1 2 300.318 3.181 20 5 DGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000045096307 431881658 /nfs/dbraw/zinc/88/16/58/431881658.db2.gz PNUGZQBZVVMGMR-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000183261564 432276875 /nfs/dbraw/zinc/27/68/75/432276875.db2.gz GOGJFMMPAYUIJR-LLVKDONJSA-N 1 2 322.796 3.483 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000183261564 432276879 /nfs/dbraw/zinc/27/68/79/432276879.db2.gz GOGJFMMPAYUIJR-LLVKDONJSA-N 1 2 322.796 3.483 20 5 DGBDLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000192764004 432411820 /nfs/dbraw/zinc/41/18/20/432411820.db2.gz KYHMNSQHSGERLV-NWDGAFQWSA-N 1 2 316.361 3.119 20 5 DGBDLO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn[nH]c1C ZINC000271516729 432412489 /nfs/dbraw/zinc/41/24/89/432412489.db2.gz PSDKUFIXOCKXFF-ZDUSSCGKSA-N 1 2 320.418 3.287 20 5 DGBDLO COc1ncccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193458739 432474849 /nfs/dbraw/zinc/47/48/49/432474849.db2.gz UWKSWIFLOYEXKF-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ncccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193458739 432474853 /nfs/dbraw/zinc/47/48/53/432474853.db2.gz UWKSWIFLOYEXKF-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(F)c1 ZINC000153952813 432459901 /nfs/dbraw/zinc/45/99/01/432459901.db2.gz XJSSPCKABRROMS-MRXNPFEDSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(F)c1 ZINC000153952813 432459904 /nfs/dbraw/zinc/45/99/04/432459904.db2.gz XJSSPCKABRROMS-MRXNPFEDSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(O)cc(F)c2)c(Cl)c1 ZINC000185631352 432518718 /nfs/dbraw/zinc/51/87/18/432518718.db2.gz PLVDVHGCCFYAEE-UHFFFAOYSA-N 1 2 310.712 3.383 20 5 DGBDLO Cn1c2ccccc2nc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000154859656 432524909 /nfs/dbraw/zinc/52/49/09/432524909.db2.gz NMKCXZQYDCOJMD-UHFFFAOYSA-N 1 2 310.357 3.114 20 5 DGBDLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000154859656 432524912 /nfs/dbraw/zinc/52/49/12/432524912.db2.gz NMKCXZQYDCOJMD-UHFFFAOYSA-N 1 2 310.357 3.114 20 5 DGBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000263732645 432570775 /nfs/dbraw/zinc/57/07/75/432570775.db2.gz QDKZOOBAMUWXEJ-OAHLLOKOSA-N 1 2 318.398 3.402 20 5 DGBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000263732645 432570779 /nfs/dbraw/zinc/57/07/79/432570779.db2.gz QDKZOOBAMUWXEJ-OAHLLOKOSA-N 1 2 318.398 3.402 20 5 DGBDLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186412323 432593019 /nfs/dbraw/zinc/59/30/19/432593019.db2.gz JVJLWOSNVBIRBC-HIFRSBDPSA-N 1 2 322.405 3.093 20 5 DGBDLO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186412339 432593500 /nfs/dbraw/zinc/59/35/00/432593500.db2.gz JVJLWOSNVBIRBC-UKRRQHHQSA-N 1 2 322.405 3.093 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccn1 ZINC000273406573 432595991 /nfs/dbraw/zinc/59/59/91/432595991.db2.gz NNDOUPCNJVSTHJ-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccccn1 ZINC000273406573 432595994 /nfs/dbraw/zinc/59/59/94/432595994.db2.gz NNDOUPCNJVSTHJ-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000273663260 432624523 /nfs/dbraw/zinc/62/45/23/432624523.db2.gz YANWWMXFMDVNBC-ZETCQYMHSA-N 1 2 312.782 3.259 20 5 DGBDLO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000178688027 432766206 /nfs/dbraw/zinc/76/62/06/432766206.db2.gz DJIRZTPMFKNUNP-MNOVXSKESA-N 1 2 304.350 3.260 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000163521443 432855681 /nfs/dbraw/zinc/85/56/81/432855681.db2.gz CKCBSZQSJVQHIJ-UHFFFAOYSA-N 1 2 320.780 3.351 20 5 DGBDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1O ZINC000289349202 432947525 /nfs/dbraw/zinc/94/75/25/432947525.db2.gz KPIDKLQKLKKTED-PELKAZGASA-N 1 2 319.188 3.104 20 5 DGBDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1O ZINC000289349202 432947528 /nfs/dbraw/zinc/94/75/28/432947528.db2.gz KPIDKLQKLKKTED-PELKAZGASA-N 1 2 319.188 3.104 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000296395848 432903638 /nfs/dbraw/zinc/90/36/38/432903638.db2.gz VIMWNEXHIRPIPE-CQSZACIVSA-N 1 2 300.362 3.224 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1NCCc1cn2ccccc2[nH+]1 ZINC000341375339 433041292 /nfs/dbraw/zinc/04/12/92/433041292.db2.gz ZDOKEEIRRSCPCL-UHFFFAOYSA-N 1 2 300.293 3.036 20 5 DGBDLO CC(=O)c1cc(NCc2cn3cc(C)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000341592138 433153873 /nfs/dbraw/zinc/15/38/73/433153873.db2.gz PBKPKABZCMUDHQ-UHFFFAOYSA-N 1 2 324.340 3.366 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnc(C)s1 ZINC000298751799 433237798 /nfs/dbraw/zinc/23/77/98/433237798.db2.gz WLXBPMJBQWBAQI-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000298751799 433237809 /nfs/dbraw/zinc/23/78/09/433237809.db2.gz WLXBPMJBQWBAQI-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C2CC2)O1 ZINC000413264731 433269153 /nfs/dbraw/zinc/26/91/53/433269153.db2.gz JYPIYLJGBNAPQQ-MEDUHNTESA-N 1 2 313.357 3.147 20 5 DGBDLO C[C@H]1CC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447809583 433284435 /nfs/dbraw/zinc/28/44/35/433284435.db2.gz ASIBZAYBGNGXPV-ZFWWWQNUSA-N 1 2 319.405 3.028 20 5 DGBDLO CC[C@@H](C)[C@@H](C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817622 433290666 /nfs/dbraw/zinc/29/06/66/433290666.db2.gz PGTKBVCTOKDJIH-ZIAGYGMSSA-N 1 2 321.421 3.274 20 5 DGBDLO CC(C)(C)[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000447827362 433291685 /nfs/dbraw/zinc/29/16/85/433291685.db2.gz BIXQSADVKMFHIZ-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000447827362 433291694 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CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351246466 433438150 /nfs/dbraw/zinc/43/81/50/433438150.db2.gz DGMKLBIQUSQOJV-QGZVFWFLSA-N 1 2 322.405 3.239 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351246466 433438162 /nfs/dbraw/zinc/43/81/62/433438162.db2.gz DGMKLBIQUSQOJV-QGZVFWFLSA-N 1 2 322.405 3.239 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000375615988 433506722 /nfs/dbraw/zinc/50/67/22/433506722.db2.gz CCDSJMXQWOIJHH-OAHLLOKOSA-N 1 2 316.361 3.054 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000375615988 433506734 /nfs/dbraw/zinc/50/67/34/433506734.db2.gz CCDSJMXQWOIJHH-OAHLLOKOSA-N 1 2 316.361 3.054 20 5 DGBDLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000351527710 433554873 /nfs/dbraw/zinc/55/48/73/433554873.db2.gz ARCKBIOMMFIVQR-UHFFFAOYSA-N 1 2 324.296 3.363 20 5 DGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000301624032 433646029 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O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3ccccn3)C3CC3)nc2c1 ZINC000356862382 433736212 /nfs/dbraw/zinc/73/62/12/433736212.db2.gz DZLPIQMDYGYPOY-UHFFFAOYSA-N 1 2 323.356 3.031 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000422106137 433877904 /nfs/dbraw/zinc/87/79/04/433877904.db2.gz WDQOKWPRPBZAND-AWEZNQCLSA-N 1 2 316.361 3.062 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])CCC2 ZINC000378230582 293766027 /nfs/dbraw/zinc/76/60/27/293766027.db2.gz IEEMDQSRGZHGMN-LLVKDONJSA-N 1 2 304.325 3.228 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000294069147 433983316 /nfs/dbraw/zinc/98/33/16/433983316.db2.gz QKLWPPZEKGEYKM-VCPQXCNPSA-N 1 2 314.385 3.251 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000294069147 433983329 /nfs/dbraw/zinc/98/33/29/433983329.db2.gz QKLWPPZEKGEYKM-VCPQXCNPSA-N 1 2 314.385 3.251 20 5 DGBDLO Cc1cc(N2CC[C@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000499701908 294091772 /nfs/dbraw/zinc/09/17/72/294091772.db2.gz ODCWMVLXWGTNRW-INIZCTEOSA-N 1 2 316.336 3.299 20 5 DGBDLO CCc1cc(N[C@@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507105940 294282445 /nfs/dbraw/zinc/28/24/45/294282445.db2.gz WTKFXNMWZSJFGI-NSHDSACASA-N 1 2 300.362 3.247 20 5 DGBDLO CCOC(=O)[C@H](C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000347410871 434266387 /nfs/dbraw/zinc/26/63/87/434266387.db2.gz KMGDALCTKLGLTE-WOLRVDTOSA-N 1 2 318.373 3.024 20 5 DGBDLO CCOC(=O)[C@H](C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000347410871 434266394 /nfs/dbraw/zinc/26/63/94/434266394.db2.gz KMGDALCTKLGLTE-WOLRVDTOSA-N 1 2 318.373 3.024 20 5 DGBDLO COc1c(C)c[nH+]c(CN2CCc3c2cccc3[N+](=O)[O-])c1C ZINC000353554785 434226674 /nfs/dbraw/zinc/22/66/74/434226674.db2.gz AKGWGJARVFEENL-UHFFFAOYSA-N 1 2 313.357 3.178 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000354056892 434595888 /nfs/dbraw/zinc/59/58/88/434595888.db2.gz ODKWSHNKKALQPG-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000354056892 434595891 /nfs/dbraw/zinc/59/58/91/434595891.db2.gz ODKWSHNKKALQPG-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO Cc1noc(C2C[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C2)n1 ZINC000459603772 434628386 /nfs/dbraw/zinc/62/83/86/434628386.db2.gz IMRHCXSJMYZPBP-UHFFFAOYSA-N 1 2 316.361 3.009 20 5 DGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000493008617 435089892 /nfs/dbraw/zinc/08/98/92/435089892.db2.gz TWAUVXBHLIUCPH-BQYQJAHWSA-N 1 2 314.345 3.026 20 5 DGBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493235020 435130766 /nfs/dbraw/zinc/13/07/66/435130766.db2.gz HCECIJJUWNLFQN-LBPRGKRZSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493235020 435130771 /nfs/dbraw/zinc/13/07/71/435130771.db2.gz HCECIJJUWNLFQN-LBPRGKRZSA-N 1 2 312.797 3.495 20 5 DGBDLO CCc1cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000535013582 435309703 /nfs/dbraw/zinc/30/97/03/435309703.db2.gz RWCFZOBXILPEBB-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO CCc1cnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000535013582 435309708 /nfs/dbraw/zinc/30/97/08/435309708.db2.gz RWCFZOBXILPEBB-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO Cc1cccn2cc(CC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)[nH+]c12 ZINC000540752197 435616808 /nfs/dbraw/zinc/61/68/08/435616808.db2.gz WSANATXHFXVOAA-UHFFFAOYSA-N 1 2 324.340 3.041 20 5 DGBDLO CC1(C)C[C@H](O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000570686244 435642813 /nfs/dbraw/zinc/64/28/13/435642813.db2.gz BHHWLFNSHCLMDD-CQSZACIVSA-N 1 2 315.373 3.130 20 5 DGBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000281419401 303089010 /nfs/dbraw/zinc/08/90/10/303089010.db2.gz OPNXJIJWNIPFDD-MRXNPFEDSA-N 1 2 300.362 3.056 20 5 DGBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000281419401 303089012 /nfs/dbraw/zinc/08/90/12/303089012.db2.gz OPNXJIJWNIPFDD-MRXNPFEDSA-N 1 2 300.362 3.056 20 5 DGBDLO Cc1ccc(Cc2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c[nH+]1 ZINC000545690441 314262358 /nfs/dbraw/zinc/26/23/58/314262358.db2.gz FSFZUCMJNZTUPQ-UHFFFAOYSA-N 1 2 310.313 3.247 20 5 DGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180450644 323229541 /nfs/dbraw/zinc/22/95/41/323229541.db2.gz HHZVDKPEQCSVSB-SNVBAGLBSA-N 1 2 314.301 3.089 20 5 DGBDLO Cc1cc(NCc2[nH+]ccn2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000292727880 534001166 /nfs/dbraw/zinc/00/11/66/534001166.db2.gz ILXRPBUFWJNCHT-UHFFFAOYSA-N 1 2 314.267 3.268 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOC(F)(F)F)c2c1 ZINC000413255239 534885055 /nfs/dbraw/zinc/88/50/55/534885055.db2.gz HASOBJHEKWIQIB-UHFFFAOYSA-N 1 2 301.224 3.091 20 5 DGBDLO CC(C)[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413326462 527863564 /nfs/dbraw/zinc/86/35/64/527863564.db2.gz LJGOSYXLFBXKHU-MRXNPFEDSA-N 1 2 315.373 3.394 20 5 DGBDLO CC(C)[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1[nH]cc[nH+]1 ZINC000296812958 528600569 /nfs/dbraw/zinc/60/05/69/528600569.db2.gz QETNSWXPSXRTLH-GFCCVEGCSA-N 1 2 300.322 3.003 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000734850895 574678640 /nfs/dbraw/zinc/67/86/40/574678640.db2.gz QNKLNORDKAYGDJ-HNNXBMFYSA-N 1 2 324.739 3.211 20 5 DGBDLO Cc1ccccc1CC(N)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000751124556 575771320 /nfs/dbraw/zinc/77/13/20/575771320.db2.gz LIFMQCILFHRLED-UHFFFAOYSA-N 1 2 317.320 3.283 20 5 DGBDLO COc1c(O)ccc(C[N@H+](Cc2ccco2)C(C)C)c1[N+](=O)[O-] ZINC000891582271 617842374 /nfs/dbraw/zinc/84/23/74/617842374.db2.gz CYGBXZHHIJKHJX-UHFFFAOYSA-N 1 2 320.345 3.313 20 5 DGBDLO COc1c(O)ccc(C[N@@H+](Cc2ccco2)C(C)C)c1[N+](=O)[O-] ZINC000891582271 617842382 /nfs/dbraw/zinc/84/23/82/617842382.db2.gz CYGBXZHHIJKHJX-UHFFFAOYSA-N 1 2 320.345 3.313 20 5 DGBDLO C[N@H+](Cc1cnn(C2CCC2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000891620847 617854751 /nfs/dbraw/zinc/85/47/51/617854751.db2.gz KUTCLCQSBCWSHH-UHFFFAOYSA-N 1 2 300.362 3.148 20 5 DGBDLO C[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000891620847 617854755 /nfs/dbraw/zinc/85/47/55/617854755.db2.gz KUTCLCQSBCWSHH-UHFFFAOYSA-N 1 2 300.362 3.148 20 5 DGBDLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000926268812 617915420 /nfs/dbraw/zinc/91/54/20/617915420.db2.gz IGUAFPPPGYTBIV-CYBMUJFWSA-N 1 2 301.346 3.367 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C(F)(F)F)C1 ZINC000894892190 618489680 /nfs/dbraw/zinc/48/96/80/618489680.db2.gz YYIRNTZJVLAPOE-YHYXMXQVSA-N 1 2 300.280 3.492 20 5 DGBDLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903186506 619736918 /nfs/dbraw/zinc/73/69/18/619736918.db2.gz LWZYZMNZMVYSQU-NWDGAFQWSA-N 1 2 318.377 3.232 20 5 DGBDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000905229517 619979281 /nfs/dbraw/zinc/97/92/81/619979281.db2.gz JQOBAFUDTNXWDA-GFCCVEGCSA-N 1 2 311.769 3.060 20 5 DGBDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000905229517 619979283 /nfs/dbraw/zinc/97/92/83/619979283.db2.gz JQOBAFUDTNXWDA-GFCCVEGCSA-N 1 2 311.769 3.060 20 5 DGBDLO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000914565433 620542602 /nfs/dbraw/zinc/54/26/02/620542602.db2.gz UTWQOYZTFNFBNG-UHFFFAOYSA-N 1 2 302.378 3.178 20 5 DGBDLO C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000914565433 620542603 /nfs/dbraw/zinc/54/26/03/620542603.db2.gz UTWQOYZTFNFBNG-UHFFFAOYSA-N 1 2 302.378 3.178 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCO)Cc2ccccc2)c1 ZINC000122128165 622239261 /nfs/dbraw/zinc/23/92/61/622239261.db2.gz NDKRIAFQUOUQML-UHFFFAOYSA-N 1 2 320.776 3.243 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000122128165 622239264 /nfs/dbraw/zinc/23/92/64/622239264.db2.gz NDKRIAFQUOUQML-UHFFFAOYSA-N 1 2 320.776 3.243 20 5 DGBDLO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034876 622765953 /nfs/dbraw/zinc/76/59/53/622765953.db2.gz LTUNXRJVRBBILW-SMDDNHRTSA-N 1 2 304.321 3.118 20 5 DGBDLO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063886 622785014 /nfs/dbraw/zinc/78/50/14/622785014.db2.gz UWYGKIBZLDTYPL-JOYOIKCWSA-N 1 2 310.350 3.180 20 5 DGBDLO C[C@H](NCc1c[nH+]c2n1CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872069339 622788558 /nfs/dbraw/zinc/78/85/58/622788558.db2.gz MXODFRCHGCTWJB-NSHDSACASA-N 1 2 318.352 3.118 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872262196 622871050 /nfs/dbraw/zinc/87/10/50/622871050.db2.gz SPHYSVWTPJRQJM-INIZCTEOSA-N 1 2 320.389 3.224 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872262196 622871053 /nfs/dbraw/zinc/87/10/53/622871053.db2.gz SPHYSVWTPJRQJM-INIZCTEOSA-N 1 2 320.389 3.224 20 5 DGBDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000873114009 623038746 /nfs/dbraw/zinc/03/87/46/623038746.db2.gz RQGXLSNUUHZGJQ-PWSUYJOCSA-N 1 2 317.393 3.386 20 5 DGBDLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000124788962 623230992 /nfs/dbraw/zinc/23/09/92/623230992.db2.gz JRXAEGBNAQKDTP-ZDUSSCGKSA-N 1 2 323.356 3.026 20 5 DGBDLO O=[N+]([O-])c1ccc2nc(NCCCCn3cc[nH+]c3)sc2c1 ZINC000775483733 623279178 /nfs/dbraw/zinc/27/91/78/623279178.db2.gz RXGSFQUHBADEHS-UHFFFAOYSA-N 1 2 317.374 3.293 20 5 DGBDLO COc1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000877087413 623788467 /nfs/dbraw/zinc/78/84/67/623788467.db2.gz LIFBTJCTMAZKJF-UHFFFAOYSA-N 1 2 313.766 3.003 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781352791 624058597 /nfs/dbraw/zinc/05/85/97/624058597.db2.gz HLCYJQQRKNKJBP-NSHDSACASA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781352791 624058601 /nfs/dbraw/zinc/05/86/01/624058601.db2.gz HLCYJQQRKNKJBP-NSHDSACASA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000782979041 624298043 /nfs/dbraw/zinc/29/80/43/624298043.db2.gz NEICDGYEOOBNSN-UHFFFAOYSA-N 1 2 314.389 3.488 20 5 DGBDLO O=C(OCCC1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000783446325 624352164 /nfs/dbraw/zinc/35/21/64/624352164.db2.gz DBALIBHODLFHCM-UHFFFAOYSA-N 1 2 315.329 3.128 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1Cl ZINC000783665114 624381318 /nfs/dbraw/zinc/38/13/18/624381318.db2.gz UFFGKOSMDQUGSF-SNVBAGLBSA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1Cl ZINC000783665114 624381323 /nfs/dbraw/zinc/38/13/23/624381323.db2.gz UFFGKOSMDQUGSF-SNVBAGLBSA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(F)CC1 ZINC000880239766 624863474 /nfs/dbraw/zinc/86/34/74/624863474.db2.gz PVLCVWCOUSUHSG-UHFFFAOYSA-N 1 2 317.158 3.291 20 5 DGBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880461031 624961156 /nfs/dbraw/zinc/96/11/56/624961156.db2.gz FMRRIWHTYMBIHK-KRWDZBQOSA-N 1 2 318.348 3.289 20 5 DGBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880461031 624961158 /nfs/dbraw/zinc/96/11/58/624961158.db2.gz FMRRIWHTYMBIHK-KRWDZBQOSA-N 1 2 318.348 3.289 20 5 DGBDLO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000883464036 626687029 /nfs/dbraw/zinc/68/70/29/626687029.db2.gz CWLXNPNCZMGANU-MRXNPFEDSA-N 1 2 313.357 3.335 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@@](C)(F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840100693 626760135 /nfs/dbraw/zinc/76/01/35/626760135.db2.gz WGUDMNQCXCAWEB-OAHLLOKOSA-N 1 2 306.341 3.034 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@@](C)(F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840100693 626760136 /nfs/dbraw/zinc/76/01/36/626760136.db2.gz WGUDMNQCXCAWEB-OAHLLOKOSA-N 1 2 306.341 3.034 20 5 DGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cn3cc(Cl)cn3)C2)cc1 ZINC000840124254 626776992 /nfs/dbraw/zinc/77/69/92/626776992.db2.gz IPGRGUOOMKEPTA-ZDUSSCGKSA-N 1 2 320.780 3.282 20 5 DGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cn3cc(Cl)cn3)C2)cc1 ZINC000840124254 626776996 /nfs/dbraw/zinc/77/69/96/626776996.db2.gz IPGRGUOOMKEPTA-ZDUSSCGKSA-N 1 2 320.780 3.282 20 5 DGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCCc1cn2ccccc2[nH+]1 ZINC000807922353 626777872 /nfs/dbraw/zinc/77/78/72/626777872.db2.gz BHOSDWWNONHXLA-UHFFFAOYSA-N 1 2 324.340 3.100 20 5 DGBDLO CSc1ccccc1C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886181934 627118140 /nfs/dbraw/zinc/11/81/40/627118140.db2.gz XXKXPUQOTSUJTK-UHFFFAOYSA-N 1 2 303.387 3.344 20 5 DGBDLO CSc1ccccc1C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886181934 627118143 /nfs/dbraw/zinc/11/81/43/627118143.db2.gz XXKXPUQOTSUJTK-UHFFFAOYSA-N 1 2 303.387 3.344 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000886684091 627189328 /nfs/dbraw/zinc/18/93/28/627189328.db2.gz FBBIUWSWJCKXGE-JTQLQIEISA-N 1 2 317.345 3.320 20 5 DGBDLO CN(CCCn1cc[nH+]c1)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845505903 631179387 /nfs/dbraw/zinc/17/93/87/631179387.db2.gz PDIBFAGNQWHMKH-UHFFFAOYSA-N 1 2 312.732 3.110 20 5 DGBDLO C[C@@]1(F)CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848490096 631669972 /nfs/dbraw/zinc/66/99/72/631669972.db2.gz LRVGNNDVRPEMRD-MRXNPFEDSA-N 1 2 318.352 3.240 20 5 DGBDLO C[C@@]1(F)CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848490096 631669976 /nfs/dbraw/zinc/66/99/76/631669976.db2.gz LRVGNNDVRPEMRD-MRXNPFEDSA-N 1 2 318.352 3.240 20 5 DGBDLO CCc1onc(C)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930098368 661366044 /nfs/dbraw/zinc/36/60/44/661366044.db2.gz BFECZOGVWUAXMK-UHFFFAOYSA-N 1 2 301.346 3.012 20 5 DGBDLO CCc1onc(C)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930098368 661366047 /nfs/dbraw/zinc/36/60/47/661366047.db2.gz BFECZOGVWUAXMK-UHFFFAOYSA-N 1 2 301.346 3.012 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(F)(C4CC4)CC3)nc2c1 ZINC000932626634 661587634 /nfs/dbraw/zinc/58/76/34/661587634.db2.gz LUVNQGXYNDUEDM-UHFFFAOYSA-N 1 2 318.352 3.185 20 5 DGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1Cl ZINC001585376486 1192258173 /nfs/dbraw/zinc/25/81/73/1192258173.db2.gz QKWPXZCJKNUGSF-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO CCc1nnc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC001334859622 1178816472 /nfs/dbraw/zinc/81/64/72/1178816472.db2.gz PIEDUHDBSQVFIS-UHFFFAOYSA-N 1 2 306.391 3.034 20 5 DGBDLO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1C ZINC001472795639 1183682079 /nfs/dbraw/zinc/68/20/79/1183682079.db2.gz JSIQCLSLTPGYMV-DTORHVGOSA-N 1 2 318.204 3.430 20 5 DGBDLO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@@H+]1C ZINC001472795639 1183682082 /nfs/dbraw/zinc/68/20/82/1183682082.db2.gz JSIQCLSLTPGYMV-DTORHVGOSA-N 1 2 318.204 3.430 20 5 DGBDLO Cc1c(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001473802200 1183803615 /nfs/dbraw/zinc/80/36/15/1183803615.db2.gz WGPBEDOSFWHOHA-LBPRGKRZSA-N 1 2 320.336 3.383 20 5 DGBDLO Cc1c(C[N@H+]2CCS[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001473802200 1183803619 /nfs/dbraw/zinc/80/36/19/1183803619.db2.gz WGPBEDOSFWHOHA-LBPRGKRZSA-N 1 2 320.336 3.383 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001519584200 1186883081 /nfs/dbraw/zinc/88/30/81/1186883081.db2.gz QLWOPFHEDNFVPN-UHFFFAOYSA-N 1 2 317.345 3.000 20 5 DGBDLO C[C@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001535809706 1187978279 /nfs/dbraw/zinc/97/82/79/1187978279.db2.gz LNVAGHNJDWRRMP-WCQYABFASA-N 1 2 315.329 3.126 20 5 DGBDLO CSc1ccc(C(=O)Nc2c(C)c[nH+]cc2C)cc1[N+](=O)[O-] ZINC001616246714 1193533865 /nfs/dbraw/zinc/53/38/65/1193533865.db2.gz MVVLEHMLLAFXOV-UHFFFAOYSA-N 1 2 317.370 3.003 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001537609332 1188085768 /nfs/dbraw/zinc/08/57/68/1188085768.db2.gz GJAQZJJLYUGTKU-UHFFFAOYSA-N 1 2 317.370 3.003 20 5 DGBDLO CCCn1c[nH+]cc1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001621130228 1193805694 /nfs/dbraw/zinc/80/56/94/1193805694.db2.gz ROGGNXNYJLDEFD-UHFFFAOYSA-N 1 2 322.796 3.487 20 5 DGBDLO Cc1cc(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001625177668 1194036479 /nfs/dbraw/zinc/03/64/79/1194036479.db2.gz RUQHLWKTEZPYLK-UHFFFAOYSA-N 1 2 318.308 3.067 20 5 DGBDLO CC[N@@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC001642448620 1194912048 /nfs/dbraw/zinc/91/20/48/1194912048.db2.gz BJLDDHHFYJLSAF-SECBINFHSA-N 1 2 318.204 3.432 20 5 DGBDLO CC[N@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC001642448620 1194912050 /nfs/dbraw/zinc/91/20/50/1194912050.db2.gz BJLDDHHFYJLSAF-SECBINFHSA-N 1 2 318.204 3.432 20 5 DGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)c1ccccc1F ZINC001643057571 1194963878 /nfs/dbraw/zinc/96/38/78/1194963878.db2.gz YNPRDSZDTCJKFK-UHFFFAOYSA-N 1 2 316.332 3.091 20 5 DGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)c1ccccc1F ZINC001643057571 1194963883 /nfs/dbraw/zinc/96/38/83/1194963883.db2.gz YNPRDSZDTCJKFK-UHFFFAOYSA-N 1 2 316.332 3.091 20 5 DGBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC001648225584 1195284437 /nfs/dbraw/zinc/28/44/37/1195284437.db2.gz WKUWMLVOUDMALD-JTQLQIEISA-N 1 2 319.292 3.493 20 5 DGBDLO C[C@H](COCC1CCCCC1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC001648384128 1195296454 /nfs/dbraw/zinc/29/64/54/1195296454.db2.gz FHLXJZDQRYRSPF-CYBMUJFWSA-N 1 2 322.405 3.375 20 5 DGBDLO CCc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(CC)[nH+]1 ZINC001650999418 1195402568 /nfs/dbraw/zinc/40/25/68/1195402568.db2.gz HZFANWNQXPEVSR-UHFFFAOYSA-N 1 2 314.389 3.189 20 5 DGBDLO Cc1nc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)ccc1[N+](=O)[O-] ZINC001652159197 1195555442 /nfs/dbraw/zinc/55/54/42/1195555442.db2.gz DAAHKCYRAUMVRB-HNNXBMFYSA-N 1 2 323.356 3.348 20 5 DGBDLO CNc1cc(CNc2ccc3ncccc3c2[N+](=O)[O-])cc[nH+]1 ZINC001652254723 1195570790 /nfs/dbraw/zinc/57/07/90/1195570790.db2.gz GNJBNERFXUBOJA-UHFFFAOYSA-N 1 2 309.329 3.192 20 5 DGBDLO O=C(C[N@@H+]1C[C@H]2CCCC[C@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001654965537 1195859526 /nfs/dbraw/zinc/85/95/26/1195859526.db2.gz VSRZBDMZCGQKQR-ZWNOBZJWSA-N 1 2 323.780 3.061 20 5 DGBDLO O=C(C[N@H+]1C[C@H]2CCCC[C@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001654965537 1195859529 /nfs/dbraw/zinc/85/95/29/1195859529.db2.gz VSRZBDMZCGQKQR-ZWNOBZJWSA-N 1 2 323.780 3.061 20 5 DGBDLO O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170829583 1203838894 /nfs/dbraw/zinc/83/88/94/1203838894.db2.gz PWDYPBPRABEOKM-UHFFFAOYSA-N 1 2 323.308 3.138 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)ccn12 ZINC001625849811 1081733561 /nfs/dbraw/zinc/73/35/61/1081733561.db2.gz WPGXIZVAQKYOME-GFCCVEGCSA-N 1 2 324.340 3.042 20 5 DGBDLO Cc1cccn2c([C@H](C)Nc3ccc([N+](=O)[O-])c(C)n3)c[nH+]c12 ZINC001160683659 1088917395 /nfs/dbraw/zinc/91/73/95/1088917395.db2.gz RKAJJMKLUCAPNU-LBPRGKRZSA-N 1 2 311.345 3.427 20 5 DGBDLO Cc1cc(NCc2cc[nH+]c(N)c2)nc2ccc([N+](=O)[O-])cc12 ZINC001156756157 1089680193 /nfs/dbraw/zinc/68/01/93/1089680193.db2.gz PTMVRGSJWGOJAI-UHFFFAOYSA-N 1 2 309.329 3.041 20 5 DGBDLO Cc1nc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC001156776263 1089688976 /nfs/dbraw/zinc/68/89/76/1089688976.db2.gz ZUAISBAJUKBZPJ-UHFFFAOYSA-N 1 2 323.356 3.120 20 5 DGBDLO CCNc1ccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c[nH+]1 ZINC001164392708 1090419085 /nfs/dbraw/zinc/41/90/85/1090419085.db2.gz AEVIHXGMVLQKHH-UHFFFAOYSA-N 1 2 310.317 3.108 20 5 DGBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1-n1cc[nH+]c1 ZINC001292866177 1091189990 /nfs/dbraw/zinc/18/99/90/1091189990.db2.gz ZLCOZUAVOOUCLN-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO CCc1onc(C)c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119932642 1094312764 /nfs/dbraw/zinc/31/27/64/1094312764.db2.gz YRMDQMQDJYJZKA-UHFFFAOYSA-N 1 2 301.346 3.012 20 5 DGBDLO CCc1onc(C)c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119932642 1094312778 /nfs/dbraw/zinc/31/27/78/1094312778.db2.gz YRMDQMQDJYJZKA-UHFFFAOYSA-N 1 2 301.346 3.012 20 5 DGBDLO FC1(F)C[NH2+]CC[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218005121 1094554312 /nfs/dbraw/zinc/55/43/12/1094554312.db2.gz FDRLWKBHXJZYDR-MRXNPFEDSA-N 1 2 315.323 3.159 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001336934064 1094786277 /nfs/dbraw/zinc/78/62/77/1094786277.db2.gz RKGMKTXBOVUVSV-UHFFFAOYSA-N 1 2 324.743 3.494 20 5 DGBDLO CCOc1cc(C[N@@H+]2C[C@H](CC)OC[C@H]2CC)ccc1[N+](=O)[O-] ZINC001171777707 1096970073 /nfs/dbraw/zinc/97/00/73/1096970073.db2.gz DCSCANQBNRIUGC-CABCVRRESA-N 1 2 322.405 3.383 20 5 DGBDLO CCOc1cc(C[N@H+]2C[C@H](CC)OC[C@H]2CC)ccc1[N+](=O)[O-] ZINC001171777707 1096970078 /nfs/dbraw/zinc/97/00/78/1096970078.db2.gz DCSCANQBNRIUGC-CABCVRRESA-N 1 2 322.405 3.383 20 5 DGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(F)(F)c1ccccn1 ZINC001173218264 1097369763 /nfs/dbraw/zinc/36/97/63/1097369763.db2.gz JQGUGUBFMIPHSZ-LBPRGKRZSA-N 1 2 321.327 3.302 20 5 DGBDLO Cc1c(C)c([N+](=O)[O-])ccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001229883836 1097405065 /nfs/dbraw/zinc/40/50/65/1097405065.db2.gz YFBKJPQLPSVQDO-UHFFFAOYSA-N 1 2 312.369 3.475 20 5 DGBDLO CCc1cn(Cc2ccc(Br)c([N+](=O)[O-])c2)c[nH+]1 ZINC001190105074 1100198992 /nfs/dbraw/zinc/19/89/92/1100198992.db2.gz YZEUQXLIMWDKMW-UHFFFAOYSA-N 1 2 310.151 3.165 20 5 DGBDLO Nc1ccc(Nc2cc3nc4ccccc4nc3cc2N)c[nH+]1 ZINC001201286962 1102535942 /nfs/dbraw/zinc/53/59/42/1102535942.db2.gz KOITZKHFQSSADQ-UHFFFAOYSA-N 1 2 302.341 3.086 20 5 DGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC001325970246 1103175220 /nfs/dbraw/zinc/17/52/20/1103175220.db2.gz CFJJBUZZVBQPLB-UHFFFAOYSA-N 1 2 316.361 3.041 20 5 DGBDLO Cc1[nH+]ccn1CCCSCc1cc(O)ccc1[N+](=O)[O-] ZINC001326715326 1103416534 /nfs/dbraw/zinc/41/65/34/1103416534.db2.gz JUBGWCXTFFDPNB-UHFFFAOYSA-N 1 2 307.375 3.129 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)c1cc3ccccc3o1)C2 ZINC001261236888 1107367842 /nfs/dbraw/zinc/36/78/42/1107367842.db2.gz AIELBQXPYKBHBE-MRXNPFEDSA-N 1 2 324.336 3.390 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)c1cc3ccccc3o1)C2 ZINC001261236888 1107367854 /nfs/dbraw/zinc/36/78/54/1107367854.db2.gz AIELBQXPYKBHBE-MRXNPFEDSA-N 1 2 324.336 3.390 20 5 DGBDLO Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(C(C)C)[nH+]1 ZINC000315461569 231140270 /nfs/dbraw/zinc/14/02/70/231140270.db2.gz PYBMMGJOYAQOJP-UHFFFAOYSA-N 1 2 300.362 3.471 20 5 DGBDLO O=[N+]([O-])c1ccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000092917956 185348938 /nfs/dbraw/zinc/34/89/38/185348938.db2.gz VQHWYNKECUVDCT-UHFFFAOYSA-N 1 2 322.246 3.407 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000179865156 432072638 /nfs/dbraw/zinc/07/26/38/432072638.db2.gz VJZOMVNVBYYYAC-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000179865156 432072639 /nfs/dbraw/zinc/07/26/39/432072639.db2.gz VJZOMVNVBYYYAC-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134078789 432073205 /nfs/dbraw/zinc/07/32/05/432073205.db2.gz CKFIQZOSFDGMLQ-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000134078789 432073206 /nfs/dbraw/zinc/07/32/06/432073206.db2.gz CKFIQZOSFDGMLQ-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179861993 199089176 /nfs/dbraw/zinc/08/91/76/199089176.db2.gz SSFKTZQPHIDCQJ-GFCCVEGCSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179861993 199089177 /nfs/dbraw/zinc/08/91/77/199089177.db2.gz SSFKTZQPHIDCQJ-GFCCVEGCSA-N 1 2 302.330 3.076 20 5 DGBDLO O=[N+]([O-])c1cccc2c(NCCCNc3cccc[nH+]3)ccnc21 ZINC000432317025 238124885 /nfs/dbraw/zinc/12/48/85/238124885.db2.gz DDWUAZHOJPVUAM-UHFFFAOYSA-N 1 2 323.356 3.452 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000441164206 239015506 /nfs/dbraw/zinc/01/55/06/239015506.db2.gz GTQMOGBLQAWPRW-WBMJQRKESA-N 1 2 302.330 3.322 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000441164206 239015512 /nfs/dbraw/zinc/01/55/12/239015512.db2.gz GTQMOGBLQAWPRW-WBMJQRKESA-N 1 2 302.330 3.322 20 5 DGBDLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451547667 241169197 /nfs/dbraw/zinc/16/91/97/241169197.db2.gz LLLMIBDKYFEUSJ-BXUZGUMPSA-N 1 2 316.361 3.227 20 5 DGBDLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451547667 241169202 /nfs/dbraw/zinc/16/92/02/241169202.db2.gz LLLMIBDKYFEUSJ-BXUZGUMPSA-N 1 2 316.361 3.227 20 5 DGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CO)CC(C)(C)C ZINC000451789609 241236208 /nfs/dbraw/zinc/23/62/08/241236208.db2.gz MOBACJMDASJTHY-NSHDSACASA-N 1 2 316.348 3.102 20 5 DGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CO)CC(C)(C)C ZINC000451789609 241236217 /nfs/dbraw/zinc/23/62/17/241236217.db2.gz MOBACJMDASJTHY-NSHDSACASA-N 1 2 316.348 3.102 20 5 DGBDLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451965856 241286384 /nfs/dbraw/zinc/28/63/84/241286384.db2.gz DIZACYMSKVMNDR-AWEZNQCLSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451965856 241286387 /nfs/dbraw/zinc/28/63/87/241286387.db2.gz DIZACYMSKVMNDR-AWEZNQCLSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1nc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000471621747 244221716 /nfs/dbraw/zinc/22/17/16/244221716.db2.gz WXUVSPVBWSPQTB-UHFFFAOYSA-N 1 2 313.361 3.427 20 5 DGBDLO COC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000119858536 284154091 /nfs/dbraw/zinc/15/40/91/284154091.db2.gz NWNRSYLQYATNSK-LBPRGKRZSA-N 1 2 310.737 3.319 20 5 DGBDLO CC(C)(C)n1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000093338420 193234194 /nfs/dbraw/zinc/23/41/94/193234194.db2.gz XPIFOKHNNITNLV-UHFFFAOYSA-N 1 2 314.389 3.105 20 5 DGBDLO CC(C)(C)n1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000093338420 193234196 /nfs/dbraw/zinc/23/41/96/193234196.db2.gz XPIFOKHNNITNLV-UHFFFAOYSA-N 1 2 314.389 3.105 20 5 DGBDLO CC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000282678734 217170278 /nfs/dbraw/zinc/17/02/78/217170278.db2.gz JPPLNDJFECTKSI-AWEZNQCLSA-N 1 2 317.393 3.182 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000495069695 246229342 /nfs/dbraw/zinc/22/93/42/246229342.db2.gz MXOVKFZNPGQFGB-OAHLLOKOSA-N 1 2 315.377 3.124 20 5 DGBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284215381 296241579 /nfs/dbraw/zinc/24/15/79/296241579.db2.gz TZYRZKWIEMZWDJ-NSHDSACASA-N 1 2 316.317 3.091 20 5 DGBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284215381 296241582 /nfs/dbraw/zinc/24/15/82/296241582.db2.gz TZYRZKWIEMZWDJ-NSHDSACASA-N 1 2 316.317 3.091 20 5 DGBDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000105895895 194161982 /nfs/dbraw/zinc/16/19/82/194161982.db2.gz DXPDZTFSMKQQKA-ZDUSSCGKSA-N 1 2 320.418 3.344 20 5 DGBDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000105895895 194161984 /nfs/dbraw/zinc/16/19/84/194161984.db2.gz DXPDZTFSMKQQKA-ZDUSSCGKSA-N 1 2 320.418 3.344 20 5 DGBDLO CC(C)(C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000109522369 194270970 /nfs/dbraw/zinc/27/09/70/194270970.db2.gz IZPMKFZEEBPAFM-UHFFFAOYSA-N 1 2 313.317 3.128 20 5 DGBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc[nH+]c2ccncc21 ZINC000343234119 254118409 /nfs/dbraw/zinc/11/84/09/254118409.db2.gz KREMUHCADOBEDQ-UHFFFAOYSA-N 1 2 308.341 3.217 20 5 DGBDLO CC(=O)c1ccc(N[C@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])c1 ZINC000343275287 254122919 /nfs/dbraw/zinc/12/29/19/254122919.db2.gz SVLIQKIEOSDIFZ-HNNXBMFYSA-N 1 2 314.345 3.094 20 5 DGBDLO Cc1nn(C(C)C)cc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343543306 254158560 /nfs/dbraw/zinc/15/85/60/254158560.db2.gz YFOMUWQOXBBMIX-UHFFFAOYSA-N 1 2 314.389 3.239 20 5 DGBDLO Cc1nn(C(C)C)cc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343543306 254158561 /nfs/dbraw/zinc/15/85/61/254158561.db2.gz YFOMUWQOXBBMIX-UHFFFAOYSA-N 1 2 314.389 3.239 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000344412133 254268085 /nfs/dbraw/zinc/26/80/85/254268085.db2.gz DPRVMJUXWBQOQP-UHFFFAOYSA-N 1 2 311.345 3.150 20 5 DGBDLO Cc1ccc([C@@H](C)NC(=O)Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000120451687 195168620 /nfs/dbraw/zinc/16/86/20/195168620.db2.gz OQLWRADFDSVSRX-GFCCVEGCSA-N 1 2 314.345 3.489 20 5 DGBDLO Cc1cc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c(F)cc1[N+](=O)[O-] ZINC000296392823 291930377 /nfs/dbraw/zinc/93/03/77/291930377.db2.gz VARLADXGLXSFID-AWEZNQCLSA-N 1 2 318.352 3.363 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000007846861 400111367 /nfs/dbraw/zinc/11/13/67/400111367.db2.gz FLUIHFZXAOFCKY-UHFFFAOYSA-N 1 2 319.386 3.035 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000007846861 400111372 /nfs/dbraw/zinc/11/13/72/400111372.db2.gz FLUIHFZXAOFCKY-UHFFFAOYSA-N 1 2 319.386 3.035 20 5 DGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000016442284 400172491 /nfs/dbraw/zinc/17/24/91/400172491.db2.gz QNAQJLRZAQJMKK-JTQLQIEISA-N 1 2 311.769 3.061 20 5 DGBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000595293897 400120700 /nfs/dbraw/zinc/12/07/00/400120700.db2.gz UHTSZTCFRQQFMC-CYBMUJFWSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000595293897 400120707 /nfs/dbraw/zinc/12/07/07/400120707.db2.gz UHTSZTCFRQQFMC-CYBMUJFWSA-N 1 2 305.309 3.367 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000595409723 400142288 /nfs/dbraw/zinc/14/22/88/400142288.db2.gz ZTORLPOHFTYFFB-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000595409723 400142297 /nfs/dbraw/zinc/14/22/97/400142297.db2.gz ZTORLPOHFTYFFB-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO Cc1noc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1[N+](=O)[O-] ZINC000595417971 400142857 /nfs/dbraw/zinc/14/28/57/400142857.db2.gz MBEZYHLNOZOVJG-UHFFFAOYSA-N 1 2 323.299 3.338 20 5 DGBDLO CCc1ccc(C(C)(C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595416803 400143011 /nfs/dbraw/zinc/14/30/11/400143011.db2.gz DKFIIPAMCSABEZ-UHFFFAOYSA-N 1 2 303.362 3.479 20 5 DGBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)c1[N+](=O)[O-] ZINC000595446338 400153634 /nfs/dbraw/zinc/15/36/34/400153634.db2.gz CFDYBGDTUXEOSJ-QMMMGPOBSA-N 1 2 318.358 3.352 20 5 DGBDLO Cc1noc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000595458696 400157861 /nfs/dbraw/zinc/15/78/61/400157861.db2.gz KCAQQHMKNXKOOY-UHFFFAOYSA-N 1 2 313.716 3.316 20 5 DGBDLO Cc1noc(C[N@H+](C)Cc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000595458696 400157862 /nfs/dbraw/zinc/15/78/62/400157862.db2.gz KCAQQHMKNXKOOY-UHFFFAOYSA-N 1 2 313.716 3.316 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000015548900 400167551 /nfs/dbraw/zinc/16/75/51/400167551.db2.gz JEYLSTOYIWRNHD-CYBMUJFWSA-N 1 2 313.357 3.226 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000015548900 400167556 /nfs/dbraw/zinc/16/75/56/400167556.db2.gz JEYLSTOYIWRNHD-CYBMUJFWSA-N 1 2 313.357 3.226 20 5 DGBDLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000595866498 400283598 /nfs/dbraw/zinc/28/35/98/400283598.db2.gz HZYALEILNXLSPB-ZUZCIYMTSA-N 1 2 322.311 3.257 20 5 DGBDLO Cc1cccc2[nH+]c(CNc3ccc(F)cc3[N+](=O)[O-])cn21 ZINC000068772311 400286755 /nfs/dbraw/zinc/28/67/55/400286755.db2.gz BQGLTTZZZKVJIJ-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cccs2)c1 ZINC000589494420 400300784 /nfs/dbraw/zinc/30/07/84/400300784.db2.gz JIUYKGGWOKKIQH-UHFFFAOYSA-N 1 2 320.370 3.075 20 5 DGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cccs2)c1 ZINC000589494420 400300790 /nfs/dbraw/zinc/30/07/90/400300790.db2.gz JIUYKGGWOKKIQH-UHFFFAOYSA-N 1 2 320.370 3.075 20 5 DGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccsc2)c1 ZINC000589495324 400301059 /nfs/dbraw/zinc/30/10/59/400301059.db2.gz OJXONDUARFDTLR-UHFFFAOYSA-N 1 2 320.370 3.075 20 5 DGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccsc2)c1 ZINC000589495324 400301065 /nfs/dbraw/zinc/30/10/65/400301065.db2.gz OJXONDUARFDTLR-UHFFFAOYSA-N 1 2 320.370 3.075 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595786294 400259727 /nfs/dbraw/zinc/25/97/27/400259727.db2.gz HMCMADRIJILGCG-SUMWQHHRSA-N 1 2 320.389 3.082 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595786294 400259729 /nfs/dbraw/zinc/25/97/29/400259729.db2.gz HMCMADRIJILGCG-SUMWQHHRSA-N 1 2 320.389 3.082 20 5 DGBDLO Cc1cc(N2CC[C@H]3C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596511529 400434051 /nfs/dbraw/zinc/43/40/51/400434051.db2.gz QBIJFJRFTINCAY-KBPBESRZSA-N 1 2 310.357 3.206 20 5 DGBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000611606686 400428498 /nfs/dbraw/zinc/42/84/98/400428498.db2.gz LXTSCOKQAIFRHL-DYLHUKMJSA-N 1 2 318.373 3.026 20 5 DGBDLO COC(=O)[C@@H]1CCCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000611606686 400428499 /nfs/dbraw/zinc/42/84/99/400428499.db2.gz LXTSCOKQAIFRHL-DYLHUKMJSA-N 1 2 318.373 3.026 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])CCC2 ZINC000611617291 400429033 /nfs/dbraw/zinc/42/90/33/400429033.db2.gz DDUZMKPKSKJDIG-CYBMUJFWSA-N 1 2 315.377 3.101 20 5 DGBDLO C[N@H+](CCOC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611790176 400453705 /nfs/dbraw/zinc/45/37/05/400453705.db2.gz KBDFLPNFCXUSAM-UHFFFAOYSA-N 1 2 300.786 3.495 20 5 DGBDLO C[N@@H+](CCOC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611790176 400453711 /nfs/dbraw/zinc/45/37/11/400453711.db2.gz KBDFLPNFCXUSAM-UHFFFAOYSA-N 1 2 300.786 3.495 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC4(C3)CC(F)(F)C4)c2c1 ZINC000591160114 400495614 /nfs/dbraw/zinc/49/56/14/400495614.db2.gz OZQFTNWUBILMIO-UHFFFAOYSA-N 1 2 305.284 3.379 20 5 DGBDLO Cc1nocc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602677257 400535201 /nfs/dbraw/zinc/53/52/01/400535201.db2.gz WWJKSKWHYHBMFB-UHFFFAOYSA-N 1 2 315.251 3.200 20 5 DGBDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000597258228 400601761 /nfs/dbraw/zinc/60/17/61/400601761.db2.gz ZCJZMKQZMIWXHM-NHYWBVRUSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000597258228 400601764 /nfs/dbraw/zinc/60/17/64/400601764.db2.gz ZCJZMKQZMIWXHM-NHYWBVRUSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1csc(N(C)C)n1 ZINC000157093577 400714620 /nfs/dbraw/zinc/71/46/20/400714620.db2.gz JJRSBVCBRYNBJT-LLVKDONJSA-N 1 2 320.418 3.277 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2csc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000157076316 400714816 /nfs/dbraw/zinc/71/48/16/400714816.db2.gz MMRYUQXWAPUZMI-NSHDSACASA-N 1 2 320.418 3.277 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000078269120 400782938 /nfs/dbraw/zinc/78/29/38/400782938.db2.gz PWUBDLUGSPNYNR-UHFFFAOYSA-N 1 2 308.341 3.452 20 5 DGBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)S1 ZINC000599050093 400939861 /nfs/dbraw/zinc/93/98/61/400939861.db2.gz VRUQAJTUJIWEJR-PHIMTYICSA-N 1 2 303.387 3.473 20 5 DGBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)S1 ZINC000599050094 400940445 /nfs/dbraw/zinc/94/04/45/400940445.db2.gz VRUQAJTUJIWEJR-QWRGUYRKSA-N 1 2 303.387 3.473 20 5 DGBDLO O=[N+]([O-])c1c(NCC2(CCO)CCC2)ccc2c[nH+]ccc21 ZINC000599056186 400941886 /nfs/dbraw/zinc/94/18/86/400941886.db2.gz LJQUVPKILIJNQG-UHFFFAOYSA-N 1 2 301.346 3.108 20 5 DGBDLO C[C@]1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCC[C@H]1O ZINC000599055098 400941940 /nfs/dbraw/zinc/94/19/40/400941940.db2.gz NAIHGPLLRGCXMI-NVXWUHKLSA-N 1 2 315.373 3.496 20 5 DGBDLO CN(C[C@@H]1CCCC[C@@H]1O)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599066742 400946425 /nfs/dbraw/zinc/94/64/25/400946425.db2.gz UITXXOQICCHHCJ-BBRMVZONSA-N 1 2 315.373 3.130 20 5 DGBDLO O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H]2CCO)ccc2c[nH+]ccc21 ZINC000599069498 400948220 /nfs/dbraw/zinc/94/82/20/400948220.db2.gz GQMFLSUFWANBFM-BXUZGUMPSA-N 1 2 301.346 3.106 20 5 DGBDLO C[C@@H]1C[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@H](C)O1 ZINC000599086658 400955405 /nfs/dbraw/zinc/95/54/05/400955405.db2.gz RMNGEVSOTGERHE-MDZLAQPJSA-N 1 2 301.346 3.368 20 5 DGBDLO CC[C@@]1(CO)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599071859 400949805 /nfs/dbraw/zinc/94/98/05/400949805.db2.gz UVMPTSKNSJGKDJ-QGZVFWFLSA-N 1 2 315.373 3.132 20 5 DGBDLO Cc1n[nH]cc1CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599021863 400929467 /nfs/dbraw/zinc/92/94/67/400929467.db2.gz DTLUKCMGGJCEKK-UHFFFAOYSA-N 1 2 311.345 3.219 20 5 DGBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000599099635 400960703 /nfs/dbraw/zinc/96/07/03/400960703.db2.gz HMGWQKVDKYBGCJ-NSHDSACASA-N 1 2 318.764 3.341 20 5 DGBDLO C[C@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)C1(F)F ZINC000599513685 401064593 /nfs/dbraw/zinc/06/45/93/401064593.db2.gz CNDHQACNCACRIT-UWVGGRQHSA-N 1 2 324.331 3.194 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCCc2[nH+]cc(C)cc2C)c1 ZINC000594594939 401122007 /nfs/dbraw/zinc/12/20/07/401122007.db2.gz BYWBKGMTVGXQNM-UHFFFAOYSA-N 1 2 301.346 3.270 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCNc1ccsc1[N+](=O)[O-] ZINC000063256465 401185111 /nfs/dbraw/zinc/18/51/11/401185111.db2.gz FRNIKFPVOXXTSN-UHFFFAOYSA-N 1 2 302.359 3.427 20 5 DGBDLO COc1cccc(NC[C@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000364916145 287075160 /nfs/dbraw/zinc/07/51/60/287075160.db2.gz OXAJZQDYADOQMR-GFCCVEGCSA-N 1 2 316.361 3.098 20 5 DGBDLO Cc1c(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cccc1[N+](=O)[O-] ZINC000193863805 165333560 /nfs/dbraw/zinc/33/35/60/165333560.db2.gz HKCAORCSBVTRFH-AWEZNQCLSA-N 1 2 300.362 3.006 20 5 DGBDLO Cc1c(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cccc1[N+](=O)[O-] ZINC000193863805 165333563 /nfs/dbraw/zinc/33/35/63/165333563.db2.gz HKCAORCSBVTRFH-AWEZNQCLSA-N 1 2 300.362 3.006 20 5 DGBDLO C[C@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130785577 196110232 /nfs/dbraw/zinc/11/02/32/196110232.db2.gz AHQBRJIGZHGKNR-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130785577 196110235 /nfs/dbraw/zinc/11/02/35/196110235.db2.gz AHQBRJIGZHGKNR-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000247310462 432222339 /nfs/dbraw/zinc/22/23/39/432222339.db2.gz IHGUYDNFORKMEE-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000247310462 432222342 /nfs/dbraw/zinc/22/23/42/432222342.db2.gz IHGUYDNFORKMEE-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000134012988 196353540 /nfs/dbraw/zinc/35/35/40/196353540.db2.gz HZCQCUYUIREKMK-SWLSCSKDSA-N 1 2 300.362 3.187 20 5 DGBDLO COc1ccc2[nH+]c(C)nc(NCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000301976408 230016805 /nfs/dbraw/zinc/01/68/05/230016805.db2.gz WEVLLHKEBKSLBA-UHFFFAOYSA-N 1 2 324.340 3.467 20 5 DGBDLO C[C@H]1C[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413215335 230156905 /nfs/dbraw/zinc/15/69/05/230156905.db2.gz ABIWVKBCWOPQKQ-NWDGAFQWSA-N 1 2 301.346 3.370 20 5 DGBDLO COC[C@@H]1CCCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413231887 230160921 /nfs/dbraw/zinc/16/09/21/230160921.db2.gz MLNWYFDCBPFFMI-CYBMUJFWSA-N 1 2 315.373 3.396 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)N(Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000348260363 264377304 /nfs/dbraw/zinc/37/73/04/264377304.db2.gz JPBMCAFQGWMMBB-UHFFFAOYSA-N 1 2 320.352 3.343 20 5 DGBDLO CCc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000348341836 264393488 /nfs/dbraw/zinc/39/34/88/264393488.db2.gz AEAYSSBMMAMJSR-UHFFFAOYSA-N 1 2 310.313 3.057 20 5 DGBDLO C[N@H+](Cc1ccoc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352641601 265113793 /nfs/dbraw/zinc/11/37/93/265113793.db2.gz CJFGYXMDSMTRIW-UHFFFAOYSA-N 1 2 312.272 3.421 20 5 DGBDLO C[N@@H+](Cc1ccoc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352641601 265113795 /nfs/dbraw/zinc/11/37/95/265113795.db2.gz CJFGYXMDSMTRIW-UHFFFAOYSA-N 1 2 312.272 3.421 20 5 DGBDLO CCc1nnc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000353565025 265469538 /nfs/dbraw/zinc/46/95/38/265469538.db2.gz WRPMBHYRLZPSSU-ZDUSSCGKSA-N 1 2 318.402 3.176 20 5 DGBDLO Cc1ccc(Cc2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)c[nH+]1 ZINC000356110327 266286199 /nfs/dbraw/zinc/28/61/99/266286199.db2.gz MJFIQHUJOVNHQD-HJWRWDBZSA-N 1 2 322.324 3.442 20 5 DGBDLO Cc1ccc(Cc2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000356109555 266286454 /nfs/dbraw/zinc/28/64/54/266286454.db2.gz AGIGAPGAENSZPO-UHFFFAOYSA-N 1 2 310.313 3.247 20 5 DGBDLO Cc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)c[nH+]1 ZINC000356125985 266291692 /nfs/dbraw/zinc/29/16/92/266291692.db2.gz LYHONWAUYRXJJS-UHFFFAOYSA-N 1 2 310.313 3.247 20 5 DGBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852637270 620636565 /nfs/dbraw/zinc/63/65/65/620636565.db2.gz UAOCPYABDVOYTI-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852637270 620636569 /nfs/dbraw/zinc/63/65/69/620636569.db2.gz UAOCPYABDVOYTI-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)c2nccn21 ZINC000413314249 274395040 /nfs/dbraw/zinc/39/50/40/274395040.db2.gz IYTKXOUXLMSTBU-QMTHXVAHSA-N 1 2 309.329 3.457 20 5 DGBDLO COc1cc(C[N@H+](C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])cc1F ZINC000184288332 432374375 /nfs/dbraw/zinc/37/43/75/432374375.db2.gz ALFHRVZRTLMWAB-NSHDSACASA-N 1 2 319.336 3.331 20 5 DGBDLO COc1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])cc1F ZINC000184288332 432374379 /nfs/dbraw/zinc/37/43/79/432374379.db2.gz ALFHRVZRTLMWAB-NSHDSACASA-N 1 2 319.336 3.331 20 5 DGBDLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000271428782 432393687 /nfs/dbraw/zinc/39/36/87/432393687.db2.gz DHUNYVLJRBCWJH-BONVTDFDSA-N 1 2 322.311 3.257 20 5 DGBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1 ZINC000153494706 432412792 /nfs/dbraw/zinc/41/27/92/432412792.db2.gz PFXVPQAABJHXJQ-NSHDSACASA-N 1 2 319.386 3.187 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1 ZINC000153494706 432412797 /nfs/dbraw/zinc/41/27/97/432412797.db2.gz PFXVPQAABJHXJQ-NSHDSACASA-N 1 2 319.386 3.187 20 5 DGBDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271518786 432413323 /nfs/dbraw/zinc/41/33/23/432413323.db2.gz OAKXUBAYGYDJIU-GHMZBOCLSA-N 1 2 303.366 3.248 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccco2)CC1 ZINC000266539618 432762362 /nfs/dbraw/zinc/76/23/62/432762362.db2.gz PFMKIYRCAFKLFS-AWEZNQCLSA-N 1 2 315.373 3.067 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccco2)CC1 ZINC000266539618 432762363 /nfs/dbraw/zinc/76/23/63/432762363.db2.gz PFMKIYRCAFKLFS-AWEZNQCLSA-N 1 2 315.373 3.067 20 5 DGBDLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000178687988 432767183 /nfs/dbraw/zinc/76/71/83/432767183.db2.gz DJIRZTPMFKNUNP-WDEREUQCSA-N 1 2 304.350 3.260 20 5 DGBDLO CC(C)Cn1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000341125198 432968093 /nfs/dbraw/zinc/96/80/93/432968093.db2.gz BRGKJSBPLWXCJU-UHFFFAOYSA-N 1 2 314.389 3.006 20 5 DGBDLO CC(C)Cn1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000341125198 432968098 /nfs/dbraw/zinc/96/80/98/432968098.db2.gz BRGKJSBPLWXCJU-UHFFFAOYSA-N 1 2 314.389 3.006 20 5 DGBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1(F)F ZINC000289650620 432970441 /nfs/dbraw/zinc/97/04/41/432970441.db2.gz DTPXDTFKNMFFBK-QMMMGPOBSA-N 1 2 306.259 3.350 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1(F)F ZINC000289650620 432970449 /nfs/dbraw/zinc/97/04/49/432970449.db2.gz DTPXDTFKNMFFBK-QMMMGPOBSA-N 1 2 306.259 3.350 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000332195565 432984762 /nfs/dbraw/zinc/98/47/62/432984762.db2.gz DJXZCMHHFXTNCV-ZBFHGGJFSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000332195565 432984766 /nfs/dbraw/zinc/98/47/66/432984766.db2.gz DJXZCMHHFXTNCV-ZBFHGGJFSA-N 1 2 320.389 3.137 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332216543 432985342 /nfs/dbraw/zinc/98/53/42/432985342.db2.gz IRQMXCBFUCAGRV-WHEQGISXSA-N 1 2 324.446 3.197 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332216543 432985346 /nfs/dbraw/zinc/98/53/46/432985346.db2.gz IRQMXCBFUCAGRV-WHEQGISXSA-N 1 2 324.446 3.197 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000349839191 433020481 /nfs/dbraw/zinc/02/04/81/433020481.db2.gz YRSHFOJIUBJSGQ-WDEREUQCSA-N 1 2 305.334 3.393 20 5 DGBDLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000425597796 433314947 /nfs/dbraw/zinc/31/49/47/433314947.db2.gz ULYQBDAXEQCQAQ-SNVBAGLBSA-N 1 2 317.320 3.488 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cc[nH+]c2C)c1 ZINC000425596248 433313158 /nfs/dbraw/zinc/31/31/58/433313158.db2.gz MOLBVRDCKMLBFE-UHFFFAOYSA-N 1 2 315.329 3.258 20 5 DGBDLO C[N@H+](Cc1cccc2[nH]ccc21)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339124084 433374602 /nfs/dbraw/zinc/37/46/02/433374602.db2.gz KAXFNCUMHTVKND-UHFFFAOYSA-N 1 2 311.341 3.414 20 5 DGBDLO C[N@@H+](Cc1cccc2[nH]ccc21)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339124084 433374615 /nfs/dbraw/zinc/37/46/15/433374615.db2.gz KAXFNCUMHTVKND-UHFFFAOYSA-N 1 2 311.341 3.414 20 5 DGBDLO Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(C)[nH+]1 ZINC000421102133 433431838 /nfs/dbraw/zinc/43/18/38/433431838.db2.gz VEECVALZQLSLMT-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO Cc1cc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421041079 433408754 /nfs/dbraw/zinc/40/87/54/433408754.db2.gz XCCNGNKESGFCGT-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO Cc1c[nH+]cc(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000426401592 433487396 /nfs/dbraw/zinc/48/73/96/433487396.db2.gz AJWCTLZOOIPJCZ-UHFFFAOYSA-N 1 2 310.313 3.133 20 5 DGBDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000414321128 433542393 /nfs/dbraw/zinc/54/23/93/433542393.db2.gz DNNKHUHDXKVJPN-SECBINFHSA-N 1 2 304.375 3.175 20 5 DGBDLO Cc1cc(NCCn2cccc2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301602130 433629962 /nfs/dbraw/zinc/62/99/62/433629962.db2.gz VZGXUJZECLJKAT-UHFFFAOYSA-N 1 2 323.356 3.274 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301626170 433645261 /nfs/dbraw/zinc/64/52/61/433645261.db2.gz GSKYSOMLCIVPCZ-CYBMUJFWSA-N 1 2 319.748 3.301 20 5 DGBDLO COC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000342321057 433616646 /nfs/dbraw/zinc/61/66/46/433616646.db2.gz GNHJVLCQQBTWTI-OAHLLOKOSA-N 1 2 322.311 3.350 20 5 DGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000362345939 433656254 /nfs/dbraw/zinc/65/62/54/433656254.db2.gz RBPOCASLLDJGRD-UHFFFAOYSA-N 1 2 310.313 3.057 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372991508 293247933 /nfs/dbraw/zinc/24/79/33/293247933.db2.gz UJARSTOFJCFJCR-CYBMUJFWSA-N 1 2 314.389 3.321 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000372991508 293247938 /nfs/dbraw/zinc/24/79/38/293247938.db2.gz UJARSTOFJCFJCR-CYBMUJFWSA-N 1 2 314.389 3.321 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000372991508 293247940 /nfs/dbraw/zinc/24/79/40/293247940.db2.gz UJARSTOFJCFJCR-CYBMUJFWSA-N 1 2 314.389 3.321 20 5 DGBDLO Cc1c(CN(C)Cc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000372997175 293248854 /nfs/dbraw/zinc/24/88/54/293248854.db2.gz MZUMBITTYIPZTK-UHFFFAOYSA-N 1 2 314.389 3.068 20 5 DGBDLO Cc1c(C[N@H+](C)Cc2cn3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000372997175 293248856 /nfs/dbraw/zinc/24/88/56/293248856.db2.gz MZUMBITTYIPZTK-UHFFFAOYSA-N 1 2 314.389 3.068 20 5 DGBDLO Cc1c(C[N@@H+](C)Cc2cn3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000372997175 293248860 /nfs/dbraw/zinc/24/88/60/293248860.db2.gz MZUMBITTYIPZTK-UHFFFAOYSA-N 1 2 314.389 3.068 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301773013 433717572 /nfs/dbraw/zinc/71/75/72/433717572.db2.gz MDDOWTYHTKSAQW-GFCCVEGCSA-N 1 2 318.764 3.334 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(C(F)F)CC2)c(F)c1 ZINC000351871870 433763926 /nfs/dbraw/zinc/76/39/26/433763926.db2.gz AOWQSBSMOGIQOU-UHFFFAOYSA-N 1 2 306.259 3.350 20 5 DGBDLO O=[N+]([O-])c1cccc(CCNc2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000340078007 433911370 /nfs/dbraw/zinc/91/13/70/433911370.db2.gz OFAKSEXLLADYFR-UHFFFAOYSA-N 1 2 311.263 3.663 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCc4occc4C3)nc2c1 ZINC000377597001 433924848 /nfs/dbraw/zinc/92/48/48/433924848.db2.gz FWWVMXFINPDHLX-UHFFFAOYSA-N 1 2 313.313 3.277 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCc4occc4C3)nc2c1 ZINC000377597001 433924858 /nfs/dbraw/zinc/92/48/58/433924858.db2.gz FWWVMXFINPDHLX-UHFFFAOYSA-N 1 2 313.313 3.277 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000377629422 433930466 /nfs/dbraw/zinc/93/04/66/433930466.db2.gz ROJSUSYHBSTSQB-OAHLLOKOSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000377629422 433930474 /nfs/dbraw/zinc/93/04/74/433930474.db2.gz ROJSUSYHBSTSQB-OAHLLOKOSA-N 1 2 300.362 3.354 20 5 DGBDLO CC(C)[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000352047072 433887335 /nfs/dbraw/zinc/88/73/35/433887335.db2.gz KITZIUYVSFHJNH-CQSZACIVSA-N 1 2 316.373 3.446 20 5 DGBDLO CC(C)[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000352047072 433887347 /nfs/dbraw/zinc/88/73/47/433887347.db2.gz KITZIUYVSFHJNH-CQSZACIVSA-N 1 2 316.373 3.446 20 5 DGBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)[S@]1=O ZINC000285417448 433942891 /nfs/dbraw/zinc/94/28/91/433942891.db2.gz BRLVCAXHJINBAE-WSVFGFOBSA-N 1 2 324.446 3.196 20 5 DGBDLO CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)[S@]1=O ZINC000285417448 433942896 /nfs/dbraw/zinc/94/28/96/433942896.db2.gz BRLVCAXHJINBAE-WSVFGFOBSA-N 1 2 324.446 3.196 20 5 DGBDLO CC(=O)c1ccc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000285464937 433956558 /nfs/dbraw/zinc/95/65/58/433956558.db2.gz BQXZZKQEYZVPOO-CQSZACIVSA-N 1 2 302.334 3.330 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294069134 433983591 /nfs/dbraw/zinc/98/35/91/433983591.db2.gz QKLWPPZEKGEYKM-KCILRPRFSA-N 1 2 314.385 3.251 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294069134 433983602 /nfs/dbraw/zinc/98/36/02/433983602.db2.gz QKLWPPZEKGEYKM-KCILRPRFSA-N 1 2 314.385 3.251 20 5 DGBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H](C)O1 ZINC000303458860 433940107 /nfs/dbraw/zinc/94/01/07/433940107.db2.gz KXWYADIXRMCZCT-CJNGLKHVSA-N 1 2 322.405 3.381 20 5 DGBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H](C)O1 ZINC000303458860 433940116 /nfs/dbraw/zinc/94/01/16/433940116.db2.gz KXWYADIXRMCZCT-CJNGLKHVSA-N 1 2 322.405 3.381 20 5 DGBDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000285881291 434095388 /nfs/dbraw/zinc/09/53/88/434095388.db2.gz ZNIKSBNGCHXFHH-CQSZACIVSA-N 1 2 302.334 3.013 20 5 DGBDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000285881291 434095399 /nfs/dbraw/zinc/09/53/99/434095399.db2.gz ZNIKSBNGCHXFHH-CQSZACIVSA-N 1 2 302.334 3.013 20 5 DGBDLO CCc1nocc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000507242668 294290450 /nfs/dbraw/zinc/29/04/50/294290450.db2.gz GYQWSILCSGGWNV-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO CCc1nocc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000507242668 294290454 /nfs/dbraw/zinc/29/04/54/294290454.db2.gz GYQWSILCSGGWNV-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1F)CC2 ZINC000353590271 434251824 /nfs/dbraw/zinc/25/18/24/434251824.db2.gz DMELBVWZCKBKRX-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1F)CC2 ZINC000353590271 434251831 /nfs/dbraw/zinc/25/18/31/434251831.db2.gz DMELBVWZCKBKRX-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO CC(C)c1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000295374234 434333764 /nfs/dbraw/zinc/33/37/64/434333764.db2.gz SOYFJZCTZRBNKU-UHFFFAOYSA-N 1 2 320.418 3.244 20 5 DGBDLO CC(C)c1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000295374234 434333773 /nfs/dbraw/zinc/33/37/73/434333773.db2.gz SOYFJZCTZRBNKU-UHFFFAOYSA-N 1 2 320.418 3.244 20 5 DGBDLO CCOc1cc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000450825820 434423548 /nfs/dbraw/zinc/42/35/48/434423548.db2.gz FMBFPSPEZIBWMX-ZYHUDNBSSA-N 1 2 302.334 3.308 20 5 DGBDLO C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450822427 434424006 /nfs/dbraw/zinc/42/40/06/434424006.db2.gz BEPQNWOBFHYYAJ-ZWNOBZJWSA-N 1 2 309.329 3.457 20 5 DGBDLO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2[nH+]ccn21 ZINC000450828326 434428493 /nfs/dbraw/zinc/42/84/93/434428493.db2.gz JYHWQHWABLCIDI-QMTHXVAHSA-N 1 2 309.329 3.457 20 5 DGBDLO C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000287831447 434464567 /nfs/dbraw/zinc/46/45/67/434464567.db2.gz LIMLETZHFGGHRH-SMDDNHRTSA-N 1 2 304.325 3.018 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)CCC2 ZINC000366691361 434484984 /nfs/dbraw/zinc/48/49/84/434484984.db2.gz YJJPMWDLYUYPBW-SNVBAGLBSA-N 1 2 321.768 3.138 20 5 DGBDLO CC(C)c1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349348887 434682426 /nfs/dbraw/zinc/68/24/26/434682426.db2.gz NLWTXXKIPOVCBQ-ZDUSSCGKSA-N 1 2 320.311 3.073 20 5 DGBDLO CC(C)c1ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349348887 434682433 /nfs/dbraw/zinc/68/24/33/434682433.db2.gz NLWTXXKIPOVCBQ-ZDUSSCGKSA-N 1 2 320.311 3.073 20 5 DGBDLO O=[N+]([O-])c1cccc2c1ccn2Cc1[nH+]ccn1CC(F)(F)F ZINC000360821422 434703571 /nfs/dbraw/zinc/70/35/71/434703571.db2.gz YQYRTDGULGPJBV-UHFFFAOYSA-N 1 2 324.262 3.357 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(NCc2ccn3cc[nH+]c3c2)c(F)c1 ZINC000440589954 434720101 /nfs/dbraw/zinc/72/01/01/434720101.db2.gz WDOAWXXJJCSCQO-UHFFFAOYSA-N 1 2 304.256 3.133 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2n1C ZINC000524698642 434984024 /nfs/dbraw/zinc/98/40/24/434984024.db2.gz LCXMOBKHFYZSCG-UHFFFAOYSA-N 1 2 324.340 3.351 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(F)c1 ZINC000530724783 435048093 /nfs/dbraw/zinc/04/80/93/435048093.db2.gz BUYCJOLBRVYSOL-MRXNPFEDSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(F)c1 ZINC000530724783 435048095 /nfs/dbraw/zinc/04/80/95/435048095.db2.gz BUYCJOLBRVYSOL-MRXNPFEDSA-N 1 2 301.321 3.466 20 5 DGBDLO COc1cc(OCc2[nH+]cc(C)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000475893005 435215715 /nfs/dbraw/zinc/21/57/15/435215715.db2.gz RYGXOYFVVXDNKM-UHFFFAOYSA-N 1 2 318.329 3.203 20 5 DGBDLO CC1=C(C)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000483359537 435516230 /nfs/dbraw/zinc/51/62/30/435516230.db2.gz STEFLLYXESGGHT-UHFFFAOYSA-N 1 2 323.780 3.229 20 5 DGBDLO CC1=C(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000483359537 435516234 /nfs/dbraw/zinc/51/62/34/435516234.db2.gz STEFLLYXESGGHT-UHFFFAOYSA-N 1 2 323.780 3.229 20 5 DGBDLO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CC)C(=O)OCC ZINC000484548357 435547530 /nfs/dbraw/zinc/54/75/30/435547530.db2.gz SIWAKZIPJWMHLC-CQSZACIVSA-N 1 2 308.378 3.149 20 5 DGBDLO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CC)C(=O)OCC ZINC000484548357 435547535 /nfs/dbraw/zinc/54/75/35/435547535.db2.gz SIWAKZIPJWMHLC-CQSZACIVSA-N 1 2 308.378 3.149 20 5 DGBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541069436 435636482 /nfs/dbraw/zinc/63/64/82/435636482.db2.gz CXGHLMYZJWGZAY-AWEZNQCLSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541069436 435636486 /nfs/dbraw/zinc/63/64/86/435636486.db2.gz CXGHLMYZJWGZAY-AWEZNQCLSA-N 1 2 312.797 3.495 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000548097677 435668004 /nfs/dbraw/zinc/66/80/04/435668004.db2.gz RDSCBMQGVJFMFB-ZUZCIYMTSA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000548097677 435668007 /nfs/dbraw/zinc/66/80/07/435668007.db2.gz RDSCBMQGVJFMFB-ZUZCIYMTSA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C2CC2)O1 ZINC000548425137 435690932 /nfs/dbraw/zinc/69/09/32/435690932.db2.gz QLHPOYXHIMFJCT-ZUZCIYMTSA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C2CC2)O1 ZINC000548425137 435690935 /nfs/dbraw/zinc/69/09/35/435690935.db2.gz QLHPOYXHIMFJCT-ZUZCIYMTSA-N 1 2 310.781 3.248 20 5 DGBDLO Cc1cc(N[C@@H]2CCC[C@@H]2F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000549702410 435770490 /nfs/dbraw/zinc/77/04/90/435770490.db2.gz NZNQIRIGJPKCLV-UONOGXRCSA-N 1 2 316.336 3.085 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000563808206 315138938 /nfs/dbraw/zinc/13/89/38/315138938.db2.gz DNMBIBZTIKEVPC-OAHLLOKOSA-N 1 2 310.781 3.249 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000563808206 315138940 /nfs/dbraw/zinc/13/89/40/315138940.db2.gz DNMBIBZTIKEVPC-OAHLLOKOSA-N 1 2 310.781 3.249 20 5 DGBDLO C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180392634 323228591 /nfs/dbraw/zinc/22/85/91/323228591.db2.gz KGRLCWZLUNLAHW-LBPRGKRZSA-N 1 2 324.340 3.496 20 5 DGBDLO COC(=O)c1sccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180417031 323229167 /nfs/dbraw/zinc/22/91/67/323229167.db2.gz OHPSAUGTBMAANC-JTQLQIEISA-N 1 2 320.370 3.294 20 5 DGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180450625 323229609 /nfs/dbraw/zinc/22/96/09/323229609.db2.gz HHZVDKPEQCSVSB-JTQLQIEISA-N 1 2 314.301 3.089 20 5 DGBDLO CCCCc1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181806644 323270340 /nfs/dbraw/zinc/27/03/40/323270340.db2.gz VBZRXOYYVUXANE-GFCCVEGCSA-N 1 2 318.377 3.480 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183846702 323349450 /nfs/dbraw/zinc/34/94/50/323349450.db2.gz WGDUSYLUVVVCKS-SNVBAGLBSA-N 1 2 303.293 3.180 20 5 DGBDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCCC2 ZINC000582503554 324237904 /nfs/dbraw/zinc/23/79/04/324237904.db2.gz PDGCWBWMQRXQPU-JKSUJKDBSA-N 1 2 320.389 3.128 20 5 DGBDLO Cc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444624321 533879786 /nfs/dbraw/zinc/87/97/86/533879786.db2.gz DYFMTQFWYRISLM-UHFFFAOYSA-N 1 2 316.386 3.473 20 5 DGBDLO Cc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444624321 533879792 /nfs/dbraw/zinc/87/97/92/533879792.db2.gz DYFMTQFWYRISLM-UHFFFAOYSA-N 1 2 316.386 3.473 20 5 DGBDLO Cc1ccc(CN2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000294703173 533915359 /nfs/dbraw/zinc/91/53/59/533915359.db2.gz DEIMHEKISPFHNU-HNNXBMFYSA-N 1 2 314.389 3.220 20 5 DGBDLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000296715473 533941578 /nfs/dbraw/zinc/94/15/78/533941578.db2.gz MMMNNNDMSVPEPA-JTQLQIEISA-N 1 2 304.350 3.126 20 5 DGBDLO Cn1cc[nH+]c1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000343291740 534789827 /nfs/dbraw/zinc/78/98/27/534789827.db2.gz CHBWCNHSKNKAHQ-UHFFFAOYSA-N 1 2 316.364 3.052 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H](O)C3CCCCC3)c2c1 ZINC000413120541 534885059 /nfs/dbraw/zinc/88/50/59/534885059.db2.gz RBXWUMAAKLVLTP-MRXNPFEDSA-N 1 2 315.373 3.496 20 5 DGBDLO O=C(CSc1[nH+]cc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000157474445 527068484 /nfs/dbraw/zinc/06/84/84/527068484.db2.gz PBDQKFCDZHRHSX-UHFFFAOYSA-N 1 2 313.338 3.218 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000331812785 528209833 /nfs/dbraw/zinc/20/98/33/528209833.db2.gz MUWWXGQCHZSQOO-WBVHZDCISA-N 1 2 320.389 3.135 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000331812785 528209836 /nfs/dbraw/zinc/20/98/36/528209836.db2.gz MUWWXGQCHZSQOO-WBVHZDCISA-N 1 2 320.389 3.135 20 5 DGBDLO CC1CC[NH+](c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000302143670 528267999 /nfs/dbraw/zinc/26/79/99/528267999.db2.gz GJVWOXJXUURUTE-UHFFFAOYSA-N 1 2 313.361 3.365 20 5 DGBDLO CCC[C@@H](CCO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413161671 528937477 /nfs/dbraw/zinc/93/74/77/528937477.db2.gz BWPYTCZXGCTWRC-LBPRGKRZSA-N 1 2 303.362 3.354 20 5 DGBDLO Cc1c(CO[NH+]=C(N)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000731028967 574541522 /nfs/dbraw/zinc/54/15/22/574541522.db2.gz LHPNEUGCHHXEBT-UHFFFAOYSA-N 1 2 305.359 3.206 20 5 DGBDLO CC12CC(C1)C[N@@H+]2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852785687 620648849 /nfs/dbraw/zinc/64/88/49/620648849.db2.gz FKAQXMDVRDOCFA-UHFFFAOYSA-N 1 2 311.179 3.342 20 5 DGBDLO CC12CC(C1)C[N@H+]2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852785687 620648850 /nfs/dbraw/zinc/64/88/50/620648850.db2.gz FKAQXMDVRDOCFA-UHFFFAOYSA-N 1 2 311.179 3.342 20 5 DGBDLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000926268813 617915325 /nfs/dbraw/zinc/91/53/25/617915325.db2.gz IGUAFPPPGYTBIV-ZDUSSCGKSA-N 1 2 301.346 3.367 20 5 DGBDLO CCC(=O)c1ccc(NCc2cc[nH+]c(NC)c2)c([N+](=O)[O-])c1 ZINC000895255702 618583511 /nfs/dbraw/zinc/58/35/11/618583511.db2.gz LJPMEMPJDHFUJZ-UHFFFAOYSA-N 1 2 314.345 3.236 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1Cl ZINC000896600366 618933130 /nfs/dbraw/zinc/93/31/30/618933130.db2.gz WFLLUMTWGQLUSX-CQSZACIVSA-N 1 2 318.764 3.279 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1Cl ZINC000896600365 618933208 /nfs/dbraw/zinc/93/32/08/618933208.db2.gz WFLLUMTWGQLUSX-AWEZNQCLSA-N 1 2 318.764 3.279 20 5 DGBDLO CCCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000902874127 619685163 /nfs/dbraw/zinc/68/51/63/619685163.db2.gz CHJYJWJNVXIISZ-CHWSQXEVSA-N 1 2 317.393 3.317 20 5 DGBDLO CCc1nc(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cs1 ZINC000903092271 619718581 /nfs/dbraw/zinc/71/85/81/619718581.db2.gz JKKPNEOXCILWAI-SNVBAGLBSA-N 1 2 321.402 3.473 20 5 DGBDLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nnc(C)s2)cc([N+](=O)[O-])c1 ZINC000903154748 619726278 /nfs/dbraw/zinc/72/62/78/619726278.db2.gz WFCGCMGHSWXRHI-IUCAKERBSA-N 1 2 322.390 3.175 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccco3)no2)cc1-n1cc[nH+]c1 ZINC000904759481 619945541 /nfs/dbraw/zinc/94/55/41/619945541.db2.gz UDGXCOYTSJOHPY-UHFFFAOYSA-N 1 2 323.268 3.091 20 5 DGBDLO C[C@@H]1[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000922556407 621057132 /nfs/dbraw/zinc/05/71/32/621057132.db2.gz GXHKYNBUVPRZQO-IUODEOHRSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@@H]1[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000922556407 621057135 /nfs/dbraw/zinc/05/71/35/621057135.db2.gz GXHKYNBUVPRZQO-IUODEOHRSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@H]1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000922556906 621057185 /nfs/dbraw/zinc/05/71/85/621057185.db2.gz JYCIWMBWEGKEQQ-LRDDRELGSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@H]1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000922556906 621057188 /nfs/dbraw/zinc/05/71/88/621057188.db2.gz JYCIWMBWEGKEQQ-LRDDRELGSA-N 1 2 315.373 3.037 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1Cl ZINC000922580830 621060734 /nfs/dbraw/zinc/06/07/34/621060734.db2.gz FKCQSYWMMYWPMY-AWEZNQCLSA-N 1 2 318.764 3.279 20 5 DGBDLO COc1cc(C[NH2+][C@H](C)c2ccns2)c([N+](=O)[O-])cc1F ZINC000860059121 621361363 /nfs/dbraw/zinc/36/13/63/621361363.db2.gz UOGHFXDFSIDXSI-MRVPVSSYSA-N 1 2 311.338 3.050 20 5 DGBDLO Cc1[nH]c(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)[nH+]c1C ZINC000862217046 621562934 /nfs/dbraw/zinc/56/29/34/621562934.db2.gz TYCZKFRXGDGXJI-UHFFFAOYSA-N 1 2 308.769 3.220 20 5 DGBDLO NC(Cc1ccccc1)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761734473 622026815 /nfs/dbraw/zinc/02/68/15/622026815.db2.gz RZJROKLMWXBWAU-UHFFFAOYSA-N 1 2 319.748 3.489 20 5 DGBDLO COCc1cc[nH+]c(N[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866385004 622107562 /nfs/dbraw/zinc/10/75/62/622107562.db2.gz QKZZSXNHVJNQAN-LLVKDONJSA-N 1 2 319.336 3.318 20 5 DGBDLO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000866564116 622139576 /nfs/dbraw/zinc/13/95/76/622139576.db2.gz RLLMRHWCCPXKJF-SECBINFHSA-N 1 2 310.304 3.117 20 5 DGBDLO Cn1cc(C(F)F)c(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000866567997 622140373 /nfs/dbraw/zinc/14/03/73/622140373.db2.gz OUNQAXFZZWYZTB-LBPRGKRZSA-N 1 2 322.315 3.043 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000870701412 622498898 /nfs/dbraw/zinc/49/88/98/622498898.db2.gz RZORBIVVCLSUBX-LBPRGKRZSA-N 1 2 317.345 3.103 20 5 DGBDLO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872026912 622760156 /nfs/dbraw/zinc/76/01/56/622760156.db2.gz IXMXIXIHJBRBPG-GLZQIGESSA-N 1 2 316.332 3.043 20 5 DGBDLO CCc1noc(C)c1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072764 622790053 /nfs/dbraw/zinc/79/00/53/622790053.db2.gz JTQNQSVSUNXNIR-SECBINFHSA-N 1 2 307.325 3.444 20 5 DGBDLO CCn1cc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872079523 622793653 /nfs/dbraw/zinc/79/36/53/622793653.db2.gz ZDJBBVWGLZEXFV-WDEREUQCSA-N 1 2 306.341 3.362 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000771844340 622802702 /nfs/dbraw/zinc/80/27/02/622802702.db2.gz SRMQZIUAKKBMKX-UHFFFAOYSA-N 1 2 323.805 3.483 20 5 DGBDLO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000873183674 623064960 /nfs/dbraw/zinc/06/49/60/623064960.db2.gz ZLTKGKMZGIGMDH-JTQLQIEISA-N 1 2 303.387 3.391 20 5 DGBDLO Cc1nn(C[NH+]2CCC(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000779859985 623823355 /nfs/dbraw/zinc/82/33/55/623823355.db2.gz QYQDDHVDEMBUIH-UHFFFAOYSA-N 1 2 306.410 3.350 20 5 DGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(Cl)cs1 ZINC000877503333 623915069 /nfs/dbraw/zinc/91/50/69/623915069.db2.gz JCJPKZUMRDGOHF-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(Cl)cs1 ZINC000877503333 623915072 /nfs/dbraw/zinc/91/50/72/623915072.db2.gz JCJPKZUMRDGOHF-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO CCn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783567881 624366380 /nfs/dbraw/zinc/36/63/80/624366380.db2.gz YXUBNQQRKNRRCP-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO CCn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783567881 624366382 /nfs/dbraw/zinc/36/63/82/624366382.db2.gz YXUBNQQRKNRRCP-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000878878484 624378487 /nfs/dbraw/zinc/37/84/87/624378487.db2.gz PUFSVLAUQGLWBS-AWEZNQCLSA-N 1 2 306.753 3.308 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000878878484 624378492 /nfs/dbraw/zinc/37/84/92/624378492.db2.gz PUFSVLAUQGLWBS-AWEZNQCLSA-N 1 2 306.753 3.308 20 5 DGBDLO C/C(=C/C(=O)Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000784046464 624427679 /nfs/dbraw/zinc/42/76/79/624427679.db2.gz TXBADJGGSSNFLQ-QXMHVHEDSA-N 1 2 322.324 3.285 20 5 DGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCCCn1cc[nH+]c1 ZINC000784710328 624575958 /nfs/dbraw/zinc/57/59/58/624575958.db2.gz DQQPBEJAYXUCSI-UHFFFAOYSA-N 1 2 323.736 3.000 20 5 DGBDLO O=C(O[C@H]1C=CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676067 624712202 /nfs/dbraw/zinc/71/22/02/624712202.db2.gz ORBVDFUYPYVDSP-ZDUSSCGKSA-N 1 2 313.313 3.046 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047701 624766468 /nfs/dbraw/zinc/76/64/68/624766468.db2.gz WVVCGOFLJCYGCZ-ZWNOBZJWSA-N 1 2 318.295 3.309 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047701 624766469 /nfs/dbraw/zinc/76/64/69/624766469.db2.gz WVVCGOFLJCYGCZ-ZWNOBZJWSA-N 1 2 318.295 3.309 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000886012501 627083541 /nfs/dbraw/zinc/08/35/41/627083541.db2.gz JEXOAPFTCGGHQD-OAHLLOKOSA-N 1 2 315.398 3.280 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000886012501 627083542 /nfs/dbraw/zinc/08/35/42/627083542.db2.gz JEXOAPFTCGGHQD-OAHLLOKOSA-N 1 2 315.398 3.280 20 5 DGBDLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cccnc1[N+](=O)[O-])CCC2 ZINC000886064449 627097436 /nfs/dbraw/zinc/09/74/36/627097436.db2.gz FDKWTVWEJKNOED-CYBMUJFWSA-N 1 2 318.402 3.264 20 5 DGBDLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccnc1[N+](=O)[O-])CCC2 ZINC000886064449 627097437 /nfs/dbraw/zinc/09/74/37/627097437.db2.gz FDKWTVWEJKNOED-CYBMUJFWSA-N 1 2 318.402 3.264 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000886364318 627143649 /nfs/dbraw/zinc/14/36/49/627143649.db2.gz WBGXARWFASXMGA-OAHLLOKOSA-N 1 2 302.305 3.217 20 5 DGBDLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000886433736 627148091 /nfs/dbraw/zinc/14/80/91/627148091.db2.gz SLRURWNIRZEIEE-QGZVFWFLSA-N 1 2 318.348 3.208 20 5 DGBDLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000886433736 627148092 /nfs/dbraw/zinc/14/80/92/627148092.db2.gz SLRURWNIRZEIEE-QGZVFWFLSA-N 1 2 318.348 3.208 20 5 DGBDLO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000925496665 627579829 /nfs/dbraw/zinc/57/98/29/627579829.db2.gz RTYYWCHSHOONDX-NWDGAFQWSA-N 1 2 317.393 3.235 20 5 DGBDLO CCc1nocc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816652390 627820846 /nfs/dbraw/zinc/82/08/46/627820846.db2.gz JCSZDSNAOZFZFY-UHFFFAOYSA-N 1 2 309.753 3.431 20 5 DGBDLO CCc1nocc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816652390 627820850 /nfs/dbraw/zinc/82/08/50/627820850.db2.gz JCSZDSNAOZFZFY-UHFFFAOYSA-N 1 2 309.753 3.431 20 5 DGBDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c2nccn21 ZINC000825017692 628716766 /nfs/dbraw/zinc/71/67/66/628716766.db2.gz XHCMZZIGYLSEQZ-JOYOIKCWSA-N 1 2 306.753 3.240 20 5 DGBDLO COc1cc(F)c([N+](=O)[O-])c(NCc2c[nH+]c(C)cc2C)c1 ZINC000829463939 629159447 /nfs/dbraw/zinc/15/94/47/629159447.db2.gz SIWFUTYHVODTDO-UHFFFAOYSA-N 1 2 305.309 3.366 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000830350493 629257150 /nfs/dbraw/zinc/25/71/50/629257150.db2.gz DGKQHMHZAYDBDC-OAHLLOKOSA-N 1 2 322.311 3.086 20 5 DGBDLO CC(C)(C)[C@@H]([NH2+]Cn1nccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000057087862 659001835 /nfs/dbraw/zinc/00/18/35/659001835.db2.gz YBOCSYYUTYQDPR-AWEZNQCLSA-N 1 2 306.341 3.265 20 5 DGBDLO CCOc1ncccc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001355280343 1181026447 /nfs/dbraw/zinc/02/64/47/1181026447.db2.gz RIVCKVUDWHHEJL-UHFFFAOYSA-N 1 2 321.764 3.332 20 5 DGBDLO Nc1[nH+]cccc1CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001458777023 1182552746 /nfs/dbraw/zinc/55/27/46/1182552746.db2.gz QOKCYKVVRSXLAY-UHFFFAOYSA-N 1 2 318.383 3.474 20 5 DGBDLO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC001460610784 1182699444 /nfs/dbraw/zinc/69/94/44/1182699444.db2.gz REHVBOVBNMFRSS-CYBMUJFWSA-N 1 2 313.195 3.171 20 5 DGBDLO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC001460610784 1182699447 /nfs/dbraw/zinc/69/94/47/1182699447.db2.gz REHVBOVBNMFRSS-CYBMUJFWSA-N 1 2 313.195 3.171 20 5 DGBDLO CCCC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC001462060510 1182903054 /nfs/dbraw/zinc/90/30/54/1182903054.db2.gz NHBINTFHAWGRCB-UKRRQHHQSA-N 1 2 322.405 3.237 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001473784724 1183801318 /nfs/dbraw/zinc/80/13/18/1183801318.db2.gz SHQBWUXFJCOTLK-LLVKDONJSA-N 1 2 324.340 3.094 20 5 DGBDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1O ZINC001653981496 1195764252 /nfs/dbraw/zinc/76/42/52/1195764252.db2.gz XFSOYWQGDHWLMS-UFBFGSQYSA-N 1 2 319.188 3.104 20 5 DGBDLO O=[N+]([O-])c1cnc(NCc2[nH]c3c([nH+]2)CCCC3)c2ccccc21 ZINC001559288111 1189193275 /nfs/dbraw/zinc/19/32/75/1189193275.db2.gz PIZFEKIDTDWRBK-UHFFFAOYSA-N 1 2 323.356 3.357 20 5 DGBDLO Cc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)nc2ccccc12 ZINC001620763819 1191443561 /nfs/dbraw/zinc/44/35/61/1191443561.db2.gz MWKRGASYUKUDBB-UHFFFAOYSA-N 1 2 322.368 3.445 20 5 DGBDLO O=[N+]([O-])c1cnc(NCCNc2cccc[nH+]2)c2ccccc21 ZINC001641987771 1194882473 /nfs/dbraw/zinc/88/24/73/1194882473.db2.gz YNIWLVPPVTZBNT-UHFFFAOYSA-N 1 2 309.329 3.062 20 5 DGBDLO C[C@@H](COCC1CCCCC1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC001648384129 1195296795 /nfs/dbraw/zinc/29/67/95/1195296795.db2.gz FHLXJZDQRYRSPF-ZDUSSCGKSA-N 1 2 322.405 3.375 20 5 DGBDLO O=[N+]([O-])c1cccnc1N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001651360350 1195450367 /nfs/dbraw/zinc/45/03/67/1195450367.db2.gz AUPVERPFWKERKR-CQSZACIVSA-N 1 2 309.329 3.040 20 5 DGBDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1O ZINC001653981496 1195764247 /nfs/dbraw/zinc/76/42/47/1195764247.db2.gz XFSOYWQGDHWLMS-UFBFGSQYSA-N 1 2 319.188 3.104 20 5 DGBDLO Cc1ccnc(NCCn2c[nH+]cc2-c2ccccc2)c1[N+](=O)[O-] ZINC001655724347 1195956049 /nfs/dbraw/zinc/95/60/49/1195956049.db2.gz UPQSSWLVECTABD-UHFFFAOYSA-N 1 2 323.356 3.274 20 5 DGBDLO COc1ccccc1Cc1cn(Cc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001656951359 1196086490 /nfs/dbraw/zinc/08/64/90/1196086490.db2.gz RXGZONMORYVLKI-UHFFFAOYSA-N 1 2 323.352 3.439 20 5 DGBDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001658703572 1196290568 /nfs/dbraw/zinc/29/05/68/1196290568.db2.gz YHTPUKHIQLNBCQ-AWEZNQCLSA-N 1 2 320.389 3.116 20 5 DGBDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001658703572 1196290570 /nfs/dbraw/zinc/29/05/70/1196290570.db2.gz YHTPUKHIQLNBCQ-AWEZNQCLSA-N 1 2 320.389 3.116 20 5 DGBDLO CC(C)c1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[nH+]1 ZINC001157118737 1081966963 /nfs/dbraw/zinc/96/69/63/1081966963.db2.gz FQZDOCQPVLGPHP-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO CC(C)c1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c[nH+]1 ZINC001157118737 1081966968 /nfs/dbraw/zinc/96/69/68/1081966968.db2.gz FQZDOCQPVLGPHP-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO COc1cccc(F)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001184044850 1084094978 /nfs/dbraw/zinc/09/49/78/1084094978.db2.gz FZQDHDXHAZURNX-UHFFFAOYSA-N 1 2 308.284 3.171 20 5 DGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCCCn1cc[nH+]c1 ZINC001161684666 1089344238 /nfs/dbraw/zinc/34/42/38/1089344238.db2.gz IMZMHPSLDKQLHG-UHFFFAOYSA-N 1 2 314.267 3.312 20 5 DGBDLO CC(C)c1[nH]cc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)[nH+]1 ZINC001157125110 1089828231 /nfs/dbraw/zinc/82/82/31/1089828231.db2.gz RPZZSWOBPXWQSO-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO CC(C)c1[nH]c(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c[nH+]1 ZINC001157125110 1089828249 /nfs/dbraw/zinc/82/82/49/1089828249.db2.gz RPZZSWOBPXWQSO-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCCCN(C)c2cccc[nH+]2)c1 ZINC001163997479 1090312008 /nfs/dbraw/zinc/31/20/08/1090312008.db2.gz ZZSNAFZQOYIKGT-UHFFFAOYSA-N 1 2 300.362 3.237 20 5 DGBDLO COC(=O)[C@@H]1C[C@H](Oc2ccc3cc4ccccc4cc3c2)C[NH2+]1 ZINC001218177813 1094644328 /nfs/dbraw/zinc/64/43/28/1094644328.db2.gz MJDPKMPOGSWCJK-OALUTQOASA-N 1 2 321.376 3.275 20 5 DGBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC001337311240 1094929475 /nfs/dbraw/zinc/92/94/75/1094929475.db2.gz RNQRPBGYNPFVJJ-CYBMUJFWSA-N 1 2 323.356 3.181 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](F)C2)c1F ZINC001173188496 1097357930 /nfs/dbraw/zinc/35/79/30/1097357930.db2.gz FURGXQDNSWUFFY-GHMZBOCLSA-N 1 2 314.332 3.107 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@H](F)C2)c1F ZINC001173188496 1097357936 /nfs/dbraw/zinc/35/79/36/1097357936.db2.gz FURGXQDNSWUFFY-GHMZBOCLSA-N 1 2 314.332 3.107 20 5 DGBDLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217862 1097970232 /nfs/dbraw/zinc/97/02/32/1097970232.db2.gz APQRCOWGXRLGGJ-ZDUSSCGKSA-N 1 2 305.381 3.336 20 5 DGBDLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217862 1097970238 /nfs/dbraw/zinc/97/02/38/1097970238.db2.gz APQRCOWGXRLGGJ-ZDUSSCGKSA-N 1 2 305.381 3.336 20 5 DGBDLO COc1cc2[nH]c(Cc3cccc([N+](=O)[O-])c3)[nH+]c2cc1OC ZINC001250594423 1105543646 /nfs/dbraw/zinc/54/36/46/1105543646.db2.gz LGTHDGMWRCPACL-UHFFFAOYSA-N 1 2 313.313 3.079 20 5 DGBDLO CN(C)c1cc(CSCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001320400384 1106994111 /nfs/dbraw/zinc/99/41/11/1106994111.db2.gz AOIIRVXPCOOXNR-UHFFFAOYSA-N 1 2 303.387 3.489 20 5 DGBDLO CCc1cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nc(C)[nH+]1 ZINC000302117796 529529456 /nfs/dbraw/zinc/52/94/56/529529456.db2.gz WTFYYQMUVODLAX-UHFFFAOYSA-N 1 2 312.373 3.425 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278795583 282337004 /nfs/dbraw/zinc/33/70/04/282337004.db2.gz QRRYLBZCRLWZKG-YMTOWFKASA-N 1 2 318.402 3.483 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cn3ccccc3n2)C2CC2)cc1 ZINC000130025890 432013025 /nfs/dbraw/zinc/01/30/25/432013025.db2.gz VKVHXANXQJCPSD-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cn3ccccc3n2)C2CC2)cc1 ZINC000130025890 432013028 /nfs/dbraw/zinc/01/30/28/432013028.db2.gz VKVHXANXQJCPSD-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccccc1[N+](=O)[O-] ZINC000103965771 432013344 /nfs/dbraw/zinc/01/33/44/432013344.db2.gz POPHEGUTNWIJCT-UHFFFAOYSA-N 1 2 308.297 3.237 20 5 DGBDLO CSc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000107293416 432029848 /nfs/dbraw/zinc/02/98/48/432029848.db2.gz VMAVJIJTRFRBOY-UHFFFAOYSA-N 1 2 303.343 3.272 20 5 DGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000174476974 198339564 /nfs/dbraw/zinc/33/95/64/198339564.db2.gz ARAPJXUFMKDKIS-GFCCVEGCSA-N 1 2 310.375 3.289 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2nccs2)CC1 ZINC000332489676 235025857 /nfs/dbraw/zinc/02/58/57/235025857.db2.gz ZGWFJYYREXFZMF-UHFFFAOYSA-N 1 2 319.386 3.137 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nc(C)cs1 ZINC000080311188 192023426 /nfs/dbraw/zinc/02/34/26/192023426.db2.gz HYDMPOQPLKTIJD-SNVBAGLBSA-N 1 2 307.375 3.219 20 5 DGBDLO Cc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000237591552 202294735 /nfs/dbraw/zinc/29/47/35/202294735.db2.gz BAPSJLUKJCDCFX-NSHDSACASA-N 1 2 318.377 3.435 20 5 DGBDLO CCC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281139002 216106053 /nfs/dbraw/zinc/10/60/53/216106053.db2.gz UJZOQJNHAWSZOF-OYHNWAKOSA-N 1 2 324.446 3.327 20 5 DGBDLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271841377 209259636 /nfs/dbraw/zinc/25/96/36/209259636.db2.gz ZGMKBQNSPJQJQU-LLVKDONJSA-N 1 2 318.329 3.134 20 5 DGBDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000121544976 284200224 /nfs/dbraw/zinc/20/02/24/284200224.db2.gz AQRNWHYSVUMBGF-SFHVURJKSA-N 1 2 312.369 3.342 20 5 DGBDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000121544976 284200225 /nfs/dbraw/zinc/20/02/25/284200225.db2.gz AQRNWHYSVUMBGF-SFHVURJKSA-N 1 2 312.369 3.342 20 5 DGBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000126175462 284296909 /nfs/dbraw/zinc/29/69/09/284296909.db2.gz OBPPJFUOBOWXJF-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000126175462 284296913 /nfs/dbraw/zinc/29/69/13/284296913.db2.gz OBPPJFUOBOWXJF-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000282488646 217033634 /nfs/dbraw/zinc/03/36/34/217033634.db2.gz HPFGVBVJPZODMD-LBPRGKRZSA-N 1 2 317.393 3.101 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]cc2CC)c1 ZINC000282911237 217318749 /nfs/dbraw/zinc/31/87/49/217318749.db2.gz VHXQZKLPCGTORI-UHFFFAOYSA-N 1 2 315.329 3.203 20 5 DGBDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC000267656347 206200740 /nfs/dbraw/zinc/20/07/40/206200740.db2.gz VZJHRMLYGNZGEK-SNVBAGLBSA-N 1 2 307.375 3.049 20 5 DGBDLO CC[N@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000267876577 206314705 /nfs/dbraw/zinc/31/47/05/206314705.db2.gz FFEPJFFWWRZKRY-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CC[N@@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000267876577 206314709 /nfs/dbraw/zinc/31/47/09/206314709.db2.gz FFEPJFFWWRZKRY-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO O=[N+]([O-])c1ccc(CCn2c[nH+]c3cc(F)c(F)cc32)cc1 ZINC000336859752 253010510 /nfs/dbraw/zinc/01/05/10/253010510.db2.gz KHVLJZSQCOQPEP-UHFFFAOYSA-N 1 2 303.268 3.465 20 5 DGBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000337265542 253073957 /nfs/dbraw/zinc/07/39/57/253073957.db2.gz UIJHZHVXEYOSJK-MRXNPFEDSA-N 1 2 318.352 3.195 20 5 DGBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000337265542 253073959 /nfs/dbraw/zinc/07/39/59/253073959.db2.gz UIJHZHVXEYOSJK-MRXNPFEDSA-N 1 2 318.352 3.195 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000337232016 253066883 /nfs/dbraw/zinc/06/68/83/253066883.db2.gz UZLPLITZLYPUHQ-CQSZACIVSA-N 1 2 324.739 3.211 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCn2cc[nH+]c2C1 ZINC000342101988 285088067 /nfs/dbraw/zinc/08/80/67/285088067.db2.gz YPRSHGNQBXYSEL-UHFFFAOYSA-N 1 2 313.144 3.118 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000338962424 253379883 /nfs/dbraw/zinc/37/98/83/253379883.db2.gz HDOGWLHLHISQJL-CYBMUJFWSA-N 1 2 316.332 3.429 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000338962424 253379886 /nfs/dbraw/zinc/37/98/86/253379886.db2.gz HDOGWLHLHISQJL-CYBMUJFWSA-N 1 2 316.332 3.429 20 5 DGBDLO CC[N@H+](CCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338930585 253371352 /nfs/dbraw/zinc/37/13/52/253371352.db2.gz ZNBKUORHKAXKPS-UHFFFAOYSA-N 1 2 300.358 3.365 20 5 DGBDLO CC[N@@H+](CCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338930585 253371354 /nfs/dbraw/zinc/37/13/54/253371354.db2.gz ZNBKUORHKAXKPS-UHFFFAOYSA-N 1 2 300.358 3.365 20 5 DGBDLO Cc1cc(N2CCC[C@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343059917 254092830 /nfs/dbraw/zinc/09/28/30/254092830.db2.gz BJSSTQRYOLVLIS-ZDUSSCGKSA-N 1 2 316.336 3.299 20 5 DGBDLO CCOc1cc(N[C@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000343283403 254123490 /nfs/dbraw/zinc/12/34/90/254123490.db2.gz JRCVJVZISZSGMO-HNNXBMFYSA-N 1 2 316.361 3.290 20 5 DGBDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000289808594 221241909 /nfs/dbraw/zinc/24/19/09/221241909.db2.gz NJPQROSJCHBJDB-AWEZNQCLSA-N 1 2 316.361 3.322 20 5 DGBDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000289808594 221241910 /nfs/dbraw/zinc/24/19/10/221241910.db2.gz NJPQROSJCHBJDB-AWEZNQCLSA-N 1 2 316.361 3.322 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1F ZINC000289823474 221250589 /nfs/dbraw/zinc/25/05/89/221250589.db2.gz JJYKUOMJULOWMZ-GFCCVEGCSA-N 1 2 324.743 3.031 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1F ZINC000289823474 221250592 /nfs/dbraw/zinc/25/05/92/221250592.db2.gz JJYKUOMJULOWMZ-GFCCVEGCSA-N 1 2 324.743 3.031 20 5 DGBDLO Cc1noc([C@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000289881552 221288441 /nfs/dbraw/zinc/28/84/41/221288441.db2.gz SCKKYFUWLFQYGN-NFBGWVBBSA-N 1 2 314.345 3.137 20 5 DGBDLO Cc1noc([C@H]2CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000289881552 221288446 /nfs/dbraw/zinc/28/84/46/221288446.db2.gz SCKKYFUWLFQYGN-NFBGWVBBSA-N 1 2 314.345 3.137 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1[C@@H]1CCCO1 ZINC000289922945 221319559 /nfs/dbraw/zinc/31/95/59/221319559.db2.gz UUYWEGCEXLGJAL-LSDHHAIUSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1[C@@H]1CCCO1 ZINC000289922945 221319562 /nfs/dbraw/zinc/31/95/62/221319562.db2.gz UUYWEGCEXLGJAL-LSDHHAIUSA-N 1 2 308.353 3.123 20 5 DGBDLO COc1ccccc1C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290449 400118538 /nfs/dbraw/zinc/11/85/38/400118538.db2.gz BUMJSAJLJUYGQC-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1ccccc1C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290449 400118543 /nfs/dbraw/zinc/11/85/43/400118543.db2.gz BUMJSAJLJUYGQC-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000007460927 400105129 /nfs/dbraw/zinc/10/51/29/400105129.db2.gz SJGYOPOCHXSATQ-UHFFFAOYSA-N 1 2 324.340 3.200 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000007926971 400114091 /nfs/dbraw/zinc/11/40/91/400114091.db2.gz PAOQQNODLCAUIO-UHFFFAOYSA-N 1 2 319.386 3.035 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000007926971 400114097 /nfs/dbraw/zinc/11/40/97/400114097.db2.gz PAOQQNODLCAUIO-UHFFFAOYSA-N 1 2 319.386 3.035 20 5 DGBDLO Cc1noc(C[N@H+](Cc2ccco2)C2CCCC2)c1[N+](=O)[O-] ZINC000595295082 400120896 /nfs/dbraw/zinc/12/08/96/400120896.db2.gz DKZWHMLPQAMFJN-UHFFFAOYSA-N 1 2 305.334 3.429 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2ccco2)C2CCCC2)c1[N+](=O)[O-] ZINC000595295082 400120900 /nfs/dbraw/zinc/12/09/00/400120900.db2.gz DKZWHMLPQAMFJN-UHFFFAOYSA-N 1 2 305.334 3.429 20 5 DGBDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595306567 400123221 /nfs/dbraw/zinc/12/32/21/400123221.db2.gz ORGIKLYIXODGBS-ZDUSSCGKSA-N 1 2 317.345 3.237 20 5 DGBDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595306567 400123226 /nfs/dbraw/zinc/12/32/26/400123226.db2.gz ORGIKLYIXODGBS-ZDUSSCGKSA-N 1 2 317.345 3.237 20 5 DGBDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595330619 400128690 /nfs/dbraw/zinc/12/86/90/400128690.db2.gz MGMQUPKSSUXQBN-JTQLQIEISA-N 1 2 324.406 3.412 20 5 DGBDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595330619 400128693 /nfs/dbraw/zinc/12/86/93/400128693.db2.gz MGMQUPKSSUXQBN-JTQLQIEISA-N 1 2 324.406 3.412 20 5 DGBDLO CC[C@@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1nc(C)cs1 ZINC000595380809 400136335 /nfs/dbraw/zinc/13/63/35/400136335.db2.gz DMUSQHQCTIIMGW-CYBMUJFWSA-N 1 2 310.379 3.071 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2[nH+]1 ZINC000010657043 400136868 /nfs/dbraw/zinc/13/68/68/400136868.db2.gz LHTFVJOKYQEIGL-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2[nH+]1 ZINC000010657043 400136870 /nfs/dbraw/zinc/13/68/70/400136870.db2.gz LHTFVJOKYQEIGL-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO COc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)sn1 ZINC000595386404 400138193 /nfs/dbraw/zinc/13/81/93/400138193.db2.gz FNCONPIYSYMKJT-UHFFFAOYSA-N 1 2 319.386 3.225 20 5 DGBDLO COc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)sn1 ZINC000595386404 400138195 /nfs/dbraw/zinc/13/81/95/400138195.db2.gz FNCONPIYSYMKJT-UHFFFAOYSA-N 1 2 319.386 3.225 20 5 DGBDLO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000595406639 400141616 /nfs/dbraw/zinc/14/16/16/400141616.db2.gz ACQFBWBYLKZGJK-CYBMUJFWSA-N 1 2 305.334 3.141 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000595488848 400166479 /nfs/dbraw/zinc/16/64/79/400166479.db2.gz DMOPYBMOSPSAJJ-ZDUSSCGKSA-N 1 2 324.743 3.031 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000595488848 400166482 /nfs/dbraw/zinc/16/64/82/400166482.db2.gz DMOPYBMOSPSAJJ-ZDUSSCGKSA-N 1 2 324.743 3.031 20 5 DGBDLO CCOc1cc(C[NH2+][C@H](C)c2cscn2)ccc1[N+](=O)[O-] ZINC000595669599 400223074 /nfs/dbraw/zinc/22/30/74/400223074.db2.gz WYSLDBZFGPVNFG-SNVBAGLBSA-N 1 2 307.375 3.301 20 5 DGBDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595680956 400225604 /nfs/dbraw/zinc/22/56/04/400225604.db2.gz JBFGKXFEXZSPPO-LLVKDONJSA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595680956 400225605 /nfs/dbraw/zinc/22/56/05/400225605.db2.gz JBFGKXFEXZSPPO-LLVKDONJSA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000610248001 400229248 /nfs/dbraw/zinc/22/92/48/400229248.db2.gz BSOASNNCLPUSGK-STQMWFEESA-N 1 2 300.362 3.259 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000610248001 400229254 /nfs/dbraw/zinc/22/92/54/400229254.db2.gz BSOASNNCLPUSGK-STQMWFEESA-N 1 2 300.362 3.259 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000610247999 400229459 /nfs/dbraw/zinc/22/94/59/400229459.db2.gz BSOASNNCLPUSGK-OLZOCXBDSA-N 1 2 300.362 3.259 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000610247999 400229463 /nfs/dbraw/zinc/22/94/63/400229463.db2.gz BSOASNNCLPUSGK-OLZOCXBDSA-N 1 2 300.362 3.259 20 5 DGBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093315224 400237287 /nfs/dbraw/zinc/23/72/87/400237287.db2.gz XDBLPGARYQBJJO-NSHDSACASA-N 1 2 302.330 3.199 20 5 DGBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093315224 400237290 /nfs/dbraw/zinc/23/72/90/400237290.db2.gz XDBLPGARYQBJJO-NSHDSACASA-N 1 2 302.330 3.199 20 5 DGBDLO COc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000588934299 400247925 /nfs/dbraw/zinc/24/79/25/400247925.db2.gz OWHKITCKNOUMFN-UHFFFAOYSA-N 1 2 300.305 3.271 20 5 DGBDLO O=[N+]([O-])c1ccc(NCC[NH+]2Cc3ccccc3C2)c(F)c1 ZINC000068321496 400251910 /nfs/dbraw/zinc/25/19/10/400251910.db2.gz IYCOVJAVEWSMAF-UHFFFAOYSA-N 1 2 301.321 3.162 20 5 DGBDLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000023889635 400212576 /nfs/dbraw/zinc/21/25/76/400212576.db2.gz GVXGYVRSWDFIJB-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595815154 400267812 /nfs/dbraw/zinc/26/78/12/400267812.db2.gz LWCCVZIYLAEMFT-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595815154 400267816 /nfs/dbraw/zinc/26/78/16/400267816.db2.gz LWCCVZIYLAEMFT-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595814724 400268571 /nfs/dbraw/zinc/26/85/71/400268571.db2.gz IFZKPKMCOKORLJ-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595814724 400268573 /nfs/dbraw/zinc/26/85/73/400268573.db2.gz IFZKPKMCOKORLJ-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO CC(=O)c1ccc(NCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])c1 ZINC000068772584 400286447 /nfs/dbraw/zinc/28/64/47/400286447.db2.gz WAGXOTGITCHXIX-UHFFFAOYSA-N 1 2 324.340 3.366 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC2CC1(C)C2 ZINC000595915807 400293552 /nfs/dbraw/zinc/29/35/52/400293552.db2.gz OBOIGUVBKTXJSM-SBTGLGLWSA-N 1 2 323.780 3.060 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC2CC1(C)C2 ZINC000595915807 400293554 /nfs/dbraw/zinc/29/35/54/400293554.db2.gz OBOIGUVBKTXJSM-SBTGLGLWSA-N 1 2 323.780 3.060 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595918297 400295023 /nfs/dbraw/zinc/29/50/23/400295023.db2.gz WJTHDSSQSPKWRJ-YGRLFVJLSA-N 1 2 300.305 3.012 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595918297 400295026 /nfs/dbraw/zinc/29/50/26/400295026.db2.gz WJTHDSSQSPKWRJ-YGRLFVJLSA-N 1 2 300.305 3.012 20 5 DGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000029951597 400319035 /nfs/dbraw/zinc/31/90/35/400319035.db2.gz FJOBDWHABKLVFV-UHFFFAOYSA-N 1 2 308.297 3.033 20 5 DGBDLO C[C@@]1(C2CC2)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000596338741 400385272 /nfs/dbraw/zinc/38/52/72/400385272.db2.gz LNVFQPHMCNMVJX-KRWDZBQOSA-N 1 2 313.357 3.148 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCCC2)c(F)c1 ZINC000596355126 400389725 /nfs/dbraw/zinc/38/97/25/400389725.db2.gz DMHIBEXZWZRVBU-UHFFFAOYSA-N 1 2 316.336 3.341 20 5 DGBDLO Cn1nc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000611254782 400364840 /nfs/dbraw/zinc/36/48/40/400364840.db2.gz VMRIOJKJHTZUIA-UHFFFAOYSA-N 1 2 310.357 3.114 20 5 DGBDLO Cn1nc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000611254782 400364846 /nfs/dbraw/zinc/36/48/46/400364846.db2.gz VMRIOJKJHTZUIA-UHFFFAOYSA-N 1 2 310.357 3.114 20 5 DGBDLO Cn1c[nH+]c(CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c1 ZINC000596265942 400366036 /nfs/dbraw/zinc/36/60/36/400366036.db2.gz XQNZRUAXVSQZIQ-UHFFFAOYSA-N 1 2 314.267 3.002 20 5 DGBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](CC)CO1 ZINC000602697731 400542827 /nfs/dbraw/zinc/54/28/27/400542827.db2.gz HXOOLJNUYNSTKY-DGCLKSJQSA-N 1 2 319.361 3.125 20 5 DGBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](CC)CO1 ZINC000602697731 400542831 /nfs/dbraw/zinc/54/28/31/400542831.db2.gz HXOOLJNUYNSTKY-DGCLKSJQSA-N 1 2 319.361 3.125 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592194475 400622585 /nfs/dbraw/zinc/62/25/85/400622585.db2.gz PDYBBOXXRCHPOO-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592194475 400622588 /nfs/dbraw/zinc/62/25/88/400622588.db2.gz PDYBBOXXRCHPOO-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000052927322 400755544 /nfs/dbraw/zinc/75/55/44/400755544.db2.gz ZWKSUFSQCXPPMY-UHFFFAOYSA-N 1 2 314.326 3.094 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3c3ccncc3)nc2c1 ZINC000153989566 400690725 /nfs/dbraw/zinc/69/07/25/400690725.db2.gz UGCNFORZEIXGPA-OAHLLOKOSA-N 1 2 324.340 3.468 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3c3ccncc3)nc2c1 ZINC000153989566 400690727 /nfs/dbraw/zinc/69/07/27/400690727.db2.gz UGCNFORZEIXGPA-OAHLLOKOSA-N 1 2 324.340 3.468 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000051213061 400697373 /nfs/dbraw/zinc/69/73/73/400697373.db2.gz PSOHXAISMIWHAB-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000051213061 400697376 /nfs/dbraw/zinc/69/73/76/400697376.db2.gz PSOHXAISMIWHAB-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO O=[N+]([O-])c1c(NCc2cn3ccccc3[nH+]2)ccc2ncccc21 ZINC000051282834 400698975 /nfs/dbraw/zinc/69/89/75/400698975.db2.gz ZIUFRJBHSVRLID-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000157076173 400714464 /nfs/dbraw/zinc/71/44/64/400714464.db2.gz MMRYUQXWAPUZMI-LLVKDONJSA-N 1 2 320.418 3.277 20 5 DGBDLO C[C@@H](O)CC(C)(C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599050377 400939749 /nfs/dbraw/zinc/93/97/49/400939749.db2.gz MEFTUFBHLJPCGJ-LLVKDONJSA-N 1 2 303.362 3.352 20 5 DGBDLO CCOC[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599052958 400940097 /nfs/dbraw/zinc/94/00/97/400940097.db2.gz CGUMHVFAZJRTTH-LBPRGKRZSA-N 1 2 301.346 3.006 20 5 DGBDLO C[C@@]1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCC[C@H]1O ZINC000599055100 400941341 /nfs/dbraw/zinc/94/13/41/400941341.db2.gz NAIHGPLLRGCXMI-WBVHZDCISA-N 1 2 315.373 3.496 20 5 DGBDLO C[C@H]1C[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599065785 400946407 /nfs/dbraw/zinc/94/64/07/400946407.db2.gz QXTYGVSSPFWLLZ-NWDGAFQWSA-N 1 2 301.346 3.370 20 5 DGBDLO CC[C@H](C)[C@@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043985 400936317 /nfs/dbraw/zinc/93/63/17/400936317.db2.gz QMAQOBCMHMVZTQ-ZBEGNZNMSA-N 1 2 303.362 3.352 20 5 DGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000080978903 401012979 /nfs/dbraw/zinc/01/29/79/401012979.db2.gz HNILMFLLIZFHHO-UHFFFAOYSA-N 1 2 320.296 3.052 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@]2(CCOC2)C1 ZINC000599088273 400956691 /nfs/dbraw/zinc/95/66/91/400956691.db2.gz PLFVVOOQMAYNPN-KRWDZBQOSA-N 1 2 313.357 3.150 20 5 DGBDLO O=[N+]([O-])c1c(NCCC[C@@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599086904 400957240 /nfs/dbraw/zinc/95/72/40/400957240.db2.gz ATQBGTUNPJKANK-GFCCVEGCSA-N 1 2 301.346 3.372 20 5 DGBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000599103137 400961308 /nfs/dbraw/zinc/96/13/08/400961308.db2.gz VSZKBOUWYFQXMX-GFCCVEGCSA-N 1 2 301.321 3.431 20 5 DGBDLO O=[N+]([O-])c1c(F)cccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000057137366 400973489 /nfs/dbraw/zinc/97/34/89/400973489.db2.gz BXFCPEWZOWCTMZ-UHFFFAOYSA-N 1 2 316.336 3.341 20 5 DGBDLO C[C@@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1(F)F ZINC000599513684 401064335 /nfs/dbraw/zinc/06/43/35/401064335.db2.gz CNDHQACNCACRIT-NXEZZACHSA-N 1 2 324.331 3.194 20 5 DGBDLO COc1cc(NCCc2[nH+]cc(C)cc2C)c(F)cc1[N+](=O)[O-] ZINC000594595530 401122096 /nfs/dbraw/zinc/12/20/96/401122096.db2.gz HGRNUDJBIJZTEW-UHFFFAOYSA-N 1 2 319.336 3.409 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCNc2cc[nH+]c3ccncc23)cc1 ZINC000085653205 401173929 /nfs/dbraw/zinc/17/39/29/401173929.db2.gz GARDCNSCCZNELH-UHFFFAOYSA-N 1 2 309.329 3.062 20 5 DGBDLO CCc1ccc([C@H](CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000359625653 286349796 /nfs/dbraw/zinc/34/97/96/286349796.db2.gz OFGKJAPDHBMZLW-INIZCTEOSA-N 1 2 318.348 3.120 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1cccc(C)c1[N+](=O)[O-])CCC2 ZINC000364246813 287003117 /nfs/dbraw/zinc/00/31/17/287003117.db2.gz CHHTVSCLQHMVNU-ZDUSSCGKSA-N 1 2 300.362 3.398 20 5 DGBDLO Cc1ccc(C[N@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000181962745 432152600 /nfs/dbraw/zinc/15/26/00/432152600.db2.gz MMWNIHYSWAXYQP-UHFFFAOYSA-N 1 2 318.348 3.037 20 5 DGBDLO Cc1ccc(C[N@@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000181962745 432152603 /nfs/dbraw/zinc/15/26/03/432152603.db2.gz MMWNIHYSWAXYQP-UHFFFAOYSA-N 1 2 318.348 3.037 20 5 DGBDLO CO[C@H]1CCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413218500 230155861 /nfs/dbraw/zinc/15/58/61/230155861.db2.gz AUAOWMRBIIBMML-WFASDCNBSA-N 1 2 301.346 3.370 20 5 DGBDLO CC[N@H+](CCCNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000347664889 264263497 /nfs/dbraw/zinc/26/34/97/264263497.db2.gz FWRFRFATDRQLDI-UHFFFAOYSA-N 1 2 300.362 3.318 20 5 DGBDLO CC[N@@H+](CCCNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000347664889 264263501 /nfs/dbraw/zinc/26/35/01/264263501.db2.gz FWRFRFATDRQLDI-UHFFFAOYSA-N 1 2 300.362 3.318 20 5 DGBDLO COCC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000347938631 264310171 /nfs/dbraw/zinc/31/01/71/264310171.db2.gz WERINYMULQBFRO-ZDUSSCGKSA-N 1 2 308.309 3.194 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000352388667 265028145 /nfs/dbraw/zinc/02/81/45/265028145.db2.gz TYBNKDQTDCMPPV-RDJZCZTQSA-N 1 2 304.390 3.472 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000352388667 265028147 /nfs/dbraw/zinc/02/81/47/265028147.db2.gz TYBNKDQTDCMPPV-RDJZCZTQSA-N 1 2 304.390 3.472 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352441192 265050558 /nfs/dbraw/zinc/05/05/58/265050558.db2.gz UAEAJRBSAAWRHR-HZPDHXFCSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352441192 265050560 /nfs/dbraw/zinc/05/05/60/265050560.db2.gz UAEAJRBSAAWRHR-HZPDHXFCSA-N 1 2 320.364 3.267 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC(F)(F)F ZINC000352710745 265137165 /nfs/dbraw/zinc/13/71/65/265137165.db2.gz LEDSJHACOXMJLR-UHFFFAOYSA-N 1 2 306.284 3.378 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC(F)(F)F ZINC000352710745 265137170 /nfs/dbraw/zinc/13/71/70/265137170.db2.gz LEDSJHACOXMJLR-UHFFFAOYSA-N 1 2 306.284 3.378 20 5 DGBDLO CCc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C2CC2)cc1 ZINC000355801031 266189270 /nfs/dbraw/zinc/18/92/70/266189270.db2.gz MPKPXOLEAXGAFT-UHFFFAOYSA-N 1 2 314.389 3.055 20 5 DGBDLO CCc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C2CC2)cc1 ZINC000355801031 266189272 /nfs/dbraw/zinc/18/92/72/266189272.db2.gz MPKPXOLEAXGAFT-UHFFFAOYSA-N 1 2 314.389 3.055 20 5 DGBDLO Cc1ccc(Cc2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000356108960 266286344 /nfs/dbraw/zinc/28/63/44/266286344.db2.gz KBOFSWGHSQUXNM-BQYQJAHWSA-N 1 2 322.324 3.442 20 5 DGBDLO Cc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])s3)n2)c[nH+]1 ZINC000356140155 266298158 /nfs/dbraw/zinc/29/81/58/266298158.db2.gz SYMRRLUMTIMHDL-UHFFFAOYSA-N 1 2 302.315 3.001 20 5 DGBDLO CCC[NH+](CCC)CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356326176 266354618 /nfs/dbraw/zinc/35/46/18/266354618.db2.gz YPWRJBVZQNUOIS-UHFFFAOYSA-N 1 2 323.393 3.141 20 5 DGBDLO Cn1cc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000369906908 271328740 /nfs/dbraw/zinc/32/87/40/271328740.db2.gz CGEKLENTYNZUFC-GOSISDBHSA-N 1 2 322.368 3.208 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000427121095 277840051 /nfs/dbraw/zinc/84/00/51/277840051.db2.gz GNEPGMPECOKKPW-UHFFFAOYSA-N 1 2 315.329 3.176 20 5 DGBDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000106370986 278075398 /nfs/dbraw/zinc/07/53/98/278075398.db2.gz NAKOSFSJNHAAMX-UHFFFAOYSA-N 1 2 314.389 3.010 20 5 DGBDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332630938 279143558 /nfs/dbraw/zinc/14/35/58/279143558.db2.gz OTUZDTMXNBYFAL-SNVBAGLBSA-N 1 2 304.371 3.481 20 5 DGBDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332630938 279143561 /nfs/dbraw/zinc/14/35/61/279143561.db2.gz OTUZDTMXNBYFAL-SNVBAGLBSA-N 1 2 304.371 3.481 20 5 DGBDLO O=[N+]([O-])c1c(NCCCNc2cccc[nH+]2)ccc2ncccc21 ZINC000112074809 431248252 /nfs/dbraw/zinc/24/82/52/431248252.db2.gz DXWGVQLXMQTHRM-UHFFFAOYSA-N 1 2 323.356 3.452 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000007461211 431350102 /nfs/dbraw/zinc/35/01/02/431350102.db2.gz LRNYNAUBBIHQSM-UHFFFAOYSA-N 1 2 324.340 3.200 20 5 DGBDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000116894657 431534704 /nfs/dbraw/zinc/53/47/04/431534704.db2.gz GISRIICRJGSKMJ-INIZCTEOSA-N 1 2 316.357 3.112 20 5 DGBDLO Cc1ccc([C@@H]2COCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000116894657 431534710 /nfs/dbraw/zinc/53/47/10/431534710.db2.gz GISRIICRJGSKMJ-INIZCTEOSA-N 1 2 316.357 3.112 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCSC[C@@H]2C2CC2)c(F)c1 ZINC000451656258 280359135 /nfs/dbraw/zinc/35/91/35/280359135.db2.gz SQWPZDWGTPFQCW-CQSZACIVSA-N 1 2 314.357 3.200 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCSC[C@@H]2C2CC2)c(F)c1 ZINC000451656258 280359137 /nfs/dbraw/zinc/35/91/37/280359137.db2.gz SQWPZDWGTPFQCW-CQSZACIVSA-N 1 2 314.357 3.200 20 5 DGBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121186568 431750566 /nfs/dbraw/zinc/75/05/66/431750566.db2.gz LYUVAUZQKHHWPQ-YFCVBGDOSA-N 1 2 312.373 3.211 20 5 DGBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121186568 431750571 /nfs/dbraw/zinc/75/05/71/431750571.db2.gz LYUVAUZQKHHWPQ-YFCVBGDOSA-N 1 2 312.373 3.211 20 5 DGBDLO Cc1ccc2[nH+]c(CN3CCc4ccc([N+](=O)[O-])cc4C3)cn2c1 ZINC000088606376 431858923 /nfs/dbraw/zinc/85/89/23/431858923.db2.gz NQALQKYLCQOCLJ-UHFFFAOYSA-N 1 2 322.368 3.109 20 5 DGBDLO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C)o1 ZINC000125176346 431916636 /nfs/dbraw/zinc/91/66/36/431916636.db2.gz PMJPDRJLPVFFGU-UHFFFAOYSA-N 1 2 310.375 3.206 20 5 DGBDLO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C)o1 ZINC000125176346 431916639 /nfs/dbraw/zinc/91/66/39/431916639.db2.gz PMJPDRJLPVFFGU-UHFFFAOYSA-N 1 2 310.375 3.206 20 5 DGBDLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000045766633 431889462 /nfs/dbraw/zinc/88/94/62/431889462.db2.gz DYJQQYZLWUFGQD-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000184510232 432400137 /nfs/dbraw/zinc/40/01/37/432400137.db2.gz YXJKATCQINUSHG-ZDUSSCGKSA-N 1 2 310.737 3.055 20 5 DGBDLO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn[nH]c1C ZINC000271516728 432412931 /nfs/dbraw/zinc/41/29/31/432412931.db2.gz PSDKUFIXOCKXFF-CYBMUJFWSA-N 1 2 320.418 3.287 20 5 DGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])s1 ZINC000193366995 432467722 /nfs/dbraw/zinc/46/77/22/432467722.db2.gz AVVOTDVXBJOZHX-UHFFFAOYSA-N 1 2 314.326 3.094 20 5 DGBDLO Cc1c(C[NH2+][C@@H](CO)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000273160352 432558495 /nfs/dbraw/zinc/55/84/95/432558495.db2.gz ZJXIZIJDPDPIFV-AWEZNQCLSA-N 1 2 322.311 3.005 20 5 DGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000176959994 432569637 /nfs/dbraw/zinc/56/96/37/432569637.db2.gz QMHGAUODONBTQJ-UHFFFAOYSA-N 1 2 320.370 3.075 20 5 DGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000176959994 432569643 /nfs/dbraw/zinc/56/96/43/432569643.db2.gz QMHGAUODONBTQJ-UHFFFAOYSA-N 1 2 320.370 3.075 20 5 DGBDLO CCC[C@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194909127 432586466 /nfs/dbraw/zinc/58/64/66/432586466.db2.gz UYSPOHAQXDLYME-ZDUSSCGKSA-N 1 2 316.361 3.089 20 5 DGBDLO CCn1ccnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000195515185 432626359 /nfs/dbraw/zinc/62/63/59/432626359.db2.gz YCNRSHIIEOZUDV-UHFFFAOYSA-N 1 2 302.378 3.222 20 5 DGBDLO CCn1ccnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000195515185 432626361 /nfs/dbraw/zinc/62/63/61/432626361.db2.gz YCNRSHIIEOZUDV-UHFFFAOYSA-N 1 2 302.378 3.222 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2OCO3)c(Cl)c1 ZINC000237813342 432800749 /nfs/dbraw/zinc/80/07/49/432800749.db2.gz NHOATKZGVXGENY-UHFFFAOYSA-N 1 2 320.732 3.267 20 5 DGBDLO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290093351 432991302 /nfs/dbraw/zinc/99/13/02/432991302.db2.gz WBZOQJYQQNWGPS-JTQLQIEISA-N 1 2 305.161 3.122 20 5 DGBDLO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290093351 432991308 /nfs/dbraw/zinc/99/13/08/432991308.db2.gz WBZOQJYQQNWGPS-JTQLQIEISA-N 1 2 305.161 3.122 20 5 DGBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267906 433071805 /nfs/dbraw/zinc/07/18/05/433071805.db2.gz SPPOVFWGOVOSAD-JTQLQIEISA-N 1 2 300.318 3.257 20 5 DGBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267906 433071809 /nfs/dbraw/zinc/07/18/09/433071809.db2.gz SPPOVFWGOVOSAD-JTQLQIEISA-N 1 2 300.318 3.257 20 5 DGBDLO CC1=CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000280731986 433151882 /nfs/dbraw/zinc/15/18/82/433151882.db2.gz HBGPOQMVMKSDHH-LLVKDONJSA-N 1 2 323.780 3.227 20 5 DGBDLO CC1=CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000280731986 433151891 /nfs/dbraw/zinc/15/18/91/433151891.db2.gz HBGPOQMVMKSDHH-LLVKDONJSA-N 1 2 323.780 3.227 20 5 DGBDLO Cc1ccc2[nH+]c(CNc3c(F)cccc3[N+](=O)[O-])cn2c1 ZINC000341594853 433155910 /nfs/dbraw/zinc/15/59/10/433155910.db2.gz SRLCZHZGJIHLEC-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO COC(=O)[C@@H](C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000361655286 433322742 /nfs/dbraw/zinc/32/27/42/433322742.db2.gz ORWJVEFKWWHNHD-FWPCIQOSSA-N 1 2 318.373 3.024 20 5 DGBDLO COC(=O)[C@@H](C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000361655286 433322753 /nfs/dbraw/zinc/32/27/53/433322753.db2.gz ORWJVEFKWWHNHD-FWPCIQOSSA-N 1 2 318.373 3.024 20 5 DGBDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339080640 433346845 /nfs/dbraw/zinc/34/68/45/433346845.db2.gz BLLUNQFHSYGKHI-GFCCVEGCSA-N 1 2 314.341 3.084 20 5 DGBDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339080640 433346859 /nfs/dbraw/zinc/34/68/59/433346859.db2.gz BLLUNQFHSYGKHI-GFCCVEGCSA-N 1 2 314.341 3.084 20 5 DGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000339075851 433347970 /nfs/dbraw/zinc/34/79/70/433347970.db2.gz XGWDVPVAXZFLDZ-SECBINFHSA-N 1 2 308.284 3.429 20 5 DGBDLO CCc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000291763160 433342986 /nfs/dbraw/zinc/34/29/86/433342986.db2.gz MWWJYMPVOVUBJD-UHFFFAOYSA-N 1 2 309.753 3.397 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000339191288 433429459 /nfs/dbraw/zinc/42/94/59/433429459.db2.gz ZBXMSNNXQGUSRV-UHFFFAOYSA-N 1 2 323.352 3.463 20 5 DGBDLO COc1ccc(C[NH2+]Cc2cccc(O)c2Cl)cc1[N+](=O)[O-] ZINC000339211288 433442737 /nfs/dbraw/zinc/44/27/37/433442737.db2.gz XRGUUQIRDOLZJC-UHFFFAOYSA-N 1 2 322.748 3.252 20 5 DGBDLO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1csnn1 ZINC000414301406 433525584 /nfs/dbraw/zinc/52/55/84/433525584.db2.gz LZQMTDXEFNXHOQ-RNCFNFMXSA-N 1 2 304.375 3.175 20 5 DGBDLO Cc1cc(N2C[C@@H](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301453834 433561882 /nfs/dbraw/zinc/56/18/82/433561882.db2.gz RHQBEEDBPFQLIC-VXGBXAGGSA-N 1 2 312.373 3.452 20 5 DGBDLO Cc1cc(NCCc2ccccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000301471101 433569963 /nfs/dbraw/zinc/56/99/63/433569963.db2.gz SZBDFZATJJRSLV-UHFFFAOYSA-N 1 2 300.362 3.471 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@@H](CF)C3)o2)c1 ZINC000414466707 433633494 /nfs/dbraw/zinc/63/34/94/433633494.db2.gz BYPAWOAOMQDGKY-HNNXBMFYSA-N 1 2 320.320 3.025 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@@H](CF)C3)o2)c1 ZINC000414466707 433633504 /nfs/dbraw/zinc/63/35/04/433633504.db2.gz BYPAWOAOMQDGKY-HNNXBMFYSA-N 1 2 320.320 3.025 20 5 DGBDLO Cc1cc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000292765578 433595249 /nfs/dbraw/zinc/59/52/49/433595249.db2.gz WIGQGANYJVPLNK-LBPRGKRZSA-N 1 2 304.325 3.497 20 5 DGBDLO Cc1ccc(F)c(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000356523656 433602449 /nfs/dbraw/zinc/60/24/49/433602449.db2.gz MLESFMFGVGYUGW-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1ccc(F)c(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000356523656 433602459 /nfs/dbraw/zinc/60/24/59/433602459.db2.gz MLESFMFGVGYUGW-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1nc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000301638537 433652898 /nfs/dbraw/zinc/65/28/98/433652898.db2.gz LLOOQMGWFBRBLY-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)cc1 ZINC000301695289 433681709 /nfs/dbraw/zinc/68/17/09/433681709.db2.gz AVQPKDMRYOOTGH-UHFFFAOYSA-N 1 2 300.293 3.265 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1F ZINC000283200069 433690866 /nfs/dbraw/zinc/69/08/66/433690866.db2.gz RILLMGBWTYUXKP-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1F ZINC000283200069 433690874 /nfs/dbraw/zinc/69/08/74/433690874.db2.gz RILLMGBWTYUXKP-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO Cc1ccnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000339654419 433706098 /nfs/dbraw/zinc/70/60/98/433706098.db2.gz WCCDVIMPNZRDTB-UHFFFAOYSA-N 1 2 300.362 3.104 20 5 DGBDLO Cc1ccnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000339654419 433706108 /nfs/dbraw/zinc/70/61/08/433706108.db2.gz WCCDVIMPNZRDTB-UHFFFAOYSA-N 1 2 300.362 3.104 20 5 DGBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC000351759287 433706646 /nfs/dbraw/zinc/70/66/46/433706646.db2.gz RVJPQPRSRDXXKJ-SECBINFHSA-N 1 2 308.284 3.429 20 5 DGBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000373715072 293309284 /nfs/dbraw/zinc/30/92/84/293309284.db2.gz ZPQWRLROUHUENQ-CYBMUJFWSA-N 1 2 309.329 3.208 20 5 DGBDLO O=[N+]([O-])c1ccsc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301927589 433799876 /nfs/dbraw/zinc/79/98/76/433799876.db2.gz IEOOZIWHZIQCKJ-UHFFFAOYSA-N 1 2 300.343 3.454 20 5 DGBDLO C[C@@H]1SCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352027819 433872355 /nfs/dbraw/zinc/87/23/55/433872355.db2.gz PGMJOFNAHLXQHA-IUCAKERBSA-N 1 2 302.346 3.199 20 5 DGBDLO C[C@@H]1SCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352027819 433872362 /nfs/dbraw/zinc/87/23/62/433872362.db2.gz PGMJOFNAHLXQHA-IUCAKERBSA-N 1 2 302.346 3.199 20 5 DGBDLO CC[C@@H](C)[C@@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413143538 293882003 /nfs/dbraw/zinc/88/20/03/293882003.db2.gz SEHGGOWRMQOJEY-BZNIZROVSA-N 1 2 303.362 3.352 20 5 DGBDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363449711 434062203 /nfs/dbraw/zinc/06/22/03/434062203.db2.gz MOYOTWMKQPNTCP-SMDDNHRTSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363449711 434062212 /nfs/dbraw/zinc/06/22/12/434062212.db2.gz MOYOTWMKQPNTCP-SMDDNHRTSA-N 1 2 318.352 3.051 20 5 DGBDLO C[N@H+](CCOc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505582523 294243846 /nfs/dbraw/zinc/24/38/46/294243846.db2.gz STRYCGZVLANYIK-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO C[N@@H+](CCOc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505582523 294243847 /nfs/dbraw/zinc/24/38/47/294243847.db2.gz STRYCGZVLANYIK-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO CCOC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)C ZINC000509152773 294341515 /nfs/dbraw/zinc/34/15/15/294341515.db2.gz KMDBHVCYDIRCIB-CLFYSBASSA-N 1 2 320.389 3.129 20 5 DGBDLO CCOC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)C ZINC000509152773 294341517 /nfs/dbraw/zinc/34/15/17/294341517.db2.gz KMDBHVCYDIRCIB-CLFYSBASSA-N 1 2 320.389 3.129 20 5 DGBDLO CCOC(=O)C[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000510206305 294378113 /nfs/dbraw/zinc/37/81/13/294378113.db2.gz HHCQCJIWPOIIPZ-UHFFFAOYSA-N 1 2 322.405 3.492 20 5 DGBDLO CCOC(=O)C[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000510206305 294378114 /nfs/dbraw/zinc/37/81/14/294378114.db2.gz HHCQCJIWPOIIPZ-UHFFFAOYSA-N 1 2 322.405 3.492 20 5 DGBDLO Cc1cccc2[nH+]c(CN3CCc4c3cccc4[N+](=O)[O-])cn21 ZINC000353551838 434222802 /nfs/dbraw/zinc/22/28/02/434222802.db2.gz WLWIWXOWOJXXPC-UHFFFAOYSA-N 1 2 308.341 3.114 20 5 DGBDLO CCC[C@H]([NH2+]Cc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000391933990 434384013 /nfs/dbraw/zinc/38/40/13/434384013.db2.gz JAFOHKSWCXIWOS-ZDUSSCGKSA-N 1 2 306.391 3.386 20 5 DGBDLO CCOc1cc(N[C@@H](C)c2[nH+]ccn2CC)ccc1[N+](=O)[O-] ZINC000450835047 434432017 /nfs/dbraw/zinc/43/20/17/434432017.db2.gz WGPXSGGTTSAOEW-NSHDSACASA-N 1 2 304.350 3.383 20 5 DGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1c[nH+]c(C)cc1C ZINC000450913980 434481405 /nfs/dbraw/zinc/48/14/05/434481405.db2.gz WDBKAGCEUWFYRY-UHFFFAOYSA-N 1 2 301.346 3.365 20 5 DGBDLO COc1cc(NCc2cn3ccc(C)cc3[nH+]2)ccc1[N+](=O)[O-] ZINC000360224016 434554031 /nfs/dbraw/zinc/55/40/31/434554031.db2.gz FDNYGWWLYOQJHX-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000527054665 295074026 /nfs/dbraw/zinc/07/40/26/295074026.db2.gz CDURQKQXDVLRBH-INDWDQIESA-N 1 2 314.345 3.218 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000527054665 295074028 /nfs/dbraw/zinc/07/40/28/295074028.db2.gz CDURQKQXDVLRBH-INDWDQIESA-N 1 2 314.345 3.218 20 5 DGBDLO CCc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000349004083 434574663 /nfs/dbraw/zinc/57/46/63/434574663.db2.gz ALDWIMMZDXELBU-UHFFFAOYSA-N 1 2 310.313 3.057 20 5 DGBDLO CCOC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000459576388 434616754 /nfs/dbraw/zinc/61/67/54/434616754.db2.gz BATUCDRLOJMSDX-UHFFFAOYSA-N 1 2 302.330 3.076 20 5 DGBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000459594848 434623547 /nfs/dbraw/zinc/62/35/47/434623547.db2.gz PVMRGPQAKJCXKF-UHFFFAOYSA-N 1 2 320.368 3.126 20 5 DGBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000459594848 434623556 /nfs/dbraw/zinc/62/35/56/434623556.db2.gz PVMRGPQAKJCXKF-UHFFFAOYSA-N 1 2 320.368 3.126 20 5 DGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459740467 434686705 /nfs/dbraw/zinc/68/67/05/434686705.db2.gz UJITVJOBVKJONS-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459740467 434686713 /nfs/dbraw/zinc/68/67/13/434686713.db2.gz UJITVJOBVKJONS-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO CCn1c2ccccc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000460666294 434765862 /nfs/dbraw/zinc/76/58/62/434765862.db2.gz DMOLYTUDRYMRHR-UHFFFAOYSA-N 1 2 314.320 3.716 20 5 DGBDLO COc1cc(NCc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000361024796 434771015 /nfs/dbraw/zinc/77/10/15/434771015.db2.gz DMWADUZMWWIPIJ-UHFFFAOYSA-N 1 2 324.340 3.401 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000445850510 434830773 /nfs/dbraw/zinc/83/07/73/434830773.db2.gz XESJGYILFFWGOH-NSHDSACASA-N 1 2 303.387 3.479 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2ncsc2C1 ZINC000445850510 434830776 /nfs/dbraw/zinc/83/07/76/434830776.db2.gz XESJGYILFFWGOH-NSHDSACASA-N 1 2 303.387 3.479 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555071762 434957411 /nfs/dbraw/zinc/95/74/11/434957411.db2.gz VNFPGCGZYQXDDJ-QMMMGPOBSA-N 1 2 306.696 3.062 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555071762 434957418 /nfs/dbraw/zinc/95/74/18/434957418.db2.gz VNFPGCGZYQXDDJ-QMMMGPOBSA-N 1 2 306.696 3.062 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCn3cccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492482829 434993005 /nfs/dbraw/zinc/99/30/05/434993005.db2.gz ILKZZMANHNGGCP-ZDUSSCGKSA-N 1 2 315.373 3.372 20 5 DGBDLO CCOc1cc(C[N@H+]2CCn3cccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492482829 434993007 /nfs/dbraw/zinc/99/30/07/434993007.db2.gz ILKZZMANHNGGCP-ZDUSSCGKSA-N 1 2 315.373 3.372 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCn3cccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000492482828 434993320 /nfs/dbraw/zinc/99/33/20/434993320.db2.gz ILKZZMANHNGGCP-CYBMUJFWSA-N 1 2 315.373 3.372 20 5 DGBDLO CCOc1cc(C[N@H+]2CCn3cccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000492482828 434993324 /nfs/dbraw/zinc/99/33/24/434993324.db2.gz ILKZZMANHNGGCP-CYBMUJFWSA-N 1 2 315.373 3.372 20 5 DGBDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000467513589 435122949 /nfs/dbraw/zinc/12/29/49/435122949.db2.gz NTJNZUKUZMSNAE-CYBMUJFWSA-N 1 2 322.405 3.492 20 5 DGBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000467513589 435122952 /nfs/dbraw/zinc/12/29/52/435122952.db2.gz NTJNZUKUZMSNAE-CYBMUJFWSA-N 1 2 322.405 3.492 20 5 DGBDLO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000572423801 435824566 /nfs/dbraw/zinc/82/45/66/435824566.db2.gz MWRMBMAJPUVTOA-LBPRGKRZSA-N 1 2 316.361 3.098 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000552146614 435887131 /nfs/dbraw/zinc/88/71/31/435887131.db2.gz QKLWPPZEKGEYKM-ZKCZIEJHSA-N 1 2 314.385 3.251 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000552146614 435887135 /nfs/dbraw/zinc/88/71/35/435887135.db2.gz QKLWPPZEKGEYKM-ZKCZIEJHSA-N 1 2 314.385 3.251 20 5 DGBDLO Cn1ccnc1[C@H]([NH2+]CCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000296025555 303003836 /nfs/dbraw/zinc/00/38/36/303003836.db2.gz MSNZJXRNSLFKNW-CYBMUJFWSA-N 1 2 324.331 3.053 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(F)c3F)nc2c1 ZINC000562487689 315023596 /nfs/dbraw/zinc/02/35/96/315023596.db2.gz DXCOPSMTSPZCIT-UHFFFAOYSA-N 1 2 318.283 3.039 20 5 DGBDLO Cc1cc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000564814863 315202076 /nfs/dbraw/zinc/20/20/76/315202076.db2.gz HNBFENZJBXUAEX-CYBMUJFWSA-N 1 2 313.357 3.027 20 5 DGBDLO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000337182816 525564558 /nfs/dbraw/zinc/56/45/58/525564558.db2.gz NIQFTGXGFKVFOK-CYBMUJFWSA-N 1 2 323.356 3.026 20 5 DGBDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000729987185 575268998 /nfs/dbraw/zinc/26/89/98/575268998.db2.gz FWXIAAWAJKNCKV-UHFFFAOYSA-N 1 2 319.748 3.489 20 5 DGBDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000729985472 575269098 /nfs/dbraw/zinc/26/90/98/575269098.db2.gz JTCZSNDCNJHREU-UHFFFAOYSA-N 1 2 319.748 3.489 20 5 DGBDLO O=C(Nc1cccc2[nH+]ccn21)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750197797 575711480 /nfs/dbraw/zinc/71/14/80/575711480.db2.gz HEJLZUMBDYZXMA-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000751481792 575786742 /nfs/dbraw/zinc/78/67/42/575786742.db2.gz JWOIQHGCKLOVCN-INIZCTEOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000751481792 575786743 /nfs/dbraw/zinc/78/67/43/575786743.db2.gz JWOIQHGCKLOVCN-INIZCTEOSA-N 1 2 301.321 3.466 20 5 DGBDLO CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033243807 620661055 /nfs/dbraw/zinc/66/10/55/620661055.db2.gz NZMVVXZOVJXGPW-UHFFFAOYSA-N 1 2 316.361 3.091 20 5 DGBDLO CC/C=C\CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000918510120 620711606 /nfs/dbraw/zinc/71/16/06/620711606.db2.gz ZYBIGUXNUHQECY-ARJAWSKDSA-N 1 2 315.329 3.294 20 5 DGBDLO Cc1c(C[N@@H+]2CCc3nc[nH]c3C23CCC3)cccc1[N+](=O)[O-] ZINC000895068557 618526186 /nfs/dbraw/zinc/52/61/86/618526186.db2.gz FOAXITIZDNYZCY-UHFFFAOYSA-N 1 2 312.373 3.064 20 5 DGBDLO Cc1c(C[N@H+]2CCc3nc[nH]c3C23CCC3)cccc1[N+](=O)[O-] ZINC000895068557 618526189 /nfs/dbraw/zinc/52/61/89/618526189.db2.gz FOAXITIZDNYZCY-UHFFFAOYSA-N 1 2 312.373 3.064 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2c2ncc(Cl)cc2[N+](=O)[O-])[nH+]c1C ZINC000895191939 618571536 /nfs/dbraw/zinc/57/15/36/618571536.db2.gz CZECPBIDNMOJBG-NSHDSACASA-N 1 2 321.768 3.325 20 5 DGBDLO Cc1cc(N2CCC(Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])s1 ZINC000895349861 618600557 /nfs/dbraw/zinc/60/05/57/618600557.db2.gz OVROPFDSXFLOMJ-UHFFFAOYSA-N 1 2 318.402 3.441 20 5 DGBDLO COCc1cc[nH+]c(N[C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)c1 ZINC000903196152 619734441 /nfs/dbraw/zinc/73/44/41/619734441.db2.gz INNNYMKECQJUNG-LLVKDONJSA-N 1 2 317.345 3.318 20 5 DGBDLO COc1cc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)cc([N+](=O)[O-])c1 ZINC000903187156 619736902 /nfs/dbraw/zinc/73/69/02/619736902.db2.gz QYZNHRAJQUBQFM-PGUXBMHVSA-N 1 2 316.361 3.157 20 5 DGBDLO Cc1c([C@@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000903332239 619762726 /nfs/dbraw/zinc/76/27/26/619762726.db2.gz MBRAAFFWSWJWHK-MLGOLLRUSA-N 1 2 312.373 3.495 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1Cl ZINC000922580832 621061118 /nfs/dbraw/zinc/06/11/18/621061118.db2.gz FKCQSYWMMYWPMY-CQSZACIVSA-N 1 2 318.764 3.279 20 5 DGBDLO CCc1ccc(C2CC[NH+](Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000863326815 621663364 /nfs/dbraw/zinc/66/33/64/621663364.db2.gz VDBDYPMNAPJOIA-UHFFFAOYSA-N 1 2 314.389 3.191 20 5 DGBDLO CC[N@H+](Cc1occc1C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839663508 621705812 /nfs/dbraw/zinc/70/58/12/621705812.db2.gz SGJRESHSIJQTOR-UHFFFAOYSA-N 1 2 319.317 3.427 20 5 DGBDLO CC[N@@H+](Cc1occc1C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839663508 621705814 /nfs/dbraw/zinc/70/58/14/621705814.db2.gz SGJRESHSIJQTOR-UHFFFAOYSA-N 1 2 319.317 3.427 20 5 DGBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCCC4(CC4)C3)c2c(Cl)c1 ZINC000769799044 622561270 /nfs/dbraw/zinc/56/12/70/622561270.db2.gz RCCQFKGXGJHEAC-UHFFFAOYSA-N 1 2 320.780 3.431 20 5 DGBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCCC4(CC4)C3)c2c(Cl)c1 ZINC000769799044 622561273 /nfs/dbraw/zinc/56/12/73/622561273.db2.gz RCCQFKGXGJHEAC-UHFFFAOYSA-N 1 2 320.780 3.431 20 5 DGBDLO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034875 622765844 /nfs/dbraw/zinc/76/58/44/622765844.db2.gz LTUNXRJVRBBILW-BXUZGUMPSA-N 1 2 304.321 3.118 20 5 DGBDLO CCn1ccnc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872074474 622791500 /nfs/dbraw/zinc/79/15/00/622791500.db2.gz DZGKERQXRYESDM-NSHDSACASA-N 1 2 320.418 3.384 20 5 DGBDLO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000775577574 623292877 /nfs/dbraw/zinc/29/28/77/623292877.db2.gz PSAQNOZDBYBUBE-JTQLQIEISA-N 1 2 319.292 3.493 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc2[nH+]ccn21 ZINC000776794802 623464172 /nfs/dbraw/zinc/46/41/72/623464172.db2.gz MGCKYGCYVJTJBA-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000876790500 623706587 /nfs/dbraw/zinc/70/65/87/623706587.db2.gz LDHPUKNOTBKYHR-KRWDZBQOSA-N 1 2 316.357 3.378 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000876790500 623706590 /nfs/dbraw/zinc/70/65/90/623706590.db2.gz LDHPUKNOTBKYHR-KRWDZBQOSA-N 1 2 316.357 3.378 20 5 DGBDLO CC[C@H]1c2ccccc2CC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779866317 623824298 /nfs/dbraw/zinc/82/42/98/623824298.db2.gz WDAJTCHSBBKIPF-HNNXBMFYSA-N 1 2 300.362 3.067 20 5 DGBDLO CC[C@H]1c2ccccc2CC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779866317 623824301 /nfs/dbraw/zinc/82/43/01/623824301.db2.gz WDAJTCHSBBKIPF-HNNXBMFYSA-N 1 2 300.362 3.067 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000779890628 623827964 /nfs/dbraw/zinc/82/79/64/623827964.db2.gz XQEFZYAJOAFVFO-ZBTGYSDGSA-N 1 2 312.373 3.235 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000779890628 623827973 /nfs/dbraw/zinc/82/79/73/623827973.db2.gz XQEFZYAJOAFVFO-ZBTGYSDGSA-N 1 2 312.373 3.235 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)ccc1Cl ZINC000781353426 624059863 /nfs/dbraw/zinc/05/98/63/624059863.db2.gz IYQPYNXBSNDDTE-JTQLQIEISA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)ccc1Cl ZINC000781353426 624059868 /nfs/dbraw/zinc/05/98/68/624059868.db2.gz IYQPYNXBSNDDTE-JTQLQIEISA-N 1 2 320.723 3.452 20 5 DGBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880107690 624791364 /nfs/dbraw/zinc/79/13/64/624791364.db2.gz YHJPIQSONQIKKV-JTQLQIEISA-N 1 2 306.753 3.197 20 5 DGBDLO CC1=C[C@@H](C)C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000797418212 626141429 /nfs/dbraw/zinc/14/14/29/626141429.db2.gz WUOIJIKLPGMWRY-SNVBAGLBSA-N 1 2 320.780 3.453 20 5 DGBDLO CC1=C[C@@H](C)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000797418212 626141431 /nfs/dbraw/zinc/14/14/31/626141431.db2.gz WUOIJIKLPGMWRY-SNVBAGLBSA-N 1 2 320.780 3.453 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)ccc1Cl ZINC000801987984 626428745 /nfs/dbraw/zinc/42/87/45/626428745.db2.gz GHONSDWHPSOZRQ-VIFPVBQESA-N 1 2 306.696 3.062 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](OC(F)F)C2)ccc1Cl ZINC000801987984 626428747 /nfs/dbraw/zinc/42/87/47/626428747.db2.gz GHONSDWHPSOZRQ-VIFPVBQESA-N 1 2 306.696 3.062 20 5 DGBDLO CC[C@H](c1ccncc1)[N@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000131518413 626646665 /nfs/dbraw/zinc/64/66/65/626646665.db2.gz OKUUFICVLMJRLQ-OAHLLOKOSA-N 1 2 317.393 3.234 20 5 DGBDLO CC[C@H](c1ccncc1)[N@@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000131518413 626646667 /nfs/dbraw/zinc/64/66/67/626646667.db2.gz OKUUFICVLMJRLQ-OAHLLOKOSA-N 1 2 317.393 3.234 20 5 DGBDLO CC(C)Oc1cccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000886087714 627100881 /nfs/dbraw/zinc/10/08/81/627100881.db2.gz ZTZNEFJHEMDNGA-UHFFFAOYSA-N 1 2 315.373 3.409 20 5 DGBDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000886087714 627100884 /nfs/dbraw/zinc/10/08/84/627100884.db2.gz ZTZNEFJHEMDNGA-UHFFFAOYSA-N 1 2 315.373 3.409 20 5 DGBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625895 627692320 /nfs/dbraw/zinc/69/23/20/627692320.db2.gz PIZNNZMYSUFTSE-IUCAKERBSA-N 1 2 322.315 3.262 20 5 DGBDLO Cc1cc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000823734188 628591819 /nfs/dbraw/zinc/59/18/19/628591819.db2.gz DTPPVHYBZYIZBZ-UHFFFAOYSA-N 1 2 313.357 3.153 20 5 DGBDLO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c2nccn21 ZINC000825017691 628716694 /nfs/dbraw/zinc/71/66/94/628716694.db2.gz XHCMZZIGYLSEQZ-CABZTGNLSA-N 1 2 306.753 3.240 20 5 DGBDLO C[C@@H](CC(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000844336080 630719893 /nfs/dbraw/zinc/71/98/93/630719893.db2.gz KARSMVQBKBNFNX-RYUDHWBXSA-N 1 2 303.318 3.047 20 5 DGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844392653 630724197 /nfs/dbraw/zinc/72/41/97/630724197.db2.gz LEFPUXZFLROCPA-JTQLQIEISA-N 1 2 322.752 3.343 20 5 DGBDLO C[C@H](CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845285016 631160614 /nfs/dbraw/zinc/16/06/14/631160614.db2.gz POVFABNNJFMJCI-NEPJUHHUSA-N 1 2 303.318 3.047 20 5 DGBDLO Cn1c(Cl)ncc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000848880141 631768261 /nfs/dbraw/zinc/76/82/61/631768261.db2.gz ASBMVLXKJPLWES-UHFFFAOYSA-N 1 2 320.780 3.146 20 5 DGBDLO Cn1c(Cl)ncc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000848880141 631768263 /nfs/dbraw/zinc/76/82/63/631768263.db2.gz ASBMVLXKJPLWES-UHFFFAOYSA-N 1 2 320.780 3.146 20 5 DGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CC1CC1)CC2 ZINC000792900522 660992711 /nfs/dbraw/zinc/99/27/11/660992711.db2.gz XHKCZOXOHOMAHR-UHFFFAOYSA-N 1 2 311.179 3.125 20 5 DGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CC1CC1)CC2 ZINC000792900522 660992712 /nfs/dbraw/zinc/99/27/12/660992712.db2.gz XHKCZOXOHOMAHR-UHFFFAOYSA-N 1 2 311.179 3.125 20 5 DGBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000794684682 661098382 /nfs/dbraw/zinc/09/83/82/661098382.db2.gz YBYQXBVZWRQJGA-UHFFFAOYSA-N 1 2 320.780 3.282 20 5 DGBDLO Cc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000171299485 659272324 /nfs/dbraw/zinc/27/23/24/659272324.db2.gz LHPCVPOTFXRFBQ-UHFFFAOYSA-N 1 2 323.308 3.308 20 5 DGBDLO O=C(OC1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000042485334 661840599 /nfs/dbraw/zinc/84/05/99/661840599.db2.gz VOEAZLCQGVRWRU-UHFFFAOYSA-N 1 2 315.329 3.270 20 5 DGBDLO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC001344075999 1179375883 /nfs/dbraw/zinc/37/58/83/1179375883.db2.gz QUNWNBDAEIQODM-CQSZACIVSA-N 1 2 300.362 3.006 20 5 DGBDLO Cc1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC001344075999 1179375891 /nfs/dbraw/zinc/37/58/91/1179375891.db2.gz QUNWNBDAEIQODM-CQSZACIVSA-N 1 2 300.362 3.006 20 5 DGBDLO Cc1cc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc(C)[nH+]1 ZINC001458442394 1182524242 /nfs/dbraw/zinc/52/42/42/1182524242.db2.gz BNPYENBXBJSDQZ-UHFFFAOYSA-N 1 2 309.329 3.162 20 5 DGBDLO Cc1cc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001472808897 1183683788 /nfs/dbraw/zinc/68/37/88/1183683788.db2.gz FZARXBDPOBEPTJ-UHFFFAOYSA-N 1 2 302.290 3.127 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001474193482 1183880454 /nfs/dbraw/zinc/88/04/54/1183880454.db2.gz MCVIYFGDDKPAOZ-UHFFFAOYSA-N 1 2 312.329 3.482 20 5 DGBDLO COc1cc(NCCNc2cccc[nH+]2)c(Cl)cc1[N+](=O)[O-] ZINC001611740002 1193440930 /nfs/dbraw/zinc/44/09/30/1193440930.db2.gz VEJMOCOJDBVDBD-UHFFFAOYSA-N 1 2 322.752 3.176 20 5 DGBDLO Cc1cc(C)c(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c[nH+]1 ZINC001528513172 1187495191 /nfs/dbraw/zinc/49/51/91/1187495191.db2.gz CRTDJBWWUYKLMH-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO Cc1cc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001529059592 1187529107 /nfs/dbraw/zinc/52/91/07/1187529107.db2.gz CPXFLNRRHZGCBJ-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO CCNc1nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC001560132326 1189282103 /nfs/dbraw/zinc/28/21/03/1189282103.db2.gz WQODNPYAXVOUDO-SNVBAGLBSA-N 1 2 306.391 3.334 20 5 DGBDLO CCCn1cncc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001560638853 1189354423 /nfs/dbraw/zinc/35/44/23/1189354423.db2.gz MJEIXHDTYBTUPE-UHFFFAOYSA-N 1 2 314.389 3.366 20 5 DGBDLO CCCn1cncc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001560638853 1189354428 /nfs/dbraw/zinc/35/44/28/1189354428.db2.gz MJEIXHDTYBTUPE-UHFFFAOYSA-N 1 2 314.389 3.366 20 5 DGBDLO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001643071459 1194965778 /nfs/dbraw/zinc/96/57/78/1194965778.db2.gz MGJDLUQPQCLDBM-CQSZACIVSA-N 1 2 318.764 3.242 20 5 DGBDLO C[N@H+]1Cc2ccccc2[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001643071459 1194965782 /nfs/dbraw/zinc/96/57/82/1194965782.db2.gz MGJDLUQPQCLDBM-CQSZACIVSA-N 1 2 318.764 3.242 20 5 DGBDLO CO[C@@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC001644731350 1195130375 /nfs/dbraw/zinc/13/03/75/1195130375.db2.gz QXRGRVJTLGRXIZ-KRWDZBQOSA-N 1 2 316.332 3.437 20 5 DGBDLO CO[C@@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC001644731350 1195130377 /nfs/dbraw/zinc/13/03/77/1195130377.db2.gz QXRGRVJTLGRXIZ-KRWDZBQOSA-N 1 2 316.332 3.437 20 5 DGBDLO O=[N+]([O-])c1c(NCc2[nH]c3c([nH+]2)CCCC3)ccc2cnccc21 ZINC001651451546 1195464495 /nfs/dbraw/zinc/46/44/95/1195464495.db2.gz OAGSSAATURCYGN-UHFFFAOYSA-N 1 2 323.356 3.357 20 5 DGBDLO CN(C)c1cc[nH+]c(CNc2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC001652234037 1195566711 /nfs/dbraw/zinc/56/67/11/1195566711.db2.gz LQCYPNSDVVAYBW-UHFFFAOYSA-N 1 2 323.356 3.216 20 5 DGBDLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC001653056190 1195684672 /nfs/dbraw/zinc/68/46/72/1195684672.db2.gz OZYDDTWCWZQYQG-ZDUSSCGKSA-N 1 2 323.356 3.026 20 5 DGBDLO Nc1nc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] ZINC001155959651 1089315502 /nfs/dbraw/zinc/31/55/02/1089315502.db2.gz MEYBGTSGNAKZJE-UHFFFAOYSA-N 1 2 315.377 3.178 20 5 DGBDLO O=[N+]([O-])c1ccc2ccnc(NCc3ccc4[nH+]ccn4c3)c2c1 ZINC001163139422 1090088893 /nfs/dbraw/zinc/08/88/93/1090088893.db2.gz OUBFABHXPXMCPC-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO Cc1cccn2c(CN3Cc4ccc([N+](=O)[O-])cc4C3)c[nH+]c12 ZINC001337042405 1094829785 /nfs/dbraw/zinc/82/97/85/1094829785.db2.gz LKHUIGCAXDJDDV-UHFFFAOYSA-N 1 2 308.341 3.067 20 5 DGBDLO Cc1c([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cnn1C ZINC001119002108 1096121959 /nfs/dbraw/zinc/12/19/59/1096121959.db2.gz FERWLFWGEILYOJ-UWVGGRQHSA-N 1 2 306.341 3.188 20 5 DGBDLO CC(C)(C)[NH+]1CC(Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226909382 1096813809 /nfs/dbraw/zinc/81/38/09/1096813809.db2.gz TVPLKXQPFBBEFM-UHFFFAOYSA-N 1 2 302.733 3.249 20 5 DGBDLO Cc1cc(OC2C[NH+](Cc3ccccc3)C2)cc(C)c1[N+](=O)[O-] ZINC001229466715 1097326906 /nfs/dbraw/zinc/32/69/06/1097326906.db2.gz VRTBRSNJBWBWRV-UHFFFAOYSA-N 1 2 312.369 3.475 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](F)C2)c1F ZINC001173188499 1097357884 /nfs/dbraw/zinc/35/78/84/1097357884.db2.gz FURGXQDNSWUFFY-WDEREUQCSA-N 1 2 314.332 3.107 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H](F)C2)c1F ZINC001173188499 1097357888 /nfs/dbraw/zinc/35/78/88/1097357888.db2.gz FURGXQDNSWUFFY-WDEREUQCSA-N 1 2 314.332 3.107 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H]2CF)c1F ZINC001173194647 1097358783 /nfs/dbraw/zinc/35/87/83/1097358783.db2.gz XMUSWTNWRZNYOQ-GHMZBOCLSA-N 1 2 314.332 3.107 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@H]2CF)c1F ZINC001173194647 1097358787 /nfs/dbraw/zinc/35/87/87/1097358787.db2.gz XMUSWTNWRZNYOQ-GHMZBOCLSA-N 1 2 314.332 3.107 20 5 DGBDLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214847 1097366998 /nfs/dbraw/zinc/36/69/98/1097366998.db2.gz QVUITUZBUFYPIK-BBRMVZONSA-N 1 2 322.405 3.093 20 5 DGBDLO c1cnc2c(c1)ccc1ccc(C[N@H+](C3CC3)C3COC3)nc12 ZINC001232223748 1097973407 /nfs/dbraw/zinc/97/34/07/1097973407.db2.gz VLEXVBNEVNWSGC-UHFFFAOYSA-N 1 2 305.381 3.146 20 5 DGBDLO c1cnc2c(c1)ccc1ccc(C[N@@H+](C3CC3)C3COC3)nc12 ZINC001232223748 1097973410 /nfs/dbraw/zinc/97/34/10/1097973410.db2.gz VLEXVBNEVNWSGC-UHFFFAOYSA-N 1 2 305.381 3.146 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001176648720 1098409059 /nfs/dbraw/zinc/40/90/59/1098409059.db2.gz FIWNBEVEKVJORI-GUYCJALGSA-N 1 2 302.374 3.311 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001176648720 1098409062 /nfs/dbraw/zinc/40/90/62/1098409062.db2.gz FIWNBEVEKVJORI-GUYCJALGSA-N 1 2 302.374 3.311 20 5 DGBDLO COc1cc(NCc2c[nH]c(C(C)C)[nH+]2)c([N+](=O)[O-])cc1OC ZINC001187725068 1099588047 /nfs/dbraw/zinc/58/80/47/1099588047.db2.gz YJXHHGGJFPMPFV-UHFFFAOYSA-N 1 2 320.349 3.071 20 5 DGBDLO COc1cc(NCc2c[nH+]c(C(C)C)[nH]2)c([N+](=O)[O-])cc1OC ZINC001187725068 1099588058 /nfs/dbraw/zinc/58/80/58/1099588058.db2.gz YJXHHGGJFPMPFV-UHFFFAOYSA-N 1 2 320.349 3.071 20 5 DGBDLO COc1cc(C)[nH+]c(CSCc2onc(C)c2[N+](=O)[O-])c1 ZINC001328041062 1103812723 /nfs/dbraw/zinc/81/27/23/1103812723.db2.gz YWZJCCDFOWZUPR-UHFFFAOYSA-N 1 2 309.347 3.037 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1noc(C)n1 ZINC001329850546 1104400562 /nfs/dbraw/zinc/40/05/62/1104400562.db2.gz PXZZRDIGCVOZNE-ZJRUKIMVSA-N 1 2 302.334 3.040 20 5 DGBDLO CC(C)(CCc1[nH]c2ccc(N3CCCC3)cc2[nH+]1)[N+](=O)[O-] ZINC001250597852 1105545618 /nfs/dbraw/zinc/54/56/18/1105545618.db2.gz VXWXFJRDHFXMEQ-UHFFFAOYSA-N 1 2 302.378 3.151 20 5 DGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)C1(C)C ZINC001319581984 1108538041 /nfs/dbraw/zinc/53/80/41/1108538041.db2.gz QGFVAYDDHZIPPS-LLVKDONJSA-N 1 2 305.378 3.042 20 5 DGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)C1(C)C ZINC001319581984 1108538051 /nfs/dbraw/zinc/53/80/51/1108538051.db2.gz QGFVAYDDHZIPPS-LLVKDONJSA-N 1 2 305.378 3.042 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)Nc3cc(C)cc([N+](=O)[O-])c3)ccn12 ZINC001289785485 1110219705 /nfs/dbraw/zinc/21/97/05/1110219705.db2.gz CEOXOFQAGKQAJE-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO C[N@H+](CCC(F)(F)F)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434833722 529874673 /nfs/dbraw/zinc/87/46/73/529874673.db2.gz YHSXIXOONBCTFS-UHFFFAOYSA-N 1 2 303.240 3.120 20 5 DGBDLO C[N@@H+](CCC(F)(F)F)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434833722 529874674 /nfs/dbraw/zinc/87/46/74/529874674.db2.gz YHSXIXOONBCTFS-UHFFFAOYSA-N 1 2 303.240 3.120 20 5 DGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103966760 432014165 /nfs/dbraw/zinc/01/41/65/432014165.db2.gz QHDORJMPUNCLAF-UHFFFAOYSA-N 1 2 322.324 3.166 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000179681504 186204672 /nfs/dbraw/zinc/20/46/72/186204672.db2.gz HBNMRTOKGORPIN-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000179681504 186204674 /nfs/dbraw/zinc/20/46/74/186204674.db2.gz HBNMRTOKGORPIN-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])s1 ZINC000170892352 432086622 /nfs/dbraw/zinc/08/66/22/432086622.db2.gz VZLWMEKDWLKART-UHFFFAOYSA-N 1 2 314.326 3.299 20 5 DGBDLO CCC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281138992 216105798 /nfs/dbraw/zinc/10/57/98/216105798.db2.gz UJZOQJNHAWSZOF-IVZQSRNASA-N 1 2 324.446 3.327 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000430203044 238070892 /nfs/dbraw/zinc/07/08/92/238070892.db2.gz HWWUBYDOWWKEQP-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000430203044 238070893 /nfs/dbraw/zinc/07/08/93/238070893.db2.gz HWWUBYDOWWKEQP-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO CCN(CC)c1ccc(CNc2cc(N)ccc2[N+](=O)[O-])c[nH+]1 ZINC000193387047 201042773 /nfs/dbraw/zinc/04/27/73/201042773.db2.gz NWFNVWDKSLXCGC-UHFFFAOYSA-N 1 2 315.377 3.030 20 5 DGBDLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506961 240255353 /nfs/dbraw/zinc/25/53/53/240255353.db2.gz ZUQRNMYVZIARJY-CQSZACIVSA-N 1 2 300.362 3.006 20 5 DGBDLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506961 240255359 /nfs/dbraw/zinc/25/53/59/240255359.db2.gz ZUQRNMYVZIARJY-CQSZACIVSA-N 1 2 300.362 3.006 20 5 DGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CO)CC(C)(C)C ZINC000451789607 241235624 /nfs/dbraw/zinc/23/56/24/241235624.db2.gz MOBACJMDASJTHY-LLVKDONJSA-N 1 2 316.348 3.102 20 5 DGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CO)CC(C)(C)C ZINC000451789607 241235628 /nfs/dbraw/zinc/23/56/28/241235628.db2.gz MOBACJMDASJTHY-LLVKDONJSA-N 1 2 316.348 3.102 20 5 DGBDLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443770 284012573 /nfs/dbraw/zinc/01/25/73/284012573.db2.gz OICILZOMCPUUPZ-UHFFFAOYSA-N 1 2 314.389 3.174 20 5 DGBDLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443770 284012576 /nfs/dbraw/zinc/01/25/76/284012576.db2.gz OICILZOMCPUUPZ-UHFFFAOYSA-N 1 2 314.389 3.174 20 5 DGBDLO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339129967 284084123 /nfs/dbraw/zinc/08/41/23/284084123.db2.gz HIPZORBAIJIDED-MRXNPFEDSA-N 1 2 308.378 3.082 20 5 DGBDLO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339129967 284084127 /nfs/dbraw/zinc/08/41/27/284084127.db2.gz HIPZORBAIJIDED-MRXNPFEDSA-N 1 2 308.378 3.082 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1CCCC1 ZINC000472344549 244300322 /nfs/dbraw/zinc/30/03/22/244300322.db2.gz UAQMLYAJNQMBKJ-UHFFFAOYSA-N 1 2 319.405 3.029 20 5 DGBDLO Cc1ccoc1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488705171 245219371 /nfs/dbraw/zinc/21/93/71/245219371.db2.gz ULFYBJLWDUMDHT-UHFFFAOYSA-N 1 2 324.340 3.296 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489250066 245286226 /nfs/dbraw/zinc/28/62/26/245286226.db2.gz ICNASOVQJYDUTQ-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489250066 245286229 /nfs/dbraw/zinc/28/62/29/245286229.db2.gz ICNASOVQJYDUTQ-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000127822025 284353047 /nfs/dbraw/zinc/35/30/47/284353047.db2.gz MXWSBLGTMXAFGC-MRXNPFEDSA-N 1 2 308.341 3.197 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000494795463 246193861 /nfs/dbraw/zinc/19/38/61/246193861.db2.gz PORLXWPROQWXDP-CQSZACIVSA-N 1 2 324.739 3.211 20 5 DGBDLO COc1c(C)c[nH+]c(COc2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000135357321 284473087 /nfs/dbraw/zinc/47/30/87/284473087.db2.gz NEVNNQYOIZIPLL-UHFFFAOYSA-N 1 2 306.293 3.333 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(CC(C)C)no2)cc1[N+](=O)[O-] ZINC000181830310 432147551 /nfs/dbraw/zinc/14/75/51/432147551.db2.gz GMXUTRPNVNHMHK-GFCCVEGCSA-N 1 2 318.377 3.336 20 5 DGBDLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285137752 218305229 /nfs/dbraw/zinc/30/52/29/218305229.db2.gz LRXGOYJCZGKAKZ-NSHDSACASA-N 1 2 300.362 3.416 20 5 DGBDLO COc1cc(NCCCc2[nH+]cccc2C)c(F)cc1[N+](=O)[O-] ZINC000295041660 533028063 /nfs/dbraw/zinc/02/80/63/533028063.db2.gz SUUWLLXVYHSMRR-UHFFFAOYSA-N 1 2 319.336 3.491 20 5 DGBDLO COc1cc(NCCCc2[nH+]cccc2C)ccc1[N+](=O)[O-] ZINC000294939605 533028871 /nfs/dbraw/zinc/02/88/71/533028871.db2.gz ICDWYOLEFAZLJO-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO CCOC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286461812 219002388 /nfs/dbraw/zinc/00/23/88/219002388.db2.gz ORIIGFYDFLGNKP-NSHDSACASA-N 1 2 314.332 3.122 20 5 DGBDLO CCOC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286461812 219002391 /nfs/dbraw/zinc/00/23/91/219002391.db2.gz ORIIGFYDFLGNKP-NSHDSACASA-N 1 2 314.332 3.122 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000430215474 533136708 /nfs/dbraw/zinc/13/67/08/533136708.db2.gz CIDOLWJAKJAVLX-JTQLQIEISA-N 1 2 307.375 3.219 20 5 DGBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000344707293 254298165 /nfs/dbraw/zinc/29/81/65/254298165.db2.gz QGVWGYUSDBKKCP-OAHLLOKOSA-N 1 2 320.389 3.246 20 5 DGBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000344707293 254298166 /nfs/dbraw/zinc/29/81/66/254298166.db2.gz QGVWGYUSDBKKCP-OAHLLOKOSA-N 1 2 320.389 3.246 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000430203821 533136960 /nfs/dbraw/zinc/13/69/60/533136960.db2.gz GQRBOYHMYAPVNQ-UHFFFAOYSA-N 1 2 321.402 3.393 20 5 DGBDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000271578188 209029425 /nfs/dbraw/zinc/02/94/25/209029425.db2.gz WPSCGIUKTBQDDQ-GHMZBOCLSA-N 1 2 303.366 3.248 20 5 DGBDLO Cc1noc([C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000289881560 221288806 /nfs/dbraw/zinc/28/88/06/221288806.db2.gz SCKKYFUWLFQYGN-SZTZYQKNSA-N 1 2 314.345 3.137 20 5 DGBDLO Cc1noc([C@@H]2CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000289881560 221288809 /nfs/dbraw/zinc/28/88/09/221288809.db2.gz SCKKYFUWLFQYGN-SZTZYQKNSA-N 1 2 314.345 3.137 20 5 DGBDLO Cc1ccc(Cc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c[nH+]1 ZINC000357398677 285747970 /nfs/dbraw/zinc/74/79/70/285747970.db2.gz HQBNJJFBSOILEZ-UHFFFAOYSA-N 1 2 324.340 3.171 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)nc1-c1ccccc1 ZINC000091424634 400117661 /nfs/dbraw/zinc/11/76/61/400117661.db2.gz DCOMKFGFPGKRPG-UHFFFAOYSA-N 1 2 323.356 3.356 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOc2ccccc2C1 ZINC000595293331 400119095 /nfs/dbraw/zinc/11/90/95/400119095.db2.gz KSPKPBJJHUQDLF-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOc2ccccc2C1 ZINC000595293331 400119101 /nfs/dbraw/zinc/11/91/01/400119101.db2.gz KSPKPBJJHUQDLF-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000595024046 400079564 /nfs/dbraw/zinc/07/95/64/400079564.db2.gz FDJGLTGYDWZICK-JTQLQIEISA-N 1 2 307.375 3.219 20 5 DGBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595312447 400124957 /nfs/dbraw/zinc/12/49/57/400124957.db2.gz MRZQIXFZMJRDIW-SECBINFHSA-N 1 2 310.379 3.158 20 5 DGBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595312447 400124958 /nfs/dbraw/zinc/12/49/58/400124958.db2.gz MRZQIXFZMJRDIW-SECBINFHSA-N 1 2 310.379 3.158 20 5 DGBDLO Cc1noc(C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000595327963 400129002 /nfs/dbraw/zinc/12/90/02/400129002.db2.gz GSFUWQSVOKEVAY-JTQLQIEISA-N 1 2 305.309 3.150 20 5 DGBDLO Cc1noc(C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000595327963 400129008 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C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000015571319 400167314 /nfs/dbraw/zinc/16/73/14/400167314.db2.gz JXBQMYPXQDHTLJ-UHFFFAOYSA-N 1 2 322.368 3.413 20 5 DGBDLO CCOc1cc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595681039 400225986 /nfs/dbraw/zinc/22/59/86/400225986.db2.gz JOJINDGFYSJYCB-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1cc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595681039 400225991 /nfs/dbraw/zinc/22/59/91/400225991.db2.gz JOJINDGFYSJYCB-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO CCCO[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093316650 400240106 /nfs/dbraw/zinc/24/01/06/400240106.db2.gz JMIWOWWDMAWBTI-OAHLLOKOSA-N 1 2 308.378 3.082 20 5 DGBDLO CCCO[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093316650 400240109 /nfs/dbraw/zinc/24/01/09/400240109.db2.gz JMIWOWWDMAWBTI-OAHLLOKOSA-N 1 2 308.378 3.082 20 5 DGBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C(C)(C)CO1 ZINC000610581706 400278881 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VSAZUSAVQBADRZ-UHFFFAOYSA-N 1 2 306.322 3.326 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCC[C@@H](CO)C3)c2c1 ZINC000413290472 230180378 /nfs/dbraw/zinc/18/03/78/230180378.db2.gz AOJQYNWXCXGQKH-QWHCGFSZSA-N 1 2 315.373 3.354 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3cccnc3)nc2c1 ZINC000346976062 264132069 /nfs/dbraw/zinc/13/20/69/264132069.db2.gz QZRDVVYADLDWMY-INIZCTEOSA-N 1 2 323.356 3.203 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3cccnc3)nc2c1 ZINC000346976062 264132070 /nfs/dbraw/zinc/13/20/70/264132070.db2.gz QZRDVVYADLDWMY-INIZCTEOSA-N 1 2 323.356 3.203 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000352620805 265106779 /nfs/dbraw/zinc/10/67/79/265106779.db2.gz IJRXZENTSJIXLD-UHFFFAOYSA-N 1 2 313.357 3.001 20 5 DGBDLO Cc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000352620805 265106782 /nfs/dbraw/zinc/10/67/82/265106782.db2.gz IJRXZENTSJIXLD-UHFFFAOYSA-N 1 2 313.357 3.001 20 5 DGBDLO Cn1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000352928166 265234069 /nfs/dbraw/zinc/23/40/69/265234069.db2.gz LPVFYEKSDVJOHG-SFHVURJKSA-N 1 2 322.368 3.208 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339822810 275039440 /nfs/dbraw/zinc/03/94/40/275039440.db2.gz ZCQHGRYCTHPYSX-UHFFFAOYSA-N 1 2 304.243 3.428 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339822810 275039441 /nfs/dbraw/zinc/03/94/41/275039441.db2.gz ZCQHGRYCTHPYSX-UHFFFAOYSA-N 1 2 304.243 3.428 20 5 DGBDLO CC(C)(C)c1nc(NCCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000610515154 430564643 /nfs/dbraw/zinc/56/46/43/430564643.db2.gz HQTQZDJZCUJQLK-UHFFFAOYSA-N 1 2 300.362 3.337 20 5 DGBDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000106370112 278075440 /nfs/dbraw/zinc/07/54/40/278075440.db2.gz CSSNZMNKOLPWHZ-UHFFFAOYSA-N 1 2 320.418 3.072 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccnc1 ZINC000119042192 431638669 /nfs/dbraw/zinc/63/86/69/431638669.db2.gz VAJXQDQCDZFTID-UHFFFAOYSA-N 1 2 315.373 3.409 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccnc1 ZINC000119042192 431638673 /nfs/dbraw/zinc/63/86/73/431638673.db2.gz VAJXQDQCDZFTID-UHFFFAOYSA-N 1 2 315.373 3.409 20 5 DGBDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346821 431673378 /nfs/dbraw/zinc/67/33/78/431673378.db2.gz BCXLYOINSKLFIY-ZDUSSCGKSA-N 1 2 313.357 3.054 20 5 DGBDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346821 431673384 /nfs/dbraw/zinc/67/33/84/431673384.db2.gz BCXLYOINSKLFIY-ZDUSSCGKSA-N 1 2 313.357 3.054 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1NCc1cn2cccc(C)c2[nH+]1 ZINC000078500389 431675680 /nfs/dbraw/zinc/67/56/80/431675680.db2.gz ULKLXRRBIQSXQP-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125462257 431926551 /nfs/dbraw/zinc/92/65/51/431926551.db2.gz DILFWHJJLCZKDW-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125462257 431926552 /nfs/dbraw/zinc/92/65/52/431926552.db2.gz DILFWHJJLCZKDW-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(OC)c1F ZINC000192679617 432399740 /nfs/dbraw/zinc/39/97/40/432399740.db2.gz JQABIDPVHZRQDF-UHFFFAOYSA-N 1 2 320.320 3.041 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)Cc2ccccc2)cc1 ZINC000193692547 432491631 /nfs/dbraw/zinc/49/16/31/432491631.db2.gz SMPCZCOAWHIPFK-KRWDZBQOSA-N 1 2 323.352 3.062 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCOCC3)s2)cc1 ZINC000154508139 432502676 /nfs/dbraw/zinc/50/26/76/432502676.db2.gz DHYKCBBUGQRDFC-UHFFFAOYSA-N 1 2 304.371 3.156 20 5 DGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000263640846 432560383 /nfs/dbraw/zinc/56/03/83/432560383.db2.gz BEWPONAVZISPRO-CYBMUJFWSA-N 1 2 315.333 3.077 20 5 DGBDLO C[C@@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450822426 288770851 /nfs/dbraw/zinc/77/08/51/288770851.db2.gz BEPQNWOBFHYYAJ-MFKMUULPSA-N 1 2 309.329 3.457 20 5 DGBDLO Cc1cc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000296465756 432911038 /nfs/dbraw/zinc/91/10/38/432911038.db2.gz AAEBKKZEUMICKG-UHFFFAOYSA-N 1 2 314.345 3.355 20 5 DGBDLO O=[N+]([O-])c1ccccc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000349869733 433025314 /nfs/dbraw/zinc/02/53/14/433025314.db2.gz SZPSOMOSRVPLKS-UHFFFAOYSA-N 1 2 320.352 3.343 20 5 DGBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000290446186 433054214 /nfs/dbraw/zinc/05/42/14/433054214.db2.gz COCLHBVCWMEHQV-SECBINFHSA-N 1 2 314.267 3.311 20 5 DGBDLO CC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000413169312 433262258 /nfs/dbraw/zinc/26/22/58/433262258.db2.gz MFRNYDGMNICCFV-ZDUSSCGKSA-N 1 2 303.387 3.475 20 5 DGBDLO Cc1c[nH+]cc(CCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000426348844 433466158 /nfs/dbraw/zinc/46/61/58/433466158.db2.gz SLLDGFQDBDCJHP-UHFFFAOYSA-N 1 2 310.313 3.133 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2ccn(CC)n2)cc1[N+](=O)[O-] ZINC000414211787 433463526 /nfs/dbraw/zinc/46/35/26/433463526.db2.gz QRFRZKAINCVASH-LBPRGKRZSA-N 1 2 318.377 3.061 20 5 DGBDLO Cc1ccnc(NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000301266937 433480822 /nfs/dbraw/zinc/48/08/22/433480822.db2.gz GUOCVPLYTHTEMR-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DGBDLO CCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448693396 433498998 /nfs/dbraw/zinc/49/89/98/433498998.db2.gz CGTBAUCYBGMUMO-GFCCVEGCSA-N 1 2 316.361 3.041 20 5 DGBDLO Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301471932 433568337 /nfs/dbraw/zinc/56/83/37/433568337.db2.gz UDONLSJUWZESFL-GASCZTMLSA-N 1 2 324.384 3.452 20 5 DGBDLO Cc1ccc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000421397549 433542833 /nfs/dbraw/zinc/54/28/33/433542833.db2.gz DLVMBBYNRASSFO-UHFFFAOYSA-N 1 2 317.393 3.101 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@H](CF)C3)o2)c1 ZINC000414466708 433634452 /nfs/dbraw/zinc/63/44/52/433634452.db2.gz BYPAWOAOMQDGKY-OAHLLOKOSA-N 1 2 320.320 3.025 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@H](CF)C3)o2)c1 ZINC000414466708 433634465 /nfs/dbraw/zinc/63/44/65/433634465.db2.gz BYPAWOAOMQDGKY-OAHLLOKOSA-N 1 2 320.320 3.025 20 5 DGBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCO1 ZINC000293057047 433612785 /nfs/dbraw/zinc/61/27/85/433612785.db2.gz KWXCVRDPUVMJGJ-JTQLQIEISA-N 1 2 318.295 3.224 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCO1 ZINC000293057047 433612796 /nfs/dbraw/zinc/61/27/96/433612796.db2.gz KWXCVRDPUVMJGJ-JTQLQIEISA-N 1 2 318.295 3.224 20 5 DGBDLO Cc1cc(N(C)CCCn2cc[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC000301671829 433669170 /nfs/dbraw/zinc/66/91/70/433669170.db2.gz AADLHYNQIQDHLR-UHFFFAOYSA-N 1 2 308.769 3.280 20 5 DGBDLO CCOc1cc(C[N@H+](C)Cc2conc2CC)ccc1[N+](=O)[O-] ZINC000339602708 433681167 /nfs/dbraw/zinc/68/11/67/433681167.db2.gz ALEOMKCPGJERSS-UHFFFAOYSA-N 1 2 319.361 3.176 20 5 DGBDLO CCOc1cc(C[N@@H+](C)Cc2conc2CC)ccc1[N+](=O)[O-] ZINC000339602708 433681174 /nfs/dbraw/zinc/68/11/74/433681174.db2.gz ALEOMKCPGJERSS-UHFFFAOYSA-N 1 2 319.361 3.176 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(CN3CCn4c[nH+]cc4C3)o2)c1 ZINC000368229667 293107360 /nfs/dbraw/zinc/10/73/60/293107360.db2.gz WNPFMAXJIATWQD-UHFFFAOYSA-N 1 2 324.340 3.067 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)cc1OC(F)F ZINC000371595698 293214461 /nfs/dbraw/zinc/21/44/61/293214461.db2.gz HLWGIANANXBVOD-NSHDSACASA-N 1 2 324.287 3.261 20 5 DGBDLO CCc1nocc1C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293359999 433712206 /nfs/dbraw/zinc/71/22/06/433712206.db2.gz IIYZFTIYLGFQQQ-UHFFFAOYSA-N 1 2 309.753 3.431 20 5 DGBDLO CCc1nocc1C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293359999 433712214 /nfs/dbraw/zinc/71/22/14/433712214.db2.gz IIYZFTIYLGFQQQ-UHFFFAOYSA-N 1 2 309.753 3.431 20 5 DGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)CCCn1cc[nH+]c1 ZINC000302823304 433874046 /nfs/dbraw/zinc/87/40/46/433874046.db2.gz LENOBZMXVIDGTL-UHFFFAOYSA-N 1 2 308.769 3.280 20 5 DGBDLO CCc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000456836201 433854671 /nfs/dbraw/zinc/85/46/71/433854671.db2.gz JKULPUHMPPVQFW-UHFFFAOYSA-N 1 2 313.357 3.099 20 5 DGBDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC000362921887 433911459 /nfs/dbraw/zinc/91/14/59/433911459.db2.gz AFGLEVRAQQDSHA-RKDXNWHRSA-N 1 2 309.395 3.139 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1NCc1cc(OC)cc(C)[nH+]1 ZINC000352039674 433884045 /nfs/dbraw/zinc/88/40/45/433884045.db2.gz IQYKAQBTYPMGRT-UHFFFAOYSA-N 1 2 317.345 3.318 20 5 DGBDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000450211826 434030585 /nfs/dbraw/zinc/03/05/85/434030585.db2.gz BZDNFTIWQQTXGV-UHFFFAOYSA-N 1 2 313.361 3.345 20 5 DGBDLO COCC[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505596527 294243954 /nfs/dbraw/zinc/24/39/54/294243954.db2.gz LLHAMNROGADQLP-UHFFFAOYSA-N 1 2 318.348 3.383 20 5 DGBDLO COCC[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505596527 294243955 /nfs/dbraw/zinc/24/39/55/294243955.db2.gz LLHAMNROGADQLP-UHFFFAOYSA-N 1 2 318.348 3.383 20 5 DGBDLO CCc1cc(NC[C@H]2C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507097885 294281727 /nfs/dbraw/zinc/28/17/27/294281727.db2.gz LFHLHVDEWRMNQT-WCQYABFASA-N 1 2 312.373 3.104 20 5 DGBDLO Cc1ccc(CNc2[nH]c3cccc(Cl)c3[nH+]2)cc1[N+](=O)[O-] ZINC000508491862 294324239 /nfs/dbraw/zinc/32/42/39/294324239.db2.gz TVAOAQCJCAZSRZ-UHFFFAOYSA-N 1 2 316.748 3.467 20 5 DGBDLO COCc1cc([N+](=O)[O-])ccc1NCCCc1cccc(C)[nH+]1 ZINC000286396857 434257382 /nfs/dbraw/zinc/25/73/82/434257382.db2.gz GZSKAVQABQXMNI-UHFFFAOYSA-N 1 2 315.373 3.489 20 5 DGBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295217832 434263541 /nfs/dbraw/zinc/26/35/41/434263541.db2.gz MHSLAMNSTIMXAD-SNVBAGLBSA-N 1 2 308.769 3.315 20 5 DGBDLO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2[nH+]ccn21 ZINC000450828327 434427277 /nfs/dbraw/zinc/42/72/77/434427277.db2.gz JYHWQHWABLCIDI-YGRLFVJLSA-N 1 2 309.329 3.457 20 5 DGBDLO C[N@@H+](Cc1ccon1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353815226 434449904 /nfs/dbraw/zinc/44/99/04/434449904.db2.gz KAAPBMTWLOJHJW-UHFFFAOYSA-N 1 2 313.313 3.475 20 5 DGBDLO C[N@H+](Cc1ccon1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353815226 434449916 /nfs/dbraw/zinc/44/99/16/434449916.db2.gz KAAPBMTWLOJHJW-UHFFFAOYSA-N 1 2 313.313 3.475 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2[nH+]1 ZINC000439026965 434560454 /nfs/dbraw/zinc/56/04/54/434560454.db2.gz MTPHKFHSDADKRH-UHFFFAOYSA-N 1 2 324.340 3.269 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COCc3ccccc32)c(F)c1 ZINC000418108002 434588735 /nfs/dbraw/zinc/58/87/35/434588735.db2.gz QLZALBSCMVMJOR-INIZCTEOSA-N 1 2 302.305 3.095 20 5 DGBDLO CC(C)c1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349348885 434684262 /nfs/dbraw/zinc/68/42/62/434684262.db2.gz NLWTXXKIPOVCBQ-CYBMUJFWSA-N 1 2 320.311 3.073 20 5 DGBDLO CC(C)c1ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349348885 434684269 /nfs/dbraw/zinc/68/42/69/434684269.db2.gz NLWTXXKIPOVCBQ-CYBMUJFWSA-N 1 2 320.311 3.073 20 5 DGBDLO Cc1cc(NCCc2cn3ccccc3[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000461728057 434885658 /nfs/dbraw/zinc/88/56/58/434885658.db2.gz GQLWHTISVARCEL-UHFFFAOYSA-N 1 2 314.320 3.345 20 5 DGBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000492530933 435005187 /nfs/dbraw/zinc/00/51/87/435005187.db2.gz ISBXKKXHCADETI-WAYWQWQTSA-N 1 2 320.736 3.117 20 5 DGBDLO CCc1cnc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000532275581 435155113 /nfs/dbraw/zinc/15/51/13/435155113.db2.gz QHIDTULGPLONDK-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO CCc1cnc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000532275581 435155116 /nfs/dbraw/zinc/15/51/16/435155116.db2.gz QHIDTULGPLONDK-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO Cc1nc(N[C@H](C)c2cccc([N+](=O)[O-])c2)c2c([nH+]1)CCCC2 ZINC000571953732 435759000 /nfs/dbraw/zinc/75/90/00/435759000.db2.gz VMUUDBZGYADYRH-LLVKDONJSA-N 1 2 312.373 3.745 20 5 DGBDLO Cc1cc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000564814867 315202014 /nfs/dbraw/zinc/20/20/14/315202014.db2.gz HNBFENZJBXUAEX-ZDUSSCGKSA-N 1 2 313.357 3.027 20 5 DGBDLO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(F)c1 ZINC000584474247 337346064 /nfs/dbraw/zinc/34/60/64/337346064.db2.gz JKJSMVSEBJGDOQ-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(F)c1 ZINC000584474247 337346065 /nfs/dbraw/zinc/34/60/65/337346065.db2.gz JKJSMVSEBJGDOQ-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO Cc1ccc(CN2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000294703178 533913556 /nfs/dbraw/zinc/91/35/56/533913556.db2.gz DEIMHEKISPFHNU-OAHLLOKOSA-N 1 2 314.389 3.220 20 5 DGBDLO C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)Cn1cc[nH+]c1 ZINC000413078502 534099446 /nfs/dbraw/zinc/09/94/46/534099446.db2.gz NBFVEGPEQIFSPO-LBPRGKRZSA-N 1 2 311.345 3.088 20 5 DGBDLO Cc1nc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)sc1C ZINC000332018864 534367184 /nfs/dbraw/zinc/36/71/84/534367184.db2.gz SPEZYWDXWJWYFM-UHFFFAOYSA-N 1 2 303.387 3.226 20 5 DGBDLO Cc1nc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)sc1C ZINC000332018864 534367189 /nfs/dbraw/zinc/36/71/89/534367189.db2.gz SPEZYWDXWJWYFM-UHFFFAOYSA-N 1 2 303.387 3.226 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000292367100 534887165 /nfs/dbraw/zinc/88/71/65/534887165.db2.gz YZBQUVIKDPKHAM-OAHLLOKOSA-N 1 2 315.377 3.124 20 5 DGBDLO CC(C)[N@H+](Cc1ccco1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444602221 528961198 /nfs/dbraw/zinc/96/11/98/528961198.db2.gz ZCYRUQVSAPQHLT-UHFFFAOYSA-N 1 2 314.345 3.475 20 5 DGBDLO CC(C)[N@@H+](Cc1ccco1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444602221 528961204 /nfs/dbraw/zinc/96/12/04/528961204.db2.gz ZCYRUQVSAPQHLT-UHFFFAOYSA-N 1 2 314.345 3.475 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000742397172 574996405 /nfs/dbraw/zinc/99/64/05/574996405.db2.gz MWGFASGVCTUSCI-UHFFFAOYSA-N 1 2 324.340 3.401 20 5 DGBDLO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000749155201 575631591 /nfs/dbraw/zinc/63/15/91/575631591.db2.gz BESNBRRBEYIAOO-UHFFFAOYSA-N 1 2 309.728 3.414 20 5 DGBDLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000749155201 575631592 /nfs/dbraw/zinc/63/15/92/575631592.db2.gz BESNBRRBEYIAOO-UHFFFAOYSA-N 1 2 309.728 3.414 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1F ZINC000852649392 620637279 /nfs/dbraw/zinc/63/72/79/620637279.db2.gz JUNFPFGQKWWHFQ-UHFFFAOYSA-N 1 2 320.364 3.125 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1F ZINC000852649392 620637280 /nfs/dbraw/zinc/63/72/80/620637280.db2.gz JUNFPFGQKWWHFQ-UHFFFAOYSA-N 1 2 320.364 3.125 20 5 DGBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000852779164 620647681 /nfs/dbraw/zinc/64/76/81/620647681.db2.gz CHYFCZPZCPACJC-JTQLQIEISA-N 1 2 317.345 3.067 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2F)[nH+]c1C ZINC000895191772 618571525 /nfs/dbraw/zinc/57/15/25/618571525.db2.gz CDQGRQOPAACOIN-AWEZNQCLSA-N 1 2 304.325 3.415 20 5 DGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H](CF)C2)cc1Br ZINC000895567276 618801635 /nfs/dbraw/zinc/80/16/35/618801635.db2.gz GNRPDTUMOMCBRS-SSDOTTSWSA-N 1 2 323.187 3.210 20 5 DGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H](CF)C2)cc1Br ZINC000895567276 618801637 /nfs/dbraw/zinc/80/16/37/618801637.db2.gz GNRPDTUMOMCBRS-SSDOTTSWSA-N 1 2 323.187 3.210 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(C(F)F)no1 ZINC000895725635 618823723 /nfs/dbraw/zinc/82/37/23/618823723.db2.gz NQUVBCBSTGSZFL-UITAMQMPSA-N 1 2 324.287 3.109 20 5 DGBDLO CCn1c[nH+]c2c1CCN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000896659791 618940343 /nfs/dbraw/zinc/94/03/43/618940343.db2.gz GLOMQXFPBKRSSJ-UHFFFAOYSA-N 1 2 306.753 3.027 20 5 DGBDLO COc1cc([C@@H](C)[NH2+]Cc2cc(C3CC3)no2)cc([N+](=O)[O-])c1 ZINC000903218474 619740553 /nfs/dbraw/zinc/74/05/53/619740553.db2.gz CKWMPCVUQGOVPC-SNVBAGLBSA-N 1 2 317.345 3.320 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000903322050 619755833 /nfs/dbraw/zinc/75/58/33/619755833.db2.gz GGBJZUDQIYHUKB-GDBMZVCRSA-N 1 2 310.357 3.113 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+][C@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000903333873 619759089 /nfs/dbraw/zinc/75/90/89/619759089.db2.gz URIMSSJWVHRWJC-WBMJQRKESA-N 1 2 312.373 3.495 20 5 DGBDLO Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000908513036 620208093 /nfs/dbraw/zinc/20/80/93/620208093.db2.gz VKGMBCLAXBKHNK-LBPRGKRZSA-N 1 2 313.357 3.406 20 5 DGBDLO Cn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000856789430 621022063 /nfs/dbraw/zinc/02/20/63/621022063.db2.gz LBZKZMQGBYWHNG-UHFFFAOYSA-N 1 2 308.769 3.007 20 5 DGBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000859837266 621335178 /nfs/dbraw/zinc/33/51/78/621335178.db2.gz FVHJSCKZNAIKDV-SECBINFHSA-N 1 2 315.276 3.123 20 5 DGBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000859837266 621335182 /nfs/dbraw/zinc/33/51/82/621335182.db2.gz FVHJSCKZNAIKDV-SECBINFHSA-N 1 2 315.276 3.123 20 5 DGBDLO Cn1c[nH+]c(CCNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])c1 ZINC000865867689 622011864 /nfs/dbraw/zinc/01/18/64/622011864.db2.gz HFDOPUTUGDRXID-UHFFFAOYSA-N 1 2 315.160 3.290 20 5 DGBDLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000763241642 622132286 /nfs/dbraw/zinc/13/22/86/622132286.db2.gz PHEBAFYXBWKEQI-MRXNPFEDSA-N 1 2 300.362 3.004 20 5 DGBDLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000763241642 622132288 /nfs/dbraw/zinc/13/22/88/622132288.db2.gz PHEBAFYXBWKEQI-MRXNPFEDSA-N 1 2 300.362 3.004 20 5 DGBDLO CC1(CCOC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000764240334 622185471 /nfs/dbraw/zinc/18/54/71/622185471.db2.gz OBENCVYKUGQGNP-UHFFFAOYSA-N 1 2 315.329 3.128 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(O)c1F ZINC000872031447 622762628 /nfs/dbraw/zinc/76/26/28/622762628.db2.gz KIOMKDYCTRZQHM-SNVBAGLBSA-N 1 2 320.320 3.299 20 5 DGBDLO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031735 622763247 /nfs/dbraw/zinc/76/32/47/622763247.db2.gz LYOJDTMVFSYQMN-ONGXEEELSA-N 1 2 306.341 3.188 20 5 DGBDLO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040128 622768508 /nfs/dbraw/zinc/76/85/08/622768508.db2.gz KPALRJXJYRGVFG-IUODEOHRSA-N 1 2 318.348 3.427 20 5 DGBDLO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043762 622770223 /nfs/dbraw/zinc/77/02/23/622770223.db2.gz LTUNXRJVRBBILW-FZMZJTMJSA-N 1 2 304.321 3.118 20 5 DGBDLO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051856 622777345 /nfs/dbraw/zinc/77/73/45/622777345.db2.gz NXNBVIGBLLAZMO-NSHDSACASA-N 1 2 318.352 3.046 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000872129687 622823873 /nfs/dbraw/zinc/82/38/73/622823873.db2.gz AGAVIWHIGNEHRI-PWSUYJOCSA-N 1 2 316.361 3.114 20 5 DGBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000873075164 623031112 /nfs/dbraw/zinc/03/11/12/623031112.db2.gz RVSJLMVJEPADLL-NSHDSACASA-N 1 2 321.402 3.357 20 5 DGBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000873114007 623038860 /nfs/dbraw/zinc/03/88/60/623038860.db2.gz RQGXLSNUUHZGJQ-CMPLNLGQSA-N 1 2 317.393 3.386 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000876790501 623706752 /nfs/dbraw/zinc/70/67/52/623706752.db2.gz LDHPUKNOTBKYHR-QGZVFWFLSA-N 1 2 316.357 3.378 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000876790501 623706757 /nfs/dbraw/zinc/70/67/57/623706757.db2.gz LDHPUKNOTBKYHR-QGZVFWFLSA-N 1 2 316.357 3.378 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000778948681 623714333 /nfs/dbraw/zinc/71/43/33/623714333.db2.gz PWRGGNUMZKKIEP-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000778948681 623714334 /nfs/dbraw/zinc/71/43/34/623714334.db2.gz PWRGGNUMZKKIEP-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000877523644 623922929 /nfs/dbraw/zinc/92/29/29/623922929.db2.gz MFUGCWKKECZKPS-HNNXBMFYSA-N 1 2 316.361 3.240 20 5 DGBDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000877523644 623922932 /nfs/dbraw/zinc/92/29/32/623922932.db2.gz MFUGCWKKECZKPS-HNNXBMFYSA-N 1 2 316.361 3.240 20 5 DGBDLO Cc1csc([C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000877813588 624045722 /nfs/dbraw/zinc/04/57/22/624045722.db2.gz MQTOHJQCEQZNQA-NSHDSACASA-N 1 2 319.386 3.055 20 5 DGBDLO Cc1csc([C@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000877813588 624045725 /nfs/dbraw/zinc/04/57/25/624045725.db2.gz MQTOHJQCEQZNQA-NSHDSACASA-N 1 2 319.386 3.055 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000797519088 626150749 /nfs/dbraw/zinc/15/07/49/626150749.db2.gz UKBWWLDETKWGPM-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000797519088 626150752 /nfs/dbraw/zinc/15/07/52/626150752.db2.gz UKBWWLDETKWGPM-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC(C)=C(c3ccco3)C2)c(C)c1[N+](=O)[O-] ZINC000800866749 626380601 /nfs/dbraw/zinc/38/06/01/626380601.db2.gz FEYBOQWTCXLNKH-UHFFFAOYSA-N 1 2 316.361 3.138 20 5 DGBDLO Cc1nn(C[N@H+]2CCC(C)=C(c3ccco3)C2)c(C)c1[N+](=O)[O-] ZINC000800866749 626380603 /nfs/dbraw/zinc/38/06/03/626380603.db2.gz FEYBOQWTCXLNKH-UHFFFAOYSA-N 1 2 316.361 3.138 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1Cl ZINC000802659224 626565937 /nfs/dbraw/zinc/56/59/37/626565937.db2.gz WXWAJSNISSNRML-VIFPVBQESA-N 1 2 306.696 3.062 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1Cl ZINC000802659224 626565939 /nfs/dbraw/zinc/56/59/39/626565939.db2.gz WXWAJSNISSNRML-VIFPVBQESA-N 1 2 306.696 3.062 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1(c3ncccn3)CCC1)CCC2 ZINC000883312257 626642246 /nfs/dbraw/zinc/64/22/46/626642246.db2.gz YGZIPDCIUAAYRG-MRXNPFEDSA-N 1 2 324.384 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](Cc2ccco2)CC1 ZINC000804336501 626670601 /nfs/dbraw/zinc/67/06/01/626670601.db2.gz LIEJUVAYYHILKG-UHFFFAOYSA-N 1 2 321.764 3.163 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000804571567 626693820 /nfs/dbraw/zinc/69/38/20/626693820.db2.gz MHRFCXYVYJAGAQ-LBPRGKRZSA-N 1 2 318.764 3.334 20 5 DGBDLO Cn1c[nH+]c(CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])c1 ZINC000884527472 626896579 /nfs/dbraw/zinc/89/65/79/626896579.db2.gz SAWHVZGGGQNRSL-UHFFFAOYSA-N 1 2 314.267 3.002 20 5 DGBDLO CC(C)(CNc1ncc([N+](=O)[O-])c2ccccc21)n1cc[nH+]c1 ZINC000884559220 626903658 /nfs/dbraw/zinc/90/36/58/626903658.db2.gz PELDVILHIXEZJC-UHFFFAOYSA-N 1 2 311.345 3.187 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000885960457 627070812 /nfs/dbraw/zinc/07/08/12/627070812.db2.gz LJMFDNAZNSPWLW-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000885960457 627070814 /nfs/dbraw/zinc/07/08/14/627070814.db2.gz LJMFDNAZNSPWLW-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886190132 627119613 /nfs/dbraw/zinc/11/96/13/627119613.db2.gz BSQRZRVQERQDLK-KRWDZBQOSA-N 1 2 315.348 3.369 20 5 DGBDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886190132 627119615 /nfs/dbraw/zinc/11/96/15/627119615.db2.gz BSQRZRVQERQDLK-KRWDZBQOSA-N 1 2 315.348 3.369 20 5 DGBDLO CCC/C=C\COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000813908406 627520482 /nfs/dbraw/zinc/52/04/82/627520482.db2.gz BKUVVERQYRYQGV-PLNGDYQASA-N 1 2 315.329 3.294 20 5 DGBDLO C[N@@H+](Cc1c(F)cccc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815169273 627640047 /nfs/dbraw/zinc/64/00/47/627640047.db2.gz XWOVGYGCTAOIPR-INIZCTEOSA-N 1 2 322.311 3.038 20 5 DGBDLO C[N@H+](Cc1c(F)cccc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815169273 627640050 /nfs/dbraw/zinc/64/00/50/627640050.db2.gz XWOVGYGCTAOIPR-INIZCTEOSA-N 1 2 322.311 3.038 20 5 DGBDLO CCC1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000816186623 627751058 /nfs/dbraw/zinc/75/10/58/627751058.db2.gz JDXVZUOEKFEHSZ-UHFFFAOYSA-N 1 2 315.329 3.128 20 5 DGBDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c2nccn21 ZINC000825017690 628716699 /nfs/dbraw/zinc/71/66/99/628716699.db2.gz XHCMZZIGYLSEQZ-BXKDBHETSA-N 1 2 306.753 3.240 20 5 DGBDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c2nccn21 ZINC000825017693 628717340 /nfs/dbraw/zinc/71/73/40/628717340.db2.gz XHCMZZIGYLSEQZ-SKDRFNHKSA-N 1 2 306.753 3.240 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2occc2Br)cc1 ZINC000227367474 659153694 /nfs/dbraw/zinc/15/36/94/659153694.db2.gz SKXZIVKZSQYIIU-UHFFFAOYSA-N 1 2 311.135 3.240 20 5 DGBDLO COc1c(C)c[nH+]c(CN(C)c2cccc(F)c2[N+](=O)[O-])c1C ZINC000080970725 662157180 /nfs/dbraw/zinc/15/71/80/662157180.db2.gz BLEBDDFZFFAINS-UHFFFAOYSA-N 1 2 319.336 3.391 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC001332232138 1178399761 /nfs/dbraw/zinc/39/97/61/1178399761.db2.gz PCMFGVZMVBNVEB-SECBINFHSA-N 1 2 307.375 3.464 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccn12 ZINC001350388309 1180066000 /nfs/dbraw/zinc/06/60/00/1180066000.db2.gz KVOYOFPXGFWSGV-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430203 1181524332 /nfs/dbraw/zinc/52/43/32/1181524332.db2.gz XBEBNYOLHUQQJA-IUCAKERBSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430203 1181524337 /nfs/dbraw/zinc/52/43/37/1181524337.db2.gz XBEBNYOLHUQQJA-IUCAKERBSA-N 1 2 319.188 3.104 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH+]ccn32)c1C ZINC001360224430 1181617601 /nfs/dbraw/zinc/61/76/01/1181617601.db2.gz GKVOJZQXYJTVHN-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c(Cl)n1 ZINC001462548198 1182967205 /nfs/dbraw/zinc/96/72/05/1182967205.db2.gz HORATGZRNURYBN-UHFFFAOYSA-N 1 2 309.728 3.381 20 5 DGBDLO CCCC[N@H+](C)c1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1 ZINC001611952746 1193443860 /nfs/dbraw/zinc/44/38/60/1193443860.db2.gz JDYHVAAYIVVJGC-UHFFFAOYSA-N 1 2 303.366 3.308 20 5 DGBDLO CCCC[N@@H+](C)c1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1 ZINC001611952746 1193443862 /nfs/dbraw/zinc/44/38/62/1193443862.db2.gz JDYHVAAYIVVJGC-UHFFFAOYSA-N 1 2 303.366 3.308 20 5 DGBDLO Cc1c[nH+]cc(C)c1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001537891930 1188105413 /nfs/dbraw/zinc/10/54/13/1188105413.db2.gz PYLGIJCELFRDSS-UHFFFAOYSA-N 1 2 319.748 3.243 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c2cccnc21 ZINC001548510247 1188457867 /nfs/dbraw/zinc/45/78/67/1188457867.db2.gz DAZMZGCIXDVBOH-UHFFFAOYSA-N 1 2 323.356 3.250 20 5 DGBDLO CC(C)Oc1nc(NCc2c[nH]c(C(C)C)[nH+]2)ccc1[N+](=O)[O-] ZINC001559288677 1189193219 /nfs/dbraw/zinc/19/32/19/1189193219.db2.gz NZSBZEHTMPITFY-UHFFFAOYSA-N 1 2 319.365 3.236 20 5 DGBDLO CC(C)Oc1nc(NCc2c[nH+]c(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC001559288677 1189193221 /nfs/dbraw/zinc/19/32/21/1189193221.db2.gz NZSBZEHTMPITFY-UHFFFAOYSA-N 1 2 319.365 3.236 20 5 DGBDLO O=[N+]([O-])c1ccc2nc(SCCn3cc[nH+]c3)sc2c1 ZINC001559323300 1189196827 /nfs/dbraw/zinc/19/68/27/1189196827.db2.gz UNTBBSJKGWZWLX-UHFFFAOYSA-N 1 2 306.372 3.193 20 5 DGBDLO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001559576823 1189218873 /nfs/dbraw/zinc/21/88/73/1189218873.db2.gz MMDRIQICHHNISX-QGZVFWFLSA-N 1 2 316.332 3.092 20 5 DGBDLO Cc1cc(F)ccc1[C@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001559576823 1189218876 /nfs/dbraw/zinc/21/88/76/1189218876.db2.gz MMDRIQICHHNISX-QGZVFWFLSA-N 1 2 316.332 3.092 20 5 DGBDLO COc1cc(C)[nH+]c(CN2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC001559708073 1189232895 /nfs/dbraw/zinc/23/28/95/1189232895.db2.gz KIQDGFKXHILKEL-UHFFFAOYSA-N 1 2 313.357 3.178 20 5 DGBDLO CCO[C@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001642819045 1194942385 /nfs/dbraw/zinc/94/23/85/1194942385.db2.gz MERFZRMQKUMKDN-HOTGVXAUSA-N 1 2 322.405 3.374 20 5 DGBDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001642819046 1194942519 /nfs/dbraw/zinc/94/25/19/1194942519.db2.gz MERFZRMQKUMKDN-HZPDHXFCSA-N 1 2 322.405 3.374 20 5 DGBDLO CCNc1nc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC001648228921 1195285345 /nfs/dbraw/zinc/28/53/45/1195285345.db2.gz KOTHSGAFBHPNKR-SNVBAGLBSA-N 1 2 306.391 3.334 20 5 DGBDLO CN(CCCNc1ccc(F)cc1[N+](=O)[O-])c1cccc[nH+]1 ZINC001651363898 1195450304 /nfs/dbraw/zinc/45/03/04/1195450304.db2.gz LBBMXJVNYQQZMM-UHFFFAOYSA-N 1 2 304.325 3.067 20 5 DGBDLO O=[N+]([O-])c1cccc(Nc2ccc[nH+]c2N2CCCC2)c1F ZINC001210377945 1081948371 /nfs/dbraw/zinc/94/83/71/1081948371.db2.gz DQRBWAWBQICHCK-UHFFFAOYSA-N 1 2 302.309 3.473 20 5 DGBDLO Nc1cc(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC001167617807 1082610941 /nfs/dbraw/zinc/61/09/41/1082610941.db2.gz VMFQFWIDTPKQLJ-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH+]cc1C ZINC001127646935 1090001152 /nfs/dbraw/zinc/00/11/52/1090001152.db2.gz ITBPTOWDSRIGSC-UHFFFAOYSA-N 1 2 317.370 3.003 20 5 DGBDLO O=[N+]([O-])c1cnc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC001163990079 1090308624 /nfs/dbraw/zinc/30/86/24/1090308624.db2.gz MMCPGIDOLOGQMY-LBPRGKRZSA-N 1 2 315.358 3.101 20 5 DGBDLO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1Cl)n1cc[nH+]c1 ZINC001128952052 1091115311 /nfs/dbraw/zinc/11/53/11/1091115311.db2.gz VMNRUESPFKCHIE-VIFPVBQESA-N 1 2 308.725 3.035 20 5 DGBDLO Cc1cc([N+](=O)[O-])cc(NCCc2cn3ccccc3[nH+]2)c1F ZINC001169008801 1092486083 /nfs/dbraw/zinc/48/60/83/1092486083.db2.gz HMCOMBXADFQEQM-UHFFFAOYSA-N 1 2 314.320 3.345 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001169045502 1092506890 /nfs/dbraw/zinc/50/68/90/1092506890.db2.gz JJHKVSLQDIVIDQ-UHOFOFEASA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001169045502 1092506906 /nfs/dbraw/zinc/50/69/06/1092506906.db2.gz JJHKVSLQDIVIDQ-UHOFOFEASA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])c1cc(Nc2cc(Cl)c3[nH+]ccn3c2)ccc1O ZINC001210394079 1093152030 /nfs/dbraw/zinc/15/20/30/1093152030.db2.gz NFUUEZLSKBYLPY-UHFFFAOYSA-N 1 2 304.693 3.345 20 5 DGBDLO CCN(C)c1ccc(Nc2c(F)ccc([N+](=O)[O-])c2F)c[nH+]1 ZINC001215291879 1093952254 /nfs/dbraw/zinc/95/22/54/1093952254.db2.gz GUACFCTVQPEURP-UHFFFAOYSA-N 1 2 308.288 3.468 20 5 DGBDLO FC1(F)C[NH2+]CC[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218007825 1094556078 /nfs/dbraw/zinc/55/60/78/1094556078.db2.gz VICITHMXTUWCGQ-OAHLLOKOSA-N 1 2 315.323 3.159 20 5 DGBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc3cc4ccccc4cc3c2)C[NH2+]1 ZINC001218172626 1094642829 /nfs/dbraw/zinc/64/28/29/1094642829.db2.gz MJDPKMPOGSWCJK-MOPGFXCFSA-N 1 2 321.376 3.275 20 5 DGBDLO O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124222065 1095561930 /nfs/dbraw/zinc/56/19/30/1095561930.db2.gz STWGEDVIEVQBJY-UHFFFAOYSA-N 1 2 308.297 3.033 20 5 DGBDLO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C2 ZINC001225619569 1096484963 /nfs/dbraw/zinc/48/49/63/1096484963.db2.gz CPYPTOGHJALTGT-ITGUQSILSA-N 1 2 306.362 3.083 20 5 DGBDLO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C2 ZINC001225619569 1096484965 /nfs/dbraw/zinc/48/49/65/1096484965.db2.gz CPYPTOGHJALTGT-ITGUQSILSA-N 1 2 306.362 3.083 20 5 DGBDLO CC(C)(C)[NH+]1CC(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225956281 1096574026 /nfs/dbraw/zinc/57/40/26/1096574026.db2.gz LXXFTPWBACAZDH-UHFFFAOYSA-N 1 2 318.295 3.475 20 5 DGBDLO CCCCC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001173226698 1097375249 /nfs/dbraw/zinc/37/52/49/1097375249.db2.gz NMKZFIKFCNLRNK-BBRMVZONSA-N 1 2 322.405 3.237 20 5 DGBDLO C[N@H+](Cc1cncnc1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232229030 1097974076 /nfs/dbraw/zinc/97/40/76/1097974076.db2.gz XXBWFFIBMAOWHQ-UHFFFAOYSA-N 1 2 315.380 3.205 20 5 DGBDLO C[N@@H+](Cc1cncnc1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232229030 1097974081 /nfs/dbraw/zinc/97/40/81/1097974081.db2.gz XXBWFFIBMAOWHQ-UHFFFAOYSA-N 1 2 315.380 3.205 20 5 DGBDLO O=[N+]([O-])c1ccc(F)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175735457 1098149101 /nfs/dbraw/zinc/14/91/01/1098149101.db2.gz NRJHADLKECIOPX-UHFFFAOYSA-N 1 2 302.309 3.473 20 5 DGBDLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001176144592 1098258541 /nfs/dbraw/zinc/25/85/41/1098258541.db2.gz HHYPAJXNSBEDCH-SNVBAGLBSA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001176144592 1098258549 /nfs/dbraw/zinc/25/85/49/1098258549.db2.gz HHYPAJXNSBEDCH-SNVBAGLBSA-N 1 2 320.780 3.166 20 5 DGBDLO COc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC001248470753 1105117422 /nfs/dbraw/zinc/11/74/22/1105117422.db2.gz XVUNZQMPDOQICA-UHFFFAOYSA-N 1 2 314.345 3.342 20 5 DGBDLO Nc1c(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)cccc1[N+](=O)[O-] ZINC001250952605 1105609135 /nfs/dbraw/zinc/60/91/35/1105609135.db2.gz IUAVMHOFZHIAPG-UHFFFAOYSA-N 1 2 323.356 3.321 20 5 DGBDLO Cn1c[nH+]cc1CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001307254467 1111283926 /nfs/dbraw/zinc/28/39/26/1111283926.db2.gz XPEKTTDFOYHOJH-UHFFFAOYSA-N 1 2 306.372 3.230 20 5 DGBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001308050965 1111371677 /nfs/dbraw/zinc/37/16/77/1111371677.db2.gz YKIQNUOFSMNGDY-SECBINFHSA-N 1 2 307.331 3.415 20 5 DGBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C)o1 ZINC000278587791 214257520 /nfs/dbraw/zinc/25/75/20/214257520.db2.gz KTMUASCPQULJNC-CYBMUJFWSA-N 1 2 308.309 3.113 20 5 DGBDLO CC[C@]1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000442892871 529406788 /nfs/dbraw/zinc/40/67/88/529406788.db2.gz OSKATKRGDNOQKL-QGZVFWFLSA-N 1 2 322.405 3.383 20 5 DGBDLO CC[C@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000442892871 529406791 /nfs/dbraw/zinc/40/67/91/529406791.db2.gz OSKATKRGDNOQKL-QGZVFWFLSA-N 1 2 322.405 3.383 20 5 DGBDLO CCc1nc(C)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000428250986 529723623 /nfs/dbraw/zinc/72/36/23/529723623.db2.gz RXEYSPUHWCRADX-UHFFFAOYSA-N 1 2 301.346 3.012 20 5 DGBDLO CCc1nc(C)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000428250986 529723624 /nfs/dbraw/zinc/72/36/24/529723624.db2.gz RXEYSPUHWCRADX-UHFFFAOYSA-N 1 2 301.346 3.012 20 5 DGBDLO Cc1cccc(CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)[nH+]1 ZINC000286715896 219125504 /nfs/dbraw/zinc/12/55/04/219125504.db2.gz ZPISLCDFVFFSCO-UHFFFAOYSA-N 1 2 312.373 3.311 20 5 DGBDLO CN(C[C@H]1CCCC[C@H]1O)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413245371 529965310 /nfs/dbraw/zinc/96/53/10/529965310.db2.gz XSDVFIIFPZHPPW-CZUORRHYSA-N 1 2 315.373 3.130 20 5 DGBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000346405903 530025830 /nfs/dbraw/zinc/02/58/30/530025830.db2.gz YPMKCPQNERPIQM-UHFFFAOYSA-N 1 2 316.364 3.383 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1scnc1C ZINC000066563523 432018509 /nfs/dbraw/zinc/01/85/09/432018509.db2.gz IFKGLPUBWJGMLD-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1scnc1C ZINC000066563523 432018510 /nfs/dbraw/zinc/01/85/10/432018510.db2.gz 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COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000430220696 238071194 /nfs/dbraw/zinc/07/11/94/238071194.db2.gz PKUFAMKKURQRFH-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000430220696 238071195 /nfs/dbraw/zinc/07/11/95/238071195.db2.gz PKUFAMKKURQRFH-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1scnc1C ZINC000430228828 238071647 /nfs/dbraw/zinc/07/16/47/238071647.db2.gz VWQQYLWUPGDAPM-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1scnc1C ZINC000430228828 238071648 /nfs/dbraw/zinc/07/16/48/238071648.db2.gz VWQQYLWUPGDAPM-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO Cc1nc(NCCCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000268496044 432094776 /nfs/dbraw/zinc/09/47/76/432094776.db2.gz PCVXCYANCISFBN-UHFFFAOYSA-N 1 2 311.345 3.219 20 5 DGBDLO Cc1cccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000275456252 212345210 /nfs/dbraw/zinc/34/52/10/212345210.db2.gz 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COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000352692445 265131032 /nfs/dbraw/zinc/13/10/32/265131032.db2.gz GFZIXLIVHRNWPN-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO C[C@H](c1ccccc1)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000352825354 265184316 /nfs/dbraw/zinc/18/43/16/265184316.db2.gz PJTUOKZGXHYRRH-GFCCVEGCSA-N 1 2 300.362 3.054 20 5 DGBDLO C[C@H](c1ccccc1)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000352825354 265184320 /nfs/dbraw/zinc/18/43/20/265184320.db2.gz PJTUOKZGXHYRRH-GFCCVEGCSA-N 1 2 300.362 3.054 20 5 DGBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1c(F)cncc1F ZINC000353137067 265312738 /nfs/dbraw/zinc/31/27/38/265312738.db2.gz LXUDNPVXESWKLX-MRVPVSSYSA-N 1 2 311.263 3.258 20 5 DGBDLO COc1cccc(NCc2cn3cc(C)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000355340680 266044756 /nfs/dbraw/zinc/04/47/56/266044756.db2.gz WLIDOFKCYMLVLZ-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000355433206 266073833 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CC1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000270383776 432240292 /nfs/dbraw/zinc/24/02/92/432240292.db2.gz WQMBXQWWMCFZDE-NSHDSACASA-N 1 2 323.780 3.227 20 5 DGBDLO CC1=CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000270383776 432240289 /nfs/dbraw/zinc/24/02/89/432240289.db2.gz WQMBXQWWMCFZDE-NSHDSACASA-N 1 2 323.780 3.227 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000193575323 275035444 /nfs/dbraw/zinc/03/54/44/275035444.db2.gz ADOBSPCHVDHQJJ-UHFFFAOYSA-N 1 2 313.313 3.061 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000193575323 275035445 /nfs/dbraw/zinc/03/54/45/275035445.db2.gz ADOBSPCHVDHQJJ-UHFFFAOYSA-N 1 2 313.313 3.061 20 5 DGBDLO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)c[nH+]1 ZINC000517175528 429386033 /nfs/dbraw/zinc/38/60/33/429386033.db2.gz GPFVOFPDXUZFBR-UHFFFAOYSA-N 1 2 316.361 3.401 20 5 DGBDLO COCCCCNc1ccc(-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000600787803 430533615 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DGBDLO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346818 431671477 /nfs/dbraw/zinc/67/14/77/431671477.db2.gz BCXLYOINSKLFIY-CYBMUJFWSA-N 1 2 313.357 3.054 20 5 DGBDLO C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346818 431671483 /nfs/dbraw/zinc/67/14/83/431671483.db2.gz BCXLYOINSKLFIY-CYBMUJFWSA-N 1 2 313.357 3.054 20 5 DGBDLO COc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000097039988 431957667 /nfs/dbraw/zinc/95/76/67/431957667.db2.gz BIRMOJBXSYOUJC-UHFFFAOYSA-N 1 2 315.329 3.176 20 5 DGBDLO CCc1nnc([C@@H](C)[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271425155 432392215 /nfs/dbraw/zinc/39/22/15/432392215.db2.gz CKKMSRZCAJOKOW-ZWNOBZJWSA-N 1 2 303.366 3.077 20 5 DGBDLO COC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000273515057 432606465 /nfs/dbraw/zinc/60/64/65/432606465.db2.gz PMKUZZOPIPZLRH-LBPRGKRZSA-N 1 2 310.737 3.319 20 5 DGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000195174517 432610805 /nfs/dbraw/zinc/61/08/05/432610805.db2.gz GQRGIBZDJJZWNN-UHFFFAOYSA-N 1 2 314.326 3.299 20 5 DGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](CO)c1ccccc1 ZINC000265426708 432699008 /nfs/dbraw/zinc/69/90/08/432699008.db2.gz ZHGJXGQEBNLIEE-INIZCTEOSA-N 1 2 320.776 3.414 20 5 DGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](CO)c1ccccc1 ZINC000265426708 432699014 /nfs/dbraw/zinc/69/90/14/432699014.db2.gz ZHGJXGQEBNLIEE-INIZCTEOSA-N 1 2 320.776 3.414 20 5 DGBDLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000266811775 432789557 /nfs/dbraw/zinc/78/95/57/432789557.db2.gz WDNKJOXOWJHKMI-MEBBXXQBSA-N 1 2 322.311 3.257 20 5 DGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000282108417 288742570 /nfs/dbraw/zinc/74/25/70/288742570.db2.gz YPJDKRHIOVOEGX-CQSZACIVSA-N 1 2 315.377 3.246 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268241837 432858406 /nfs/dbraw/zinc/85/84/06/432858406.db2.gz HZCQCUYUIREKMK-DOMZBBRYSA-N 1 2 300.362 3.187 20 5 DGBDLO CCCCc1noc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296796742 432928585 /nfs/dbraw/zinc/92/85/85/432928585.db2.gz TXFLPRIOEIZLSG-NSHDSACASA-N 1 2 304.350 3.171 20 5 DGBDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330487106 432912584 /nfs/dbraw/zinc/91/25/84/432912584.db2.gz GLVKVGJVHWIRFR-GFCCVEGCSA-N 1 2 318.295 3.463 20 5 DGBDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330487106 432912586 /nfs/dbraw/zinc/91/25/86/432912586.db2.gz GLVKVGJVHWIRFR-GFCCVEGCSA-N 1 2 318.295 3.463 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1(F)F ZINC000289650617 432970631 /nfs/dbraw/zinc/97/06/31/432970631.db2.gz DTPXDTFKNMFFBK-MRVPVSSYSA-N 1 2 306.259 3.350 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1(F)F ZINC000289650617 432970635 /nfs/dbraw/zinc/97/06/35/432970635.db2.gz DTPXDTFKNMFFBK-MRVPVSSYSA-N 1 2 306.259 3.350 20 5 DGBDLO C[C@@H](c1cccc(F)c1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332530929 433009082 /nfs/dbraw/zinc/00/90/82/433009082.db2.gz RJOWFHMDWZTRJN-NSHDSACASA-N 1 2 301.321 3.248 20 5 DGBDLO C[C@@H](c1cccc(F)c1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332530929 433009084 /nfs/dbraw/zinc/00/90/84/433009084.db2.gz RJOWFHMDWZTRJN-NSHDSACASA-N 1 2 301.321 3.248 20 5 DGBDLO CCC(CC)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808134 433284058 /nfs/dbraw/zinc/28/40/58/433284058.db2.gz VRSRRGSSPZXXJF-UHFFFAOYSA-N 1 2 307.394 3.028 20 5 DGBDLO C[C@H]1CC[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447809077 433285969 /nfs/dbraw/zinc/28/59/69/433285969.db2.gz ASIBZAYBGNGXPV-DZGCQCFKSA-N 1 2 319.405 3.028 20 5 DGBDLO CCCCN(CC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448568267 433426776 /nfs/dbraw/zinc/42/67/76/433426776.db2.gz GEYYFOMBPLJLIV-UHFFFAOYSA-N 1 2 316.361 3.043 20 5 DGBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000355119751 433476360 /nfs/dbraw/zinc/47/63/60/433476360.db2.gz MCONOIGYXAXOJF-SNVBAGLBSA-N 1 2 303.387 3.391 20 5 DGBDLO COc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000301379620 433530801 /nfs/dbraw/zinc/53/08/01/433530801.db2.gz TWFNLUKVNAUNBZ-UHFFFAOYSA-N 1 2 324.340 3.401 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1nccc(C(F)F)n1 ZINC000342244605 433558681 /nfs/dbraw/zinc/55/86/81/433558681.db2.gz KGHOFDHTGIELBF-HYXAFXHYSA-N 1 2 320.299 3.125 20 5 DGBDLO CC(C)[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000293035299 433611191 /nfs/dbraw/zinc/61/11/91/433611191.db2.gz GNNCCJBLDXOTNJ-OAHLLOKOSA-N 1 2 314.332 3.120 20 5 DGBDLO CC(C)[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000293035299 433611203 /nfs/dbraw/zinc/61/12/03/433611203.db2.gz GNNCCJBLDXOTNJ-OAHLLOKOSA-N 1 2 314.332 3.120 20 5 DGBDLO Cc1csc([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000351753846 433702940 /nfs/dbraw/zinc/70/29/40/433702940.db2.gz XSXAVSCKTXCNTG-QMMMGPOBSA-N 1 2 313.329 3.489 20 5 DGBDLO Cc1csc([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000351753845 433705189 /nfs/dbraw/zinc/70/51/89/433705189.db2.gz XSXAVSCKTXCNTG-MRVPVSSYSA-N 1 2 313.329 3.489 20 5 DGBDLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342459617 433705529 /nfs/dbraw/zinc/70/55/29/433705529.db2.gz VALJMEHAXVZGBV-QLJPJBMISA-N 1 2 302.305 3.346 20 5 DGBDLO CC[C@@H](CSC)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351759724 433709494 /nfs/dbraw/zinc/70/94/94/433709494.db2.gz SNGPMSMXXSZHAA-VIFPVBQESA-N 1 2 304.362 3.446 20 5 DGBDLO CC[C@@H](CSC)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351759724 433709502 /nfs/dbraw/zinc/70/95/02/433709502.db2.gz SNGPMSMXXSZHAA-VIFPVBQESA-N 1 2 304.362 3.446 20 5 DGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000301790629 433722652 /nfs/dbraw/zinc/72/26/52/433722652.db2.gz YYKOAWHRTXARKR-LLVKDONJSA-N 1 2 318.764 3.334 20 5 DGBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284240085 433867327 /nfs/dbraw/zinc/86/73/27/433867327.db2.gz VPORBCDYKROMFL-NSHDSACASA-N 1 2 316.317 3.091 20 5 DGBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284240085 433867333 /nfs/dbraw/zinc/86/73/33/433867333.db2.gz VPORBCDYKROMFL-NSHDSACASA-N 1 2 316.317 3.091 20 5 DGBDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c2cccc([N+](=O)[O-])c2n1 ZINC000357319075 433948990 /nfs/dbraw/zinc/94/89/90/433948990.db2.gz USWMQKDCIITJDZ-LBPRGKRZSA-N 1 2 311.345 3.149 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506324538 294269223 /nfs/dbraw/zinc/26/92/23/294269223.db2.gz JSWHNURLWLZGNT-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506324538 294269226 /nfs/dbraw/zinc/26/92/26/294269226.db2.gz JSWHNURLWLZGNT-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO CCc1cc(NC[C@H]2C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507097884 294281705 /nfs/dbraw/zinc/28/17/05/294281705.db2.gz LFHLHVDEWRMNQT-DGCLKSJQSA-N 1 2 312.373 3.104 20 5 DGBDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000353573090 434239648 /nfs/dbraw/zinc/23/96/48/434239648.db2.gz JWSUCBSCUGAITQ-UHFFFAOYSA-N 1 2 307.325 3.364 20 5 DGBDLO COc1cc(NCCc2cccc(C)[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000359840866 434445418 /nfs/dbraw/zinc/44/54/18/434445418.db2.gz UDVJMTQELOPHIM-UHFFFAOYSA-N 1 2 305.309 3.101 20 5 DGBDLO CCOc1cc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000450825819 434426183 /nfs/dbraw/zinc/42/61/83/434426183.db2.gz FMBFPSPEZIBWMX-PWSUYJOCSA-N 1 2 302.334 3.308 20 5 DGBDLO Cc1cc(N2C3CCC2CC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000521235498 294864751 /nfs/dbraw/zinc/86/47/51/294864751.db2.gz APFKIGPEBCOUGT-UHFFFAOYSA-N 1 2 310.357 3.491 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCCC3)C2)c(Cl)c1 ZINC000408173495 434547081 /nfs/dbraw/zinc/54/70/81/434547081.db2.gz AQSWAGPHTZXIRY-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCCC3)C2)c(Cl)c1 ZINC000408173495 434547088 /nfs/dbraw/zinc/54/70/88/434547088.db2.gz AQSWAGPHTZXIRY-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C)ccc2n1C ZINC000525210802 295004010 /nfs/dbraw/zinc/00/40/10/295004010.db2.gz VBNAPQXFGBLKRR-UHFFFAOYSA-N 1 2 324.340 3.351 20 5 DGBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000459633797 434641447 /nfs/dbraw/zinc/64/14/47/434641447.db2.gz LXKLCWOQHMPLAZ-MRVPVSSYSA-N 1 2 309.416 3.452 20 5 DGBDLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851966 434712321 /nfs/dbraw/zinc/71/23/21/434712321.db2.gz SZHOVQRRKLBKIN-FZMZJTMJSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000360851966 434712326 /nfs/dbraw/zinc/71/23/26/434712326.db2.gz SZHOVQRRKLBKIN-FZMZJTMJSA-N 1 2 318.352 3.051 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOCC3(CCC3)C2)ccc1Cl ZINC000371886924 434766613 /nfs/dbraw/zinc/76/66/13/434766613.db2.gz AWJOKHNLQYWFJI-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOCC3(CCC3)C2)ccc1Cl ZINC000371886924 434766619 /nfs/dbraw/zinc/76/66/19/434766619.db2.gz AWJOKHNLQYWFJI-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2CCC[C@H]2O1 ZINC000440958037 434757049 /nfs/dbraw/zinc/75/70/49/434757049.db2.gz WFYNOCJKNGVCEH-HUUCEWRRSA-N 1 2 308.353 3.266 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2CCC[C@H]2O1 ZINC000440958037 434757052 /nfs/dbraw/zinc/75/70/52/434757052.db2.gz WFYNOCJKNGVCEH-HUUCEWRRSA-N 1 2 308.353 3.266 20 5 DGBDLO CN(Cc1ccccc1[N+](=O)[O-])c1[nH+]c2cccc(F)c2n1C ZINC000443508155 434777129 /nfs/dbraw/zinc/77/71/29/434777129.db2.gz IEXUYBISHMBLNR-UHFFFAOYSA-N 1 2 314.320 3.257 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000372159392 434806231 /nfs/dbraw/zinc/80/62/31/434806231.db2.gz ANGVXMYDEJZWTB-HOCLYGCPSA-N 1 2 322.405 3.090 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000372159392 434806235 /nfs/dbraw/zinc/80/62/35/434806235.db2.gz ANGVXMYDEJZWTB-HOCLYGCPSA-N 1 2 322.405 3.090 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000372745015 434851605 /nfs/dbraw/zinc/85/16/05/434851605.db2.gz WDEVAXCHCOHALI-CYBMUJFWSA-N 1 2 300.362 3.398 20 5 DGBDLO Cn1c(NCc2cccc([N+](=O)[O-])c2)[nH+]c2cccc(Cl)c21 ZINC000466626662 435085258 /nfs/dbraw/zinc/08/52/58/435085258.db2.gz LKBQQPAEBDHQCF-UHFFFAOYSA-N 1 2 316.748 3.747 20 5 DGBDLO O=[N+]([O-])c1ccc(COc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC000531350206 435086225 /nfs/dbraw/zinc/08/62/25/435086225.db2.gz XTCLDSWXWDWXKD-UHFFFAOYSA-N 1 2 313.288 3.499 20 5 DGBDLO CCOc1cc(C[NH2+][C@@H](C)c2nnc(C)s2)ccc1[N+](=O)[O-] ZINC000492821164 435055055 /nfs/dbraw/zinc/05/50/55/435055055.db2.gz YDEKLPOAZPLGOT-VIFPVBQESA-N 1 2 322.390 3.004 20 5 DGBDLO C[C@@H]1C[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)S1 ZINC000560469046 314923994 /nfs/dbraw/zinc/92/39/94/314923994.db2.gz RMRHNUSGNAQTEW-RKDXNWHRSA-N 1 2 302.346 3.199 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564928334 315212953 /nfs/dbraw/zinc/21/29/53/315212953.db2.gz AQVAOGRJGCPCLE-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564928334 315212955 /nfs/dbraw/zinc/21/29/55/315212955.db2.gz AQVAOGRJGCPCLE-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000181527981 323257595 /nfs/dbraw/zinc/25/75/95/323257595.db2.gz AJMVHEFUJHPTFG-GOSISDBHSA-N 1 2 312.369 3.038 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000181527981 323257599 /nfs/dbraw/zinc/25/75/99/323257599.db2.gz AJMVHEFUJHPTFG-GOSISDBHSA-N 1 2 312.369 3.038 20 5 DGBDLO C[C@]1(Br)C[C@H]1C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335421458 1178907716 /nfs/dbraw/zinc/90/77/16/1178907716.db2.gz NAHZWOQOJKYNNM-AAEUAGOBSA-N 1 2 311.179 3.084 20 5 DGBDLO COc1cc(C[NH2+][C@@H](C)c2nccs2)c([N+](=O)[O-])cc1F ZINC000184407623 533893161 /nfs/dbraw/zinc/89/31/61/533893161.db2.gz IDLPFMYYAJMBKB-QMMMGPOBSA-N 1 2 311.338 3.050 20 5 DGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000359513401 534720934 /nfs/dbraw/zinc/72/09/34/534720934.db2.gz FETJAFNHPLLNMP-UHFFFAOYSA-N 1 2 316.364 3.350 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCO[C@H]3CCCCO3)c2c1 ZINC000413309655 534884997 /nfs/dbraw/zinc/88/49/97/534884997.db2.gz MDHJJMCZWLXWNK-HNNXBMFYSA-N 1 2 317.345 3.098 20 5 DGBDLO CC(C)[C@@H](O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413231400 528613057 /nfs/dbraw/zinc/61/30/57/528613057.db2.gz SPRVUWYVOQIEQY-OAHLLOKOSA-N 1 2 315.373 3.352 20 5 DGBDLO CCC(O)(CC)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413255600 528965551 /nfs/dbraw/zinc/96/55/51/528965551.db2.gz JOQFUGYEWGIALX-UHFFFAOYSA-N 1 2 303.362 3.496 20 5 DGBDLO CC(C)C[N@@H+](Cc1ccccc1F)Cn1nccc1[N+](=O)[O-] ZINC000746061915 575429620 /nfs/dbraw/zinc/42/96/20/575429620.db2.gz ODVXIIADLAMQHV-UHFFFAOYSA-N 1 2 306.341 3.046 20 5 DGBDLO CC(C)C[N@H+](Cc1ccccc1F)Cn1nccc1[N+](=O)[O-] ZINC000746061915 575429622 /nfs/dbraw/zinc/42/96/22/575429622.db2.gz ODVXIIADLAMQHV-UHFFFAOYSA-N 1 2 306.341 3.046 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000749257037 575639451 /nfs/dbraw/zinc/63/94/51/575639451.db2.gz AJTBTIBUODGAHV-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000749257037 575639454 /nfs/dbraw/zinc/63/94/54/575639454.db2.gz AJTBTIBUODGAHV-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO Cc1ccccc1CC(N)=[NH+]OCc1cccc([N+](=O)[O-])c1C ZINC000751126063 575771306 /nfs/dbraw/zinc/77/13/06/575771306.db2.gz FVNLMRNNJRIFGB-UHFFFAOYSA-N 1 2 313.357 3.453 20 5 DGBDLO CN1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000727833261 576147812 /nfs/dbraw/zinc/14/78/12/576147812.db2.gz WJVIDLLQAVDQTP-UHFFFAOYSA-N 1 2 315.348 3.186 20 5 DGBDLO CN1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000727833261 576147813 /nfs/dbraw/zinc/14/78/13/576147813.db2.gz WJVIDLLQAVDQTP-UHFFFAOYSA-N 1 2 315.348 3.186 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000896046424 618865703 /nfs/dbraw/zinc/86/57/03/618865703.db2.gz VLLKMLRLKCEAQP-UHFFFAOYSA-N 1 2 307.737 3.403 20 5 DGBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000896658821 618940392 /nfs/dbraw/zinc/94/03/92/618940392.db2.gz FZDIXHXFEUHVMK-UHFFFAOYSA-N 1 2 306.753 3.027 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCc4cccnc43)nc2c1 ZINC000897072069 619012008 /nfs/dbraw/zinc/01/20/08/619012008.db2.gz CAPGMCIRKINGLX-ZDUSSCGKSA-N 1 2 324.340 3.298 20 5 DGBDLO CCCn1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000902766828 619672929 /nfs/dbraw/zinc/67/29/29/619672929.db2.gz SHFYEMCGUGHSPX-NEPJUHHUSA-N 1 2 303.366 3.008 20 5 DGBDLO CCCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000903001603 619703366 /nfs/dbraw/zinc/70/33/66/619703366.db2.gz VWWHPJWEODQRCG-NWDGAFQWSA-N 1 2 303.366 3.008 20 5 DGBDLO COc1cc([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000903097704 619719817 /nfs/dbraw/zinc/71/98/17/619719817.db2.gz IOEUMUWTIPDYOD-LBPRGKRZSA-N 1 2 318.377 3.232 20 5 DGBDLO COc1cc([C@@H](C)[NH2+][C@H](C)c2nnc(C)s2)cc([N+](=O)[O-])c1 ZINC000903154749 619726341 /nfs/dbraw/zinc/72/63/41/619726341.db2.gz WFCGCMGHSWXRHI-RKDXNWHRSA-N 1 2 322.390 3.175 20 5 DGBDLO COc1cc([C@H](C)[NH2+]Cc2cc(C3CC3)no2)cc([N+](=O)[O-])c1 ZINC000903218470 619740730 /nfs/dbraw/zinc/74/07/30/619740730.db2.gz CKWMPCVUQGOVPC-JTQLQIEISA-N 1 2 317.345 3.320 20 5 DGBDLO CCCn1cc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000903288282 619754783 /nfs/dbraw/zinc/75/47/83/619754783.db2.gz VWWHPJWEODQRCG-NEPJUHHUSA-N 1 2 303.366 3.008 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnc(C3CC3)nc2)c1 ZINC000838979450 621309657 /nfs/dbraw/zinc/30/96/57/621309657.db2.gz CDOIOYNJVNIHEA-UHFFFAOYSA-N 1 2 318.764 3.205 20 5 DGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000754266110 621499800 /nfs/dbraw/zinc/49/98/00/621499800.db2.gz HSKWISWKVLCOOG-ZRDIBKRKSA-N 1 2 322.324 3.285 20 5 DGBDLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[nH]1 ZINC000761526109 622014721 /nfs/dbraw/zinc/01/47/21/622014721.db2.gz HBTOPVOLEUPCCD-SECBINFHSA-N 1 2 323.784 3.341 20 5 DGBDLO COc1cc(C)[nH+]c(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000769561562 622541269 /nfs/dbraw/zinc/54/12/69/622541269.db2.gz FOJAGFCDWRFWJI-GFCCVEGCSA-N 1 2 313.357 3.258 20 5 DGBDLO CCn1nc(C)c(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1C ZINC000872031213 622762746 /nfs/dbraw/zinc/76/27/46/622762746.db2.gz HSYYFQFYYMYJDF-LLVKDONJSA-N 1 2 320.368 3.418 20 5 DGBDLO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040130 622768976 /nfs/dbraw/zinc/76/89/76/622768976.db2.gz KPALRJXJYRGVFG-WFASDCNBSA-N 1 2 318.348 3.427 20 5 DGBDLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872095993 622803951 /nfs/dbraw/zinc/80/39/51/622803951.db2.gz XJSQTQSHUIHCQU-PWSUYJOCSA-N 1 2 304.325 3.116 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ncc(Cl)s1 ZINC000872111362 622814093 /nfs/dbraw/zinc/81/40/93/622814093.db2.gz ALGQHWFARBVLKY-JTQLQIEISA-N 1 2 309.778 3.482 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1Cl ZINC000872257165 622870017 /nfs/dbraw/zinc/87/00/17/622870017.db2.gz MAKXHOSRYGFTDL-GFCCVEGCSA-N 1 2 320.723 3.104 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1Cl ZINC000872257165 622870018 /nfs/dbraw/zinc/87/00/18/622870018.db2.gz MAKXHOSRYGFTDL-GFCCVEGCSA-N 1 2 320.723 3.104 20 5 DGBDLO Cc1c(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)cccc1[N+](=O)[O-] ZINC000873132229 623043544 /nfs/dbraw/zinc/04/35/44/623043544.db2.gz LXDONLBSCAXAFF-UHFFFAOYSA-N 1 2 317.393 3.101 20 5 DGBDLO Cc1nn(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000840080487 626742570 /nfs/dbraw/zinc/74/25/70/626742570.db2.gz RRDJQNVQMPCHSC-ZDUSSCGKSA-N 1 2 320.780 3.200 20 5 DGBDLO Cc1nn(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000840080487 626742573 /nfs/dbraw/zinc/74/25/73/626742573.db2.gz RRDJQNVQMPCHSC-ZDUSSCGKSA-N 1 2 320.780 3.200 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@](C)(F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840100691 626759818 /nfs/dbraw/zinc/75/98/18/626759818.db2.gz WGUDMNQCXCAWEB-HNNXBMFYSA-N 1 2 306.341 3.034 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@](C)(F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840100691 626759821 /nfs/dbraw/zinc/75/98/21/626759821.db2.gz WGUDMNQCXCAWEB-HNNXBMFYSA-N 1 2 306.341 3.034 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1O ZINC000809981978 626965167 /nfs/dbraw/zinc/96/51/67/626965167.db2.gz CLDOICFLKDEZLM-PELKAZGASA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1O ZINC000809981978 626965170 /nfs/dbraw/zinc/96/51/70/626965170.db2.gz CLDOICFLKDEZLM-PELKAZGASA-N 1 2 319.188 3.104 20 5 DGBDLO C[N@H+](CCOc1ccccc1Cl)Cc1cccnc1[N+](=O)[O-] ZINC000885930168 627062428 /nfs/dbraw/zinc/06/24/28/627062428.db2.gz ZSIXLAGJPBJILC-UHFFFAOYSA-N 1 2 321.764 3.154 20 5 DGBDLO C[N@@H+](CCOc1ccccc1Cl)Cc1cccnc1[N+](=O)[O-] ZINC000885930168 627062430 /nfs/dbraw/zinc/06/24/30/627062430.db2.gz ZSIXLAGJPBJILC-UHFFFAOYSA-N 1 2 321.764 3.154 20 5 DGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc2[nH+]ccn21 ZINC000813245476 627472179 /nfs/dbraw/zinc/47/21/79/627472179.db2.gz DRAYTRVQYGJXOB-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000813383601 627484939 /nfs/dbraw/zinc/48/49/39/627484939.db2.gz JIWUXOJVYZPADD-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000924796751 627680722 /nfs/dbraw/zinc/68/07/22/627680722.db2.gz CNFWNJWVKJXLNA-RYUDHWBXSA-N 1 2 303.366 3.179 20 5 DGBDLO CC(C)[N@H+](Cc1cnn(C)c1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000816487651 627796346 /nfs/dbraw/zinc/79/63/46/627796346.db2.gz TZYGVULNBXDFST-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO CC(C)[N@@H+](Cc1cnn(C)c1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000816487651 627796350 /nfs/dbraw/zinc/79/63/50/627796350.db2.gz TZYGVULNBXDFST-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819409731 628149595 /nfs/dbraw/zinc/14/95/95/628149595.db2.gz URKIQUDWRGBYBB-KRWDZBQOSA-N 1 2 315.373 3.115 20 5 DGBDLO CCCc1ncc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000825085827 628726227 /nfs/dbraw/zinc/72/62/27/628726227.db2.gz NKGUQEXIIYFDCN-UHFFFAOYSA-N 1 2 309.753 3.479 20 5 DGBDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000844336079 630719882 /nfs/dbraw/zinc/71/98/82/630719882.db2.gz KARSMVQBKBNFNX-NWDGAFQWSA-N 1 2 303.318 3.047 20 5 DGBDLO C[C@@H](CC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000844397233 630724602 /nfs/dbraw/zinc/72/46/02/630724602.db2.gz WSTFHQOEQLUFNB-JTQLQIEISA-N 1 2 323.736 3.139 20 5 DGBDLO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1OC ZINC000851895769 632516643 /nfs/dbraw/zinc/51/66/43/632516643.db2.gz FGVAWQVPEFZVDX-LBPRGKRZSA-N 1 2 305.334 3.141 20 5 DGBDLO CCn1c[nH+]c2c1CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000933260069 655692883 /nfs/dbraw/zinc/69/28/83/655692883.db2.gz XJKGGFBWHDXJHW-UHFFFAOYSA-N 1 2 320.780 3.023 20 5 DGBDLO Cc1noc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)c1[N+](=O)[O-] ZINC000934285987 655763469 /nfs/dbraw/zinc/76/34/69/655763469.db2.gz CERQPLNQIIEFTD-HNNXBMFYSA-N 1 2 318.377 3.472 20 5 DGBDLO Cc1[nH]c(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)[nH+]1 ZINC000929338295 661298567 /nfs/dbraw/zinc/29/85/67/661298567.db2.gz SNQLQBFNXHKGMP-UHFFFAOYSA-N 1 2 302.378 3.345 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000934003256 661673110 /nfs/dbraw/zinc/67/31/10/661673110.db2.gz DXVNIOZXTVFLHR-UHFFFAOYSA-N 1 2 302.330 3.361 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934003256 661673113 /nfs/dbraw/zinc/67/31/13/661673113.db2.gz DXVNIOZXTVFLHR-UHFFFAOYSA-N 1 2 302.330 3.361 20 5 DGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cc(Cl)cn1 ZINC000066370730 685055478 /nfs/dbraw/zinc/05/54/78/685055478.db2.gz NLAQRZFAGCUEKD-UHFFFAOYSA-N 1 2 308.769 3.313 20 5 DGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cc(Cl)cn1 ZINC000066370730 685055487 /nfs/dbraw/zinc/05/54/87/685055487.db2.gz NLAQRZFAGCUEKD-UHFFFAOYSA-N 1 2 308.769 3.313 20 5 DGBDLO C[C@]1(Br)C[C@H]1C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335421458 1178907713 /nfs/dbraw/zinc/90/77/13/1178907713.db2.gz NAHZWOQOJKYNNM-AAEUAGOBSA-N 1 2 311.179 3.084 20 5 DGBDLO COc1nccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1F ZINC001335544264 1178929721 /nfs/dbraw/zinc/92/97/21/1178929721.db2.gz SCWYZLRXCLZBGN-UHFFFAOYSA-N 1 2 319.336 3.162 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)CC2)c(Br)c1 ZINC001349711211 1179938569 /nfs/dbraw/zinc/93/85/69/1179938569.db2.gz ZYNYNRAKKLEROG-UHFFFAOYSA-N 1 2 317.158 3.291 20 5 DGBDLO O=C(OC1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001352404114 1180334287 /nfs/dbraw/zinc/33/42/87/1180334287.db2.gz QWNQHKIUEZOCEO-UHFFFAOYSA-N 1 2 315.329 3.270 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccn12 ZINC001355016756 1180962226 /nfs/dbraw/zinc/96/22/26/1180962226.db2.gz XVRXYWSRZFXJRI-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)n1cc[nH+]c1 ZINC001435040474 1181786172 /nfs/dbraw/zinc/78/61/72/1181786172.db2.gz PZFSWSCBJLLTCB-SECBINFHSA-N 1 2 308.725 3.035 20 5 DGBDLO O=[N+]([O-])c1ccc(Br)c(C[NH+](C2CC2)C2CC2)c1 ZINC001460465084 1182688182 /nfs/dbraw/zinc/68/81/82/1182688182.db2.gz FHFVPSZCKZHCRB-UHFFFAOYSA-N 1 2 311.179 3.484 20 5 DGBDLO C[C@H]([NH2+][C@H](CO)c1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001460953351 1182745450 /nfs/dbraw/zinc/74/54/50/1182745450.db2.gz RGIAUCJWBJULFT-ZUZCIYMTSA-N 1 2 322.311 3.257 20 5 DGBDLO C[C@@H]([NH2+][C@@H](CO)c1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001460953346 1182745702 /nfs/dbraw/zinc/74/57/02/1182745702.db2.gz RGIAUCJWBJULFT-BMIGLBTASA-N 1 2 322.311 3.257 20 5 DGBDLO Cc1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC001529401864 1187555675 /nfs/dbraw/zinc/55/56/75/1187555675.db2.gz PXAJRWVQRSXYCE-HNNXBMFYSA-N 1 2 316.361 3.326 20 5 DGBDLO Cc1c[nH+]cc(C)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001537604399 1188085463 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C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC001644391026 1195105515 /nfs/dbraw/zinc/10/55/15/1195105515.db2.gz WKUWMLVOUDMALD-SNVBAGLBSA-N 1 2 319.292 3.493 20 5 DGBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001650943517 1195397791 /nfs/dbraw/zinc/39/77/91/1195397791.db2.gz YUIBUWOKNGTDKA-UHFFFAOYSA-N 1 2 308.288 3.146 20 5 DGBDLO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC001653554650 1195733180 /nfs/dbraw/zinc/73/31/80/1195733180.db2.gz GULMBIGNZRTQQZ-HZPDHXFCSA-N 1 2 322.405 3.374 20 5 DGBDLO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001655699001 1195952119 /nfs/dbraw/zinc/95/21/19/1195952119.db2.gz QUTNIYKPOPXBRZ-MRXNPFEDSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001655699001 1195952125 /nfs/dbraw/zinc/95/21/25/1195952125.db2.gz QUTNIYKPOPXBRZ-MRXNPFEDSA-N 1 2 300.362 3.354 20 5 DGBDLO CC(C)c1[nH]cc(CNc2c3ccccc3ncc2[N+](=O)[O-])[nH+]1 ZINC001655892410 1195973872 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DGBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@H]2c2ccc(Cl)cc2)C1 ZINC001169045503 1092507511 /nfs/dbraw/zinc/50/75/11/1092507511.db2.gz JJHKVSLQDIVIDQ-WQVCFCJDSA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@H]2c2ccc(Cl)cc2)C1 ZINC001169045503 1092507520 /nfs/dbraw/zinc/50/75/20/1092507520.db2.gz JJHKVSLQDIVIDQ-WQVCFCJDSA-N 1 2 324.808 3.159 20 5 DGBDLO COc1ncc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC001210136576 1093055272 /nfs/dbraw/zinc/05/52/72/1093055272.db2.gz LNJHNKQKEHYGGC-UHFFFAOYSA-N 1 2 319.708 3.043 20 5 DGBDLO Cc1[nH+]cc(Nc2c(N)c3cccnc3c3ncccc32)cc1N ZINC001210289479 1093110286 /nfs/dbraw/zinc/11/02/86/1093110286.db2.gz NKURNOJFIWOMTG-UHFFFAOYSA-N 1 2 316.368 3.394 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001210443908 1093167530 /nfs/dbraw/zinc/16/75/30/1093167530.db2.gz QVTINPZBWBFURE-UHFFFAOYSA-N 1 2 314.345 3.342 20 5 DGBDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001218345808 1094729297 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Cc1[nH]c([C@H]2CCCN2Cc2cc(F)ccc2[N+](=O)[O-])[nH+]c1C ZINC001197710034 1101648269 /nfs/dbraw/zinc/64/82/69/1101648269.db2.gz CPGTXPPOJVTENR-OAHLLOKOSA-N 1 2 318.352 3.411 20 5 DGBDLO [NH3+][C@@H](CO)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247608459 1104936942 /nfs/dbraw/zinc/93/69/42/1104936942.db2.gz POMWKXUWMWMSBJ-INIZCTEOSA-N 1 2 305.337 3.035 20 5 DGBDLO Cc1ncc([N+](=O)[O-])cc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001249548403 1105310052 /nfs/dbraw/zinc/31/00/52/1105310052.db2.gz LVRFFSXGAYKNTF-UHFFFAOYSA-N 1 2 309.329 3.287 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC001321282280 1107310981 /nfs/dbraw/zinc/31/09/81/1107310981.db2.gz SXTPOCUOKYJIRQ-INIZCTEOSA-N 1 2 302.374 3.402 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC001321282280 1107310998 /nfs/dbraw/zinc/31/09/98/1107310998.db2.gz SXTPOCUOKYJIRQ-INIZCTEOSA-N 1 2 302.374 3.402 20 5 DGBDLO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000430206561 529506770 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O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066845990 432022961 /nfs/dbraw/zinc/02/29/61/432022961.db2.gz WUDXXOLSRDCJCX-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066845990 432022963 /nfs/dbraw/zinc/02/29/63/432022963.db2.gz WUDXXOLSRDCJCX-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO Cn1cc([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000331843380 234187815 /nfs/dbraw/zinc/18/78/15/234187815.db2.gz BXQCFCKNTXYUBP-MRXNPFEDSA-N 1 2 318.352 3.195 20 5 DGBDLO Cn1cc([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000331843380 234187819 /nfs/dbraw/zinc/18/78/19/234187819.db2.gz BXQCFCKNTXYUBP-MRXNPFEDSA-N 1 2 318.352 3.195 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000107288784 432030402 /nfs/dbraw/zinc/03/04/02/432030402.db2.gz SUOCDTCAYNLHLI-UHFFFAOYSA-N 1 2 303.343 3.029 20 5 DGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000174244787 198309988 /nfs/dbraw/zinc/30/99/88/198309988.db2.gz BFNADKXSUGQSFO-UHFFFAOYSA-N 1 2 319.386 3.095 20 5 DGBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000080277928 192020482 /nfs/dbraw/zinc/02/04/82/192020482.db2.gz GBIDAWATSFDOLC-GFCCVEGCSA-N 1 2 307.375 3.301 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000170859561 432085156 /nfs/dbraw/zinc/08/51/56/432085156.db2.gz BWZQEACBMNKQQE-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO Cc1ccoc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000292402284 223053300 /nfs/dbraw/zinc/05/33/00/223053300.db2.gz TXQPVJXRZXZAAQ-UHFFFAOYSA-N 1 2 305.290 3.036 20 5 DGBDLO Cc1ccoc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000292402284 223053302 /nfs/dbraw/zinc/05/33/02/223053302.db2.gz TXQPVJXRZXZAAQ-UHFFFAOYSA-N 1 2 305.290 3.036 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000430201456 238070509 /nfs/dbraw/zinc/07/05/09/238070509.db2.gz JQOSPQKIQOMAOO-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000430201456 238070510 /nfs/dbraw/zinc/07/05/10/238070510.db2.gz JQOSPQKIQOMAOO-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO O=[N+]([O-])c1cccc2c1nccc2N1CCC(n2cc[nH+]c2)CC1 ZINC000432336692 238125482 /nfs/dbraw/zinc/12/54/82/238125482.db2.gz PDQKBJPGWATMHN-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO O=[N+]([O-])c1ccc(CCCCNc2cc[nH+]c3ccncc23)cc1 ZINC000444074954 239255988 /nfs/dbraw/zinc/25/59/88/239255988.db2.gz NPWFVLOKIQKGDS-UHFFFAOYSA-N 1 2 322.368 3.395 20 5 DGBDLO CCOc1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000271806161 209231874 /nfs/dbraw/zinc/23/18/74/209231874.db2.gz QIYSSJFQDPKLPU-SNVBAGLBSA-N 1 2 322.390 3.004 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2cnn(Cc3cn4ccccc4[nH+]3)c2)cc1 ZINC000103463218 284030698 /nfs/dbraw/zinc/03/06/98/284030698.db2.gz YVRQHFRRLWGSMZ-UHFFFAOYSA-N 1 2 319.324 3.154 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000093841386 193315601 /nfs/dbraw/zinc/31/56/01/193315601.db2.gz IRIDZOYLNIWZLU-MRXNPFEDSA-N 1 2 302.330 3.070 20 5 DGBDLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000093841386 193315602 /nfs/dbraw/zinc/31/56/02/193315602.db2.gz IRIDZOYLNIWZLU-MRXNPFEDSA-N 1 2 302.330 3.070 20 5 DGBDLO Cc1c(C[N@@H+]2CCOc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000489222209 245281008 /nfs/dbraw/zinc/28/10/08/245281008.db2.gz RPCCXEKIJVYHDQ-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1c(C[N@H+]2CCOc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000489222209 245281010 /nfs/dbraw/zinc/28/10/10/245281010.db2.gz RPCCXEKIJVYHDQ-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000126175718 284296939 /nfs/dbraw/zinc/29/69/39/284296939.db2.gz OBPPJFUOBOWXJF-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000126175718 284296940 /nfs/dbraw/zinc/29/69/40/284296940.db2.gz OBPPJFUOBOWXJF-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2sccc2C1 ZINC000021418827 182273623 /nfs/dbraw/zinc/27/36/23/182273623.db2.gz LEDNLLCJYABJDL-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2sccc2C1 ZINC000021418827 182273625 /nfs/dbraw/zinc/27/36/25/182273625.db2.gz LEDNLLCJYABJDL-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000267620173 206178447 /nfs/dbraw/zinc/17/84/47/206178447.db2.gz KUILCNIZIZDDMU-SNVBAGLBSA-N 1 2 307.375 3.049 20 5 DGBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000267625377 206183280 /nfs/dbraw/zinc/18/32/80/206183280.db2.gz MIGTVNZVTMTVAH-NSHDSACASA-N 1 2 321.402 3.357 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000064482594 184298086 /nfs/dbraw/zinc/29/80/86/184298086.db2.gz BNJSAESHCNPUGP-INIZCTEOSA-N 1 2 316.357 3.369 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000064482594 184298088 /nfs/dbraw/zinc/29/80/88/184298088.db2.gz BNJSAESHCNPUGP-INIZCTEOSA-N 1 2 316.357 3.369 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293124007 285076400 /nfs/dbraw/zinc/07/64/00/285076400.db2.gz MMKIZLIVCJUYOW-NSHDSACASA-N 1 2 319.188 3.248 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293124007 285076403 /nfs/dbraw/zinc/07/64/03/285076403.db2.gz MMKIZLIVCJUYOW-NSHDSACASA-N 1 2 319.188 3.248 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2[nH+]ccn2CCc2ccccc2)cn1 ZINC000337858124 253185259 /nfs/dbraw/zinc/18/52/59/253185259.db2.gz HXFJPUZDJWFTTL-UHFFFAOYSA-N 1 2 323.356 3.041 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000339007791 253388156 /nfs/dbraw/zinc/38/81/56/253388156.db2.gz WVIKHSOJLDCVGO-AWEZNQCLSA-N 1 2 317.345 3.237 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000339007791 253388158 /nfs/dbraw/zinc/38/81/58/253388158.db2.gz WVIKHSOJLDCVGO-AWEZNQCLSA-N 1 2 317.345 3.237 20 5 DGBDLO COc1cc[nH+]cc1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000431420668 533084828 /nfs/dbraw/zinc/08/48/28/533084828.db2.gz UCDYVCQOKUJYIO-UHFFFAOYSA-N 1 2 310.313 3.159 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000413203290 285147897 /nfs/dbraw/zinc/14/78/97/285147897.db2.gz MLYPVMOLNPGFIN-KGLIPLIRSA-N 1 2 313.357 3.006 20 5 DGBDLO COc1cncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000343683977 254177635 /nfs/dbraw/zinc/17/76/35/254177635.db2.gz FXIQICARIHXLQX-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1cncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000343683977 254177636 /nfs/dbraw/zinc/17/76/36/254177636.db2.gz FXIQICARIHXLQX-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000345182285 254337928 /nfs/dbraw/zinc/33/79/28/254337928.db2.gz PZLBJHDARMJPEY-CYBMUJFWSA-N 1 2 300.362 3.398 20 5 DGBDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000271578190 209030194 /nfs/dbraw/zinc/03/01/94/209030194.db2.gz WPSCGIUKTBQDDQ-QWRGUYRKSA-N 1 2 303.366 3.248 20 5 DGBDLO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289490602 221014455 /nfs/dbraw/zinc/01/44/55/221014455.db2.gz JJHJQFKISOWWMJ-IUCAKERBSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289490602 221014458 /nfs/dbraw/zinc/01/44/58/221014458.db2.gz JJHJQFKISOWWMJ-IUCAKERBSA-N 1 2 319.188 3.104 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(C(F)(F)F)n2)cs1 ZINC000294883049 224284659 /nfs/dbraw/zinc/28/46/59/224284659.db2.gz VTLGVAGDRQLHCS-UHFFFAOYSA-N 1 2 317.292 3.360 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1[C@@H]1CCCO1 ZINC000289786090 221224893 /nfs/dbraw/zinc/22/48/93/221224893.db2.gz MYONPXGHYNXPJZ-GJZGRUSLSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1[C@@H]1CCCO1 ZINC000289786090 221224895 /nfs/dbraw/zinc/22/48/95/221224895.db2.gz MYONPXGHYNXPJZ-GJZGRUSLSA-N 1 2 308.353 3.123 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(CO)CC1 ZINC000290021739 221385293 /nfs/dbraw/zinc/38/52/93/221385293.db2.gz PJSWWAJVIOFNCU-UHFFFAOYSA-N 1 2 319.188 3.106 20 5 DGBDLO COCc1cc([N+](=O)[O-])ccc1NCCCc1[nH+]cccc1C ZINC000295010397 224376320 /nfs/dbraw/zinc/37/63/20/224376320.db2.gz PFQXBLCBORILJM-UHFFFAOYSA-N 1 2 315.373 3.489 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000470181061 533382767 /nfs/dbraw/zinc/38/27/67/533382767.db2.gz XKDLXFJJJNEKMD-XXYUJHKVSA-N 1 2 320.389 3.270 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000470181061 533382770 /nfs/dbraw/zinc/38/27/70/533382770.db2.gz XKDLXFJJJNEKMD-XXYUJHKVSA-N 1 2 320.389 3.270 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000470181059 533382974 /nfs/dbraw/zinc/38/29/74/533382974.db2.gz XKDLXFJJJNEKMD-RNQWEJQRSA-N 1 2 320.389 3.270 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000470181059 533382978 /nfs/dbraw/zinc/38/29/78/533382978.db2.gz XKDLXFJJJNEKMD-RNQWEJQRSA-N 1 2 320.389 3.270 20 5 DGBDLO Cc1ccsc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006998244 400095988 /nfs/dbraw/zinc/09/59/88/400095988.db2.gz PQWVZWVHSAVWCI-UHFFFAOYSA-N 1 2 316.386 3.473 20 5 DGBDLO Cc1ccsc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006998244 400095991 /nfs/dbraw/zinc/09/59/91/400095991.db2.gz PQWVZWVHSAVWCI-UHFFFAOYSA-N 1 2 316.386 3.473 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000595105339 400108096 /nfs/dbraw/zinc/10/80/96/400108096.db2.gz DGJDGEJFVAIBNW-NEPJUHHUSA-N 1 2 318.377 3.139 20 5 DGBDLO Cc1noc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595284678 400116852 /nfs/dbraw/zinc/11/68/52/400116852.db2.gz AZECALFUGNVZLM-UHFFFAOYSA-N 1 2 305.309 3.195 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595284678 400116857 /nfs/dbraw/zinc/11/68/57/400116857.db2.gz AZECALFUGNVZLM-UHFFFAOYSA-N 1 2 305.309 3.195 20 5 DGBDLO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1F ZINC000595297349 400122302 /nfs/dbraw/zinc/12/23/02/400122302.db2.gz RNNLNUDDHYHNCP-UHFFFAOYSA-N 1 2 307.325 3.443 20 5 DGBDLO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1F ZINC000595297349 400122305 /nfs/dbraw/zinc/12/23/05/400122305.db2.gz RNNLNUDDHYHNCP-UHFFFAOYSA-N 1 2 307.325 3.443 20 5 DGBDLO Cc1noc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000595332635 400128960 /nfs/dbraw/zinc/12/89/60/400128960.db2.gz OHLSLGPBAQDCSE-JQWIXIFHSA-N 1 2 305.334 3.457 20 5 DGBDLO Cc1noc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000595332635 400128965 /nfs/dbraw/zinc/12/89/65/400128965.db2.gz OHLSLGPBAQDCSE-JQWIXIFHSA-N 1 2 305.334 3.457 20 5 DGBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000091703528 400132084 /nfs/dbraw/zinc/13/20/84/400132084.db2.gz PWIRZPBTYFAMQS-NSHDSACASA-N 1 2 312.329 3.324 20 5 DGBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000091703528 400132087 /nfs/dbraw/zinc/13/20/87/400132087.db2.gz PWIRZPBTYFAMQS-NSHDSACASA-N 1 2 312.329 3.324 20 5 DGBDLO Cc1noc(C[NH2+][C@@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000595433585 400149799 /nfs/dbraw/zinc/14/97/99/400149799.db2.gz XVVFXFRGWAONPV-VIFPVBQESA-N 1 2 301.302 3.488 20 5 DGBDLO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595454687 400154701 /nfs/dbraw/zinc/15/47/01/400154701.db2.gz NNPASNCZZDBOFQ-XFXZXTDPSA-N 1 2 301.346 3.427 20 5 DGBDLO C/C(=C/c1ccccc1)C[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595454687 400154706 /nfs/dbraw/zinc/15/47/06/400154706.db2.gz NNPASNCZZDBOFQ-XFXZXTDPSA-N 1 2 301.346 3.427 20 5 DGBDLO Cc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595453855 400155267 /nfs/dbraw/zinc/15/52/67/400155267.db2.gz HROKDJJGUUOCTN-SNVBAGLBSA-N 1 2 321.299 3.302 20 5 DGBDLO Cc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595453855 400155274 /nfs/dbraw/zinc/15/52/74/400155274.db2.gz HROKDJJGUUOCTN-SNVBAGLBSA-N 1 2 321.299 3.302 20 5 DGBDLO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000586794962 400158762 /nfs/dbraw/zinc/15/87/62/400158762.db2.gz FPOGSLDYMRPNBY-IAQYHMDHSA-N 1 2 300.362 3.130 20 5 DGBDLO CSc1ccccc1[C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595472810 400161367 /nfs/dbraw/zinc/16/13/67/400161367.db2.gz QQZKWACOHNYGMW-VIFPVBQESA-N 1 2 307.375 3.464 20 5 DGBDLO C[N@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015299347 400163302 /nfs/dbraw/zinc/16/33/02/400163302.db2.gz MYSDAHGRXKIRIN-UHFFFAOYSA-N 1 2 320.370 3.155 20 5 DGBDLO C[N@@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015299347 400163306 /nfs/dbraw/zinc/16/33/06/400163306.db2.gz MYSDAHGRXKIRIN-UHFFFAOYSA-N 1 2 320.370 3.155 20 5 DGBDLO Cc1noc(C[NH+]2CCC(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595478983 400164028 /nfs/dbraw/zinc/16/40/28/400164028.db2.gz YOLRCGXQHAVQBA-UHFFFAOYSA-N 1 2 307.272 3.056 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000093640317 400251995 /nfs/dbraw/zinc/25/19/95/400251995.db2.gz XSPWDQOPMAEKPK-UHFFFAOYSA-N 1 2 304.390 3.473 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000093640317 400251998 /nfs/dbraw/zinc/25/19/98/400251998.db2.gz XSPWDQOPMAEKPK-UHFFFAOYSA-N 1 2 304.390 3.473 20 5 DGBDLO CC(C)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)C ZINC000609850161 400195483 /nfs/dbraw/zinc/19/54/83/400195483.db2.gz CKCKIRCGJWSJIV-INIZCTEOSA-N 1 2 322.405 3.093 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000023618711 400211985 /nfs/dbraw/zinc/21/19/85/400211985.db2.gz LBQWJQZIXKZILZ-UHFFFAOYSA-N 1 2 302.309 3.473 20 5 DGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595812662 400266971 /nfs/dbraw/zinc/26/69/71/400266971.db2.gz YICNEAHVNILQBA-ONGXEEELSA-N 1 2 311.179 3.199 20 5 DGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595812662 400266976 /nfs/dbraw/zinc/26/69/76/400266976.db2.gz YICNEAHVNILQBA-ONGXEEELSA-N 1 2 311.179 3.199 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610585388 400279963 /nfs/dbraw/zinc/27/99/63/400279963.db2.gz MTLLFGYWEFINOU-GPCCPHFNSA-N 1 2 323.780 3.060 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2CCC[C@H]21 ZINC000610585388 400279967 /nfs/dbraw/zinc/27/99/67/400279967.db2.gz MTLLFGYWEFINOU-GPCCPHFNSA-N 1 2 323.780 3.060 20 5 DGBDLO Cc1c(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595912768 400293609 /nfs/dbraw/zinc/29/36/09/400293609.db2.gz BCIOLTURJGZSTR-BONVTDFDSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1c(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595912768 400293615 /nfs/dbraw/zinc/29/36/15/400293615.db2.gz BCIOLTURJGZSTR-BONVTDFDSA-N 1 2 314.332 3.148 20 5 DGBDLO CC12CC(C1)C[N@@H+]2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595920523 400295253 /nfs/dbraw/zinc/29/52/53/400295253.db2.gz SXUWMWCMDABTOR-UHFFFAOYSA-N 1 2 311.179 3.342 20 5 DGBDLO CC12CC(C1)C[N@H+]2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595920523 400295257 /nfs/dbraw/zinc/29/52/57/400295257.db2.gz SXUWMWCMDABTOR-UHFFFAOYSA-N 1 2 311.179 3.342 20 5 DGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000610729631 400297899 /nfs/dbraw/zinc/29/78/99/400297899.db2.gz WVYVZTHJOSLPAZ-INIZCTEOSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000610729631 400297902 /nfs/dbraw/zinc/29/79/02/400297902.db2.gz WVYVZTHJOSLPAZ-INIZCTEOSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1cc([NH+]2CCCC2)ccc1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596054155 400304762 /nfs/dbraw/zinc/30/47/62/400304762.db2.gz JQCPLFAVKACTTD-UHFFFAOYSA-N 1 2 314.345 3.348 20 5 DGBDLO Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])s1 ZINC000596157920 400335100 /nfs/dbraw/zinc/33/51/00/400335100.db2.gz JZILZLJDSWRYAI-GXFFZTMASA-N 1 2 306.391 3.249 20 5 DGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611561513 400422358 /nfs/dbraw/zinc/42/23/58/400422358.db2.gz UUQWAXIMZXTRFZ-GXSJLCMTSA-N 1 2 318.295 3.463 20 5 DGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611561513 400422361 /nfs/dbraw/zinc/42/23/61/400422361.db2.gz UUQWAXIMZXTRFZ-GXSJLCMTSA-N 1 2 318.295 3.463 20 5 DGBDLO COc1cc(N[C@@H](C)c2[nH+]ccn2C)c(Cl)cc1[N+](=O)[O-] ZINC000596542149 400440179 /nfs/dbraw/zinc/44/01/79/400440179.db2.gz IVRHALATEVNMJO-QMMMGPOBSA-N 1 2 310.741 3.163 20 5 DGBDLO Cc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000128024890 400509709 /nfs/dbraw/zinc/50/97/09/400509709.db2.gz UKAXKGKPPCMAPT-UHFFFAOYSA-N 1 2 323.356 3.311 20 5 DGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCSCC1 ZINC000602437222 400461374 /nfs/dbraw/zinc/46/13/74/400461374.db2.gz FTCWVMMEEYXWKY-UHFFFAOYSA-N 1 2 306.309 3.162 20 5 DGBDLO CCO[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591141097 400491755 /nfs/dbraw/zinc/49/17/55/400491755.db2.gz XFHHLSVSDFTAKY-CQSZACIVSA-N 1 2 301.346 3.148 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC2(CCCC2)O1 ZINC000592192299 400620784 /nfs/dbraw/zinc/62/07/84/400620784.db2.gz HUTNOWMGFJJAKZ-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC2(CCCC2)O1 ZINC000592192299 400620787 /nfs/dbraw/zinc/62/07/87/400620787.db2.gz HUTNOWMGFJJAKZ-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nnc(C)s1 ZINC000597243144 400598493 /nfs/dbraw/zinc/59/84/93/400598493.db2.gz FOPCUXJWRPKYHV-XFFZJAGNSA-N 1 2 318.402 3.290 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nnc(C)s1 ZINC000597243144 400598499 /nfs/dbraw/zinc/59/84/99/400598499.db2.gz FOPCUXJWRPKYHV-XFFZJAGNSA-N 1 2 318.402 3.290 20 5 DGBDLO CC[C@H](C)N(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597853414 400680404 /nfs/dbraw/zinc/68/04/04/400680404.db2.gz ALIONKYNFMJQIX-LBPRGKRZSA-N 1 2 316.361 3.041 20 5 DGBDLO COc1cc(C[NH2+][C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])cc1F ZINC000613383419 400707493 /nfs/dbraw/zinc/70/74/93/400707493.db2.gz QNZCQGJKDPCCFM-QMMMGPOBSA-N 1 2 323.324 3.198 20 5 DGBDLO COC[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599044240 400936474 /nfs/dbraw/zinc/93/64/74/400936474.db2.gz NVLZAFKFOUOFCQ-GFCCVEGCSA-N 1 2 301.346 3.006 20 5 DGBDLO CCOC[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599052957 400939826 /nfs/dbraw/zinc/93/98/26/400939826.db2.gz CGUMHVFAZJRTTH-GFCCVEGCSA-N 1 2 301.346 3.006 20 5 DGBDLO O=[N+]([O-])c1c(N[C@H]2CC[C@H](CO)CC2)ccc2c[nH+]ccc21 ZINC000599056607 400941011 /nfs/dbraw/zinc/94/10/11/400941011.db2.gz KGBIYIBMIFISIR-AULYBMBSSA-N 1 2 301.346 3.106 20 5 DGBDLO CO[C@@H]1CCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599062907 400944587 /nfs/dbraw/zinc/94/45/87/400944587.db2.gz SPRNSPGDURAOIF-SWLSCSKDSA-N 1 2 301.346 3.370 20 5 DGBDLO COC(=O)CCCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599012564 400927033 /nfs/dbraw/zinc/92/70/33/400927033.db2.gz GGNAHEKZCMACSG-UHFFFAOYSA-N 1 2 317.345 3.288 20 5 DGBDLO C[C@@H]1CSCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599082560 400953922 /nfs/dbraw/zinc/95/39/22/400953922.db2.gz ZMUXONZKTHQIBL-NSHDSACASA-N 1 2 303.387 3.332 20 5 DGBDLO C[C@@H]1C[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@H](C)O1 ZINC000599086659 400955656 /nfs/dbraw/zinc/95/56/56/400955656.db2.gz RMNGEVSOTGERHE-NQBHXWOUSA-N 1 2 301.346 3.368 20 5 DGBDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599163290 400982524 /nfs/dbraw/zinc/98/25/24/400982524.db2.gz FWJIQNYQWIHJRH-JNIYBQFBSA-N 1 2 301.346 3.367 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@]2(CCOC2)C1 ZINC000599088274 400957080 /nfs/dbraw/zinc/95/70/80/400957080.db2.gz PLFVVOOQMAYNPN-QGZVFWFLSA-N 1 2 313.357 3.150 20 5 DGBDLO Cc1cc(NCCCc2[nH]c3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000080602724 400966471 /nfs/dbraw/zinc/96/64/71/400966471.db2.gz HGUKYNNUWXJIMF-UHFFFAOYSA-N 1 2 311.345 3.219 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC000595007763 401228052 /nfs/dbraw/zinc/22/80/52/401228052.db2.gz JXJPNNZPGNHZCC-GFCCVEGCSA-N 1 2 318.377 3.232 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000282488642 292195918 /nfs/dbraw/zinc/19/59/18/292195918.db2.gz HPFGVBVJPZODMD-GFCCVEGCSA-N 1 2 317.393 3.101 20 5 DGBDLO CCN(CC)c1ccc(Nc2c([N+](=O)[O-])nc(C)n2CC)c[nH+]1 ZINC000360949878 286560703 /nfs/dbraw/zinc/56/07/03/286560703.db2.gz SRIOLTBIJGLPIN-UHFFFAOYSA-N 1 2 318.381 3.104 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1nc(C)no1 ZINC000361609555 286699086 /nfs/dbraw/zinc/69/90/86/286699086.db2.gz JDTVZOATWHPRHQ-ZJRUKIMVSA-N 1 2 302.334 3.040 20 5 DGBDLO CCN(CC)c1ccc(Nc2c([N+](=O)[O-])c(C)nn2CC)c[nH+]1 ZINC000192501775 165294183 /nfs/dbraw/zinc/29/41/83/165294183.db2.gz VYESNVDLROXVSN-UHFFFAOYSA-N 1 2 318.381 3.104 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000365443653 287132608 /nfs/dbraw/zinc/13/26/08/287132608.db2.gz OTIQNEXGKMNLOS-DMZKTXOQSA-N 1 2 324.446 3.061 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000365443653 287132611 /nfs/dbraw/zinc/13/26/11/287132611.db2.gz OTIQNEXGKMNLOS-DMZKTXOQSA-N 1 2 324.446 3.061 20 5 DGBDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182461293 432191495 /nfs/dbraw/zinc/19/14/95/432191495.db2.gz DAALHVRGWPYGIT-SNVBAGLBSA-N 1 2 308.769 3.175 20 5 DGBDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182461293 432191502 /nfs/dbraw/zinc/19/15/02/432191502.db2.gz DAALHVRGWPYGIT-SNVBAGLBSA-N 1 2 308.769 3.175 20 5 DGBDLO C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000269675107 432195679 /nfs/dbraw/zinc/19/56/79/432195679.db2.gz YKZACVYBDUTHSP-IINYFYTJSA-N 1 2 322.315 3.157 20 5 DGBDLO O=[N+]([O-])c1ccsc1NCc1ccccc1-n1cc[nH+]c1 ZINC000301983679 230018359 /nfs/dbraw/zinc/01/83/59/230018359.db2.gz BWMNMZZLKLNWNT-UHFFFAOYSA-N 1 2 300.343 3.454 20 5 DGBDLO O=[N+]([O-])c1ccsc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000301991315 230022594 /nfs/dbraw/zinc/02/25/94/230022594.db2.gz NDHOITJEYYSCHC-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c(F)c1 ZINC000352619048 265106708 /nfs/dbraw/zinc/10/67/08/265106708.db2.gz XYOBHEPNKMEILX-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccc(F)cc3C2)c(F)c1 ZINC000352619048 265106709 /nfs/dbraw/zinc/10/67/09/265106709.db2.gz XYOBHEPNKMEILX-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccc(F)cc1 ZINC000355539743 266107218 /nfs/dbraw/zinc/10/72/18/266107218.db2.gz FGYWKEBXJDFMPZ-NSHDSACASA-N 1 2 306.341 3.051 20 5 DGBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccc(F)cc1 ZINC000355539743 266107220 /nfs/dbraw/zinc/10/72/20/266107220.db2.gz FGYWKEBXJDFMPZ-NSHDSACASA-N 1 2 306.341 3.051 20 5 DGBDLO CC1=CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000270383775 432239901 /nfs/dbraw/zinc/23/99/01/432239901.db2.gz WQMBXQWWMCFZDE-LLVKDONJSA-N 1 2 323.780 3.227 20 5 DGBDLO CC1=CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000270383775 432239906 /nfs/dbraw/zinc/23/99/06/432239906.db2.gz WQMBXQWWMCFZDE-LLVKDONJSA-N 1 2 323.780 3.227 20 5 DGBDLO COc1cc(C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000184225094 274093993 /nfs/dbraw/zinc/09/39/93/274093993.db2.gz SGCDVKSEGYWBJA-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cc(C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000184225094 274093994 /nfs/dbraw/zinc/09/39/94/274093994.db2.gz SGCDVKSEGYWBJA-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO CCc1cc(NCCCCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000610076605 430564206 /nfs/dbraw/zinc/56/42/06/430564206.db2.gz ZTISELGDIZGLKA-UHFFFAOYSA-N 1 2 300.362 3.382 20 5 DGBDLO COc1c(C)c[nH+]c(COc2ccc([N+](=O)[O-])cc2C=O)c1C ZINC000071907275 431314257 /nfs/dbraw/zinc/31/42/57/431314257.db2.gz WIEWTKRUBQZWFM-UHFFFAOYSA-N 1 2 316.313 3.007 20 5 DGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000010165247 431455767 /nfs/dbraw/zinc/45/57/67/431455767.db2.gz ROZMZVFHXPOZBB-UHFFFAOYSA-N 1 2 303.343 3.272 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1[N+](=O)[O-] ZINC000121205837 431754133 /nfs/dbraw/zinc/75/41/33/431754133.db2.gz XVSWGYHSMJEJSH-AWEZNQCLSA-N 1 2 300.362 3.006 20 5 DGBDLO Cc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1[N+](=O)[O-] ZINC000121205837 431754137 /nfs/dbraw/zinc/75/41/37/431754137.db2.gz XVSWGYHSMJEJSH-AWEZNQCLSA-N 1 2 300.362 3.006 20 5 DGBDLO COc1c(C)c[nH+]c(COc2cc(C=O)ccc2[N+](=O)[O-])c1C ZINC000122148057 431816399 /nfs/dbraw/zinc/81/63/99/431816399.db2.gz ZRVPUETVBVTIHX-UHFFFAOYSA-N 1 2 316.313 3.007 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccs3)CC2)c(F)c1 ZINC000121427166 431786294 /nfs/dbraw/zinc/78/62/94/431786294.db2.gz BVRJUEZDOWBFCB-UHFFFAOYSA-N 1 2 321.377 3.118 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ncc(C)s1 ZINC000124333994 431890913 /nfs/dbraw/zinc/89/09/13/431890913.db2.gz CYGORKCUYLGXHQ-SNVBAGLBSA-N 1 2 307.375 3.219 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125462481 431926951 /nfs/dbraw/zinc/92/69/51/431926951.db2.gz DILFWHJJLCZKDW-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125462481 431926953 /nfs/dbraw/zinc/92/69/53/431926953.db2.gz DILFWHJJLCZKDW-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccncc1 ZINC000183742962 432322100 /nfs/dbraw/zinc/32/21/00/432322100.db2.gz RRLOJXXNZHVXET-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccncc1 ZINC000183742962 432322103 /nfs/dbraw/zinc/32/21/03/432322103.db2.gz RRLOJXXNZHVXET-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO COc1cc(C[N@H+](C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])cc1F ZINC000184288219 432374659 /nfs/dbraw/zinc/37/46/59/432374659.db2.gz XSKSANKKMMKLTO-NSHDSACASA-N 1 2 319.336 3.331 20 5 DGBDLO COc1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])cc1F ZINC000184288219 432374663 /nfs/dbraw/zinc/37/46/63/432374663.db2.gz XSKSANKKMMKLTO-NSHDSACASA-N 1 2 319.336 3.331 20 5 DGBDLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000192763959 432410846 /nfs/dbraw/zinc/41/08/46/432410846.db2.gz KYHMNSQHSGERLV-NEPJUHHUSA-N 1 2 316.361 3.119 20 5 DGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000154136172 432475201 /nfs/dbraw/zinc/47/52/01/432475201.db2.gz YQJGACKDGKUZLT-UHFFFAOYSA-N 1 2 322.324 3.248 20 5 DGBDLO COc1cccc(NCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000185655628 432520813 /nfs/dbraw/zinc/52/08/13/432520813.db2.gz XAJBGMBYQKMMSR-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000273550623 432610638 /nfs/dbraw/zinc/61/06/38/432610638.db2.gz BVGKLZQHBBRLSE-VHSXEESVSA-N 1 2 306.391 3.475 20 5 DGBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1OCCc2ccccc21 ZINC000263732642 432571182 /nfs/dbraw/zinc/57/11/82/432571182.db2.gz QDKZOOBAMUWXEJ-HNNXBMFYSA-N 1 2 318.398 3.402 20 5 DGBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1OCCc2ccccc21 ZINC000263732642 432571186 /nfs/dbraw/zinc/57/11/86/432571186.db2.gz QDKZOOBAMUWXEJ-HNNXBMFYSA-N 1 2 318.398 3.402 20 5 DGBDLO COc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000157889042 432632064 /nfs/dbraw/zinc/63/20/64/432632064.db2.gz RQLOGQSQYYRFNI-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000157889042 432632067 /nfs/dbraw/zinc/63/20/67/432632067.db2.gz RQLOGQSQYYRFNI-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000274261481 432644200 /nfs/dbraw/zinc/64/42/00/432644200.db2.gz UWJQFFPDHYLPAK-ZJUUUORDSA-N 1 2 306.391 3.475 20 5 DGBDLO Cc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)c2c([nH+]1)CCCC2 ZINC000302096983 282011468 /nfs/dbraw/zinc/01/14/68/282011468.db2.gz OMKUPKQLBDZYPN-UHFFFAOYSA-N 1 2 324.384 3.135 20 5 DGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1F ZINC000274349045 432655722 /nfs/dbraw/zinc/65/57/22/432655722.db2.gz WQAJOYUACKMKPD-AWEZNQCLSA-N 1 2 319.336 3.408 20 5 DGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1F ZINC000274349045 432655724 /nfs/dbraw/zinc/65/57/24/432655724.db2.gz WQAJOYUACKMKPD-AWEZNQCLSA-N 1 2 319.336 3.408 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245462563 432834086 /nfs/dbraw/zinc/83/40/86/432834086.db2.gz GNTQEAPLGWOKKM-NVXWUHKLSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245462563 432834088 /nfs/dbraw/zinc/83/40/88/432834088.db2.gz GNTQEAPLGWOKKM-NVXWUHKLSA-N 1 2 320.389 3.137 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000268040929 432839018 /nfs/dbraw/zinc/83/90/18/432839018.db2.gz OKMOIRBMQATSFT-UHFFFAOYSA-N 1 2 314.389 3.323 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278795579 432902096 /nfs/dbraw/zinc/90/20/96/432902096.db2.gz QRRYLBZCRLWZKG-OTYXRUKQSA-N 1 2 318.402 3.483 20 5 DGBDLO COc1cc[nH+]cc1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000341382651 433042686 /nfs/dbraw/zinc/04/26/86/433042686.db2.gz FQTBHEDLQRWZSR-UHFFFAOYSA-N 1 2 318.720 3.050 20 5 DGBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361257908 433062696 /nfs/dbraw/zinc/06/26/96/433062696.db2.gz IUVNUUBSEAUZQG-LLVKDONJSA-N 1 2 311.345 3.059 20 5 DGBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361257908 433062702 /nfs/dbraw/zinc/06/27/02/433062702.db2.gz IUVNUUBSEAUZQG-LLVKDONJSA-N 1 2 311.345 3.059 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccn(C(F)F)n2)c(Cl)c1 ZINC000341567536 433138425 /nfs/dbraw/zinc/13/84/25/433138425.db2.gz ZNDCFCIEOKSQHO-UHFFFAOYSA-N 1 2 316.695 3.130 20 5 DGBDLO Cc1ccc(F)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446852784 433120797 /nfs/dbraw/zinc/12/07/97/433120797.db2.gz QYOBRCYHSQSTPD-UHFFFAOYSA-N 1 2 314.320 3.208 20 5 DGBDLO CC(C)OCCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413252303 433268652 /nfs/dbraw/zinc/26/86/52/433268652.db2.gz YUFQQLJIELDVIW-UHFFFAOYSA-N 1 2 303.362 3.760 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C(F)F)no2)cc1[N+](=O)[O-] ZINC000425464735 433252921 /nfs/dbraw/zinc/25/29/21/433252921.db2.gz YCTFKIZDGXNTLV-MRVPVSSYSA-N 1 2 312.276 3.075 20 5 DGBDLO CC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413133319 433257418 /nfs/dbraw/zinc/25/74/18/433257418.db2.gz CBGQHARECDRDIF-FZMZJTMJSA-N 1 2 301.346 3.147 20 5 DGBDLO CC[C@@]1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413258930 433267307 /nfs/dbraw/zinc/26/73/07/433267307.db2.gz PSWCFJLCZCXUJJ-INIZCTEOSA-N 1 2 301.346 3.148 20 5 DGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000454196423 433315693 /nfs/dbraw/zinc/31/56/93/433315693.db2.gz JLBHXGPCJNMOEH-NSHDSACASA-N 1 2 317.349 3.002 20 5 DGBDLO Cc1ccc(C(C)(C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000339088039 433353458 /nfs/dbraw/zinc/35/34/58/433353458.db2.gz KNRKQNIZXYERCE-UHFFFAOYSA-N 1 2 301.346 3.029 20 5 DGBDLO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339111915 433366683 /nfs/dbraw/zinc/36/66/83/433366683.db2.gz JCCOWZBQOCIOPV-LLVKDONJSA-N 1 2 306.284 3.367 20 5 DGBDLO COc1cccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339066546 433335341 /nfs/dbraw/zinc/33/53/41/433335341.db2.gz UCLNRHXFWZZQQV-LLVKDONJSA-N 1 2 302.330 3.160 20 5 DGBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](CC)O1 ZINC000420947489 433341084 /nfs/dbraw/zinc/34/10/84/433341084.db2.gz CTZJKWDWCPNWKN-BETUJISGSA-N 1 2 319.361 3.125 20 5 DGBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](CC)O1 ZINC000420947489 433341094 /nfs/dbraw/zinc/34/10/94/433341094.db2.gz CTZJKWDWCPNWKN-BETUJISGSA-N 1 2 319.361 3.125 20 5 DGBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])s1 ZINC000339139227 433387784 /nfs/dbraw/zinc/38/77/84/433387784.db2.gz VMBJZWYUIBHCRY-UHFFFAOYSA-N 1 2 314.326 3.094 20 5 DGBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCCCC3)[nH+]c2)s1 ZINC000281834069 433398109 /nfs/dbraw/zinc/39/81/09/433398109.db2.gz HNMFAMNFTDZSKT-UHFFFAOYSA-N 1 2 305.363 3.180 20 5 DGBDLO COCC[N@H+](Cc1cncs1)Cc1ccc([N+](=O)[O-])cc1C ZINC000448370433 433401009 /nfs/dbraw/zinc/40/10/09/433401009.db2.gz IHECYSIBSKFXBI-UHFFFAOYSA-N 1 2 321.402 3.008 20 5 DGBDLO COCC[N@@H+](Cc1cncs1)Cc1ccc([N+](=O)[O-])cc1C ZINC000448370433 433401021 /nfs/dbraw/zinc/40/10/21/433401021.db2.gz IHECYSIBSKFXBI-UHFFFAOYSA-N 1 2 321.402 3.008 20 5 DGBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000339213102 433442445 /nfs/dbraw/zinc/44/24/45/433442445.db2.gz POXMBMLWDNQOQI-LBPRGKRZSA-N 1 2 314.341 3.084 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000339213102 433442453 /nfs/dbraw/zinc/44/24/53/433442453.db2.gz POXMBMLWDNQOQI-LBPRGKRZSA-N 1 2 314.341 3.084 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2csnn2)cc1[N+](=O)[O-] ZINC000414309242 433532229 /nfs/dbraw/zinc/53/22/29/433532229.db2.gz UPOMRAZRUXWWGD-ZJUUUORDSA-N 1 2 322.390 3.257 20 5 DGBDLO COc1cc(NCc2cn3ccccc3[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000351396685 433501163 /nfs/dbraw/zinc/50/11/63/433501163.db2.gz KSUJNODDLADGRD-UHFFFAOYSA-N 1 2 316.292 3.002 20 5 DGBDLO CCC[C@H](CC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448815698 433565533 /nfs/dbraw/zinc/56/55/33/433565533.db2.gz HQZNYQTUEHIGMZ-ZDUSSCGKSA-N 1 2 316.361 3.089 20 5 DGBDLO C[C@H]([NH2+]Cc1nc2cccnc2s1)c1ccccc1[N+](=O)[O-] ZINC000342287996 433589405 /nfs/dbraw/zinc/58/94/05/433589405.db2.gz XZEBGTHAQUFGAG-JTQLQIEISA-N 1 2 314.370 3.450 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000362347442 433654635 /nfs/dbraw/zinc/65/46/35/433654635.db2.gz VXTQJSXBSNMMRK-UHFFFAOYSA-N 1 2 319.267 3.280 20 5 DGBDLO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1cccc(F)c1 ZINC000370055968 293152574 /nfs/dbraw/zinc/15/25/74/293152574.db2.gz NZTRPXNAAFALFJ-XHDPSFHLSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1cccc(F)c1 ZINC000370055968 293152575 /nfs/dbraw/zinc/15/25/75/293152575.db2.gz NZTRPXNAAFALFJ-XHDPSFHLSA-N 1 2 318.352 3.051 20 5 DGBDLO Cc1c(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000362432523 433708114 /nfs/dbraw/zinc/70/81/14/433708114.db2.gz AKTXYGHPEALYJW-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1c(C[N@H+]2CCOC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000362432523 433708128 /nfs/dbraw/zinc/70/81/28/433708128.db2.gz AKTXYGHPEALYJW-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1cccc(CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)[nH+]1 ZINC000343223122 433786647 /nfs/dbraw/zinc/78/66/47/433786647.db2.gz IAKUJQBRPRGWHB-UHFFFAOYSA-N 1 2 322.368 3.891 20 5 DGBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000351966778 433822421 /nfs/dbraw/zinc/82/24/21/433822421.db2.gz DYKCHASGJHTLLX-GJZGRUSLSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000351966778 433822428 /nfs/dbraw/zinc/82/24/28/433822428.db2.gz DYKCHASGJHTLLX-GJZGRUSLSA-N 1 2 308.353 3.123 20 5 DGBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC000362921883 433912620 /nfs/dbraw/zinc/91/26/20/433912620.db2.gz AFGLEVRAQQDSHA-DTWKUNHWSA-N 1 2 309.395 3.139 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3Cl)nc2c1 ZINC000352124083 433926012 /nfs/dbraw/zinc/92/60/12/433926012.db2.gz VNYIIKIIDWSKBB-UHFFFAOYSA-N 1 2 316.748 3.414 20 5 DGBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)[S@@]1=O ZINC000285417451 433943920 /nfs/dbraw/zinc/94/39/20/433943920.db2.gz BRLVCAXHJINBAE-WSFJGHHXSA-N 1 2 324.446 3.196 20 5 DGBDLO CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)[S@@]1=O ZINC000285417451 433943929 /nfs/dbraw/zinc/94/39/29/433943929.db2.gz BRLVCAXHJINBAE-WSFJGHHXSA-N 1 2 324.446 3.196 20 5 DGBDLO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000285448181 433951144 /nfs/dbraw/zinc/95/11/44/433951144.db2.gz XTYVIFGZACRCQJ-SECBINFHSA-N 1 2 302.346 3.200 20 5 DGBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000285448181 433951151 /nfs/dbraw/zinc/95/11/51/433951151.db2.gz XTYVIFGZACRCQJ-SECBINFHSA-N 1 2 302.346 3.200 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000378493400 293800394 /nfs/dbraw/zinc/80/03/94/293800394.db2.gz VBHBVKBEYLWMTF-ZDUSSCGKSA-N 1 2 306.753 3.308 20 5 DGBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H](C)O1 ZINC000303458862 433940018 /nfs/dbraw/zinc/94/00/18/433940018.db2.gz KXWYADIXRMCZCT-XJKSGUPXSA-N 1 2 322.405 3.381 20 5 DGBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H](C)O1 ZINC000303458862 433940024 /nfs/dbraw/zinc/94/00/24/433940024.db2.gz KXWYADIXRMCZCT-XJKSGUPXSA-N 1 2 322.405 3.381 20 5 DGBDLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000353454412 434143536 /nfs/dbraw/zinc/14/35/36/434143536.db2.gz JWQZELMDZDHWBI-UHFFFAOYSA-N 1 2 314.407 3.210 20 5 DGBDLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000353454412 434143549 /nfs/dbraw/zinc/14/35/49/434143549.db2.gz JWQZELMDZDHWBI-UHFFFAOYSA-N 1 2 314.407 3.210 20 5 DGBDLO CC[C@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000393331734 434390840 /nfs/dbraw/zinc/39/08/40/434390840.db2.gz RWLPETDJFGPQBY-ZDUSSCGKSA-N 1 2 308.769 3.223 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000354041447 434591275 /nfs/dbraw/zinc/59/12/75/434591275.db2.gz UIZJSLLICLONAI-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000354041447 434591280 /nfs/dbraw/zinc/59/12/80/434591280.db2.gz UIZJSLLICLONAI-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000354055880 434595419 /nfs/dbraw/zinc/59/54/19/434595419.db2.gz AADZZTFETIKXSR-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000354055880 434595427 /nfs/dbraw/zinc/59/54/27/434595427.db2.gz AADZZTFETIKXSR-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(F)cc(C)cc1F ZINC000424139282 434633088 /nfs/dbraw/zinc/63/30/88/434633088.db2.gz ACQKNNNRENNVIR-UHFFFAOYSA-N 1 2 322.311 3.480 20 5 DGBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522556017 434925505 /nfs/dbraw/zinc/92/55/05/434925505.db2.gz JCJDSLQQQFUPHF-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522556017 434925508 /nfs/dbraw/zinc/92/55/08/434925508.db2.gz JCJDSLQQQFUPHF-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000556922220 435037924 /nfs/dbraw/zinc/03/79/24/435037924.db2.gz GGKCJCBHNDIKFO-CQSZACIVSA-N 1 2 320.389 3.209 20 5 DGBDLO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000556922220 435037926 /nfs/dbraw/zinc/03/79/26/435037926.db2.gz GGKCJCBHNDIKFO-CQSZACIVSA-N 1 2 320.389 3.209 20 5 DGBDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000532115276 435140712 /nfs/dbraw/zinc/14/07/12/435140712.db2.gz QREXFZUJCJTGLR-MRXNPFEDSA-N 1 2 323.356 3.233 20 5 DGBDLO CCOC(=O)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000538749820 435520397 /nfs/dbraw/zinc/52/03/97/435520397.db2.gz HSSIYDKLAJBSHH-UHFFFAOYSA-N 1 2 320.389 3.211 20 5 DGBDLO CCOC(=O)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000538749820 435520402 /nfs/dbraw/zinc/52/04/02/435520402.db2.gz HSSIYDKLAJBSHH-UHFFFAOYSA-N 1 2 320.389 3.211 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C2CC2)O1 ZINC000548425134 435691924 /nfs/dbraw/zinc/69/19/24/435691924.db2.gz QLHPOYXHIMFJCT-BMIGLBTASA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C2CC2)O1 ZINC000548425134 435691928 /nfs/dbraw/zinc/69/19/28/435691928.db2.gz QLHPOYXHIMFJCT-BMIGLBTASA-N 1 2 310.781 3.248 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOC4(CCCC4)C3)c2c1 ZINC000571861256 435747506 /nfs/dbraw/zinc/74/75/06/435747506.db2.gz ISSLKESNSBSFFZ-UHFFFAOYSA-N 1 2 313.357 3.292 20 5 DGBDLO CSc1cccc(C(=O)Nc2cc(C)[nH+]cc2C)c1[N+](=O)[O-] ZINC000548602952 435704892 /nfs/dbraw/zinc/70/48/92/435704892.db2.gz YWKPVEYMCPYIOZ-UHFFFAOYSA-N 1 2 317.370 3.003 20 5 DGBDLO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c(F)c1 ZINC000572727739 435860452 /nfs/dbraw/zinc/86/04/52/435860452.db2.gz OPWJRKZXMDYKBI-UHFFFAOYSA-N 1 2 320.320 3.041 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000337265540 303072924 /nfs/dbraw/zinc/07/29/24/303072924.db2.gz UIJHZHVXEYOSJK-INIZCTEOSA-N 1 2 318.352 3.195 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000337265540 303072925 /nfs/dbraw/zinc/07/29/25/303072925.db2.gz UIJHZHVXEYOSJK-INIZCTEOSA-N 1 2 318.352 3.195 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1CCCCC1 ZINC000577932903 316285105 /nfs/dbraw/zinc/28/51/05/316285105.db2.gz RZIZBAKDXKQUED-UHFFFAOYSA-N 1 2 319.405 3.172 20 5 DGBDLO CC(C)CCc1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180416201 323229604 /nfs/dbraw/zinc/22/96/04/323229604.db2.gz DTVATCWQEYNQBL-GFCCVEGCSA-N 1 2 318.377 3.417 20 5 DGBDLO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2cc[nH]n2)c2ccccc2)c1 ZINC000180493983 323230383 /nfs/dbraw/zinc/23/03/83/323230383.db2.gz OTLJAWQPVRTQNT-QGZVFWFLSA-N 1 2 308.341 3.197 20 5 DGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000184810948 323374055 /nfs/dbraw/zinc/37/40/55/323374055.db2.gz GBEGHIWAFKPMBW-AWEZNQCLSA-N 1 2 304.346 3.228 20 5 DGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1C2CCC1CC2 ZINC000583356909 324342481 /nfs/dbraw/zinc/34/24/81/324342481.db2.gz TXEIOIRDPRGFLM-WHXUTIOJSA-N 1 2 323.780 3.202 20 5 DGBDLO C[C@@H]1CCC[C@@]1(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413291555 533813457 /nfs/dbraw/zinc/81/34/57/533813457.db2.gz DZWCLOBGAJQNJI-BDJLRTHQSA-N 1 2 301.346 3.106 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000428688601 534326322 /nfs/dbraw/zinc/32/63/22/534326322.db2.gz HOJYCLFJCHDRSE-UHFFFAOYSA-N 1 2 300.362 3.072 20 5 DGBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000339204538 523181409 /nfs/dbraw/zinc/18/14/09/523181409.db2.gz HOSVHANGNKSSFB-UHFFFAOYSA-N 1 2 300.305 3.310 20 5 DGBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000339204538 523181415 /nfs/dbraw/zinc/18/14/15/523181415.db2.gz HOSVHANGNKSSFB-UHFFFAOYSA-N 1 2 300.305 3.310 20 5 DGBDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000444779754 528487466 /nfs/dbraw/zinc/48/74/66/528487466.db2.gz LKIVURKCGSUSEW-QGZVFWFLSA-N 1 2 320.389 3.293 20 5 DGBDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000444779754 528487474 /nfs/dbraw/zinc/48/74/74/528487474.db2.gz LKIVURKCGSUSEW-QGZVFWFLSA-N 1 2 320.389 3.293 20 5 DGBDLO C[C@@H](OC(=O)c1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000728464121 576183936 /nfs/dbraw/zinc/18/39/36/576183936.db2.gz OVBNBNLMBBRTGB-LLVKDONJSA-N 1 2 311.297 3.161 20 5 DGBDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH+]1 ZINC000804774195 617666568 /nfs/dbraw/zinc/66/65/68/617666568.db2.gz DXCUMXIFARALLE-UHFFFAOYSA-N 1 2 316.317 3.251 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2c2ccc(F)cc2[N+](=O)[O-])[nH+]c1C ZINC000895192472 618571611 /nfs/dbraw/zinc/57/16/11/618571611.db2.gz HVRGDBZZHFBHQB-CYBMUJFWSA-N 1 2 304.325 3.415 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000895346597 618599267 /nfs/dbraw/zinc/59/92/67/618599267.db2.gz KKQDZLTYHFIQRC-UHFFFAOYSA-N 1 2 316.336 3.210 20 5 DGBDLO O=[N+]([O-])c1ccsc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895354423 618601888 /nfs/dbraw/zinc/60/18/88/618601888.db2.gz YNIKNAWBFSQOCL-UHFFFAOYSA-N 1 2 304.375 3.132 20 5 DGBDLO CCn1c[nH+]c2c1CCN(c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000896654857 618941692 /nfs/dbraw/zinc/94/16/92/618941692.db2.gz PAIVPSNCFODVGS-UHFFFAOYSA-N 1 2 306.753 3.027 20 5 DGBDLO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000927113257 619267531 /nfs/dbraw/zinc/26/75/31/619267531.db2.gz YBFIJKBZLVLPIV-LLVKDONJSA-N 1 2 300.362 3.057 20 5 DGBDLO CCc1cc(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)on1 ZINC000903100095 619716335 /nfs/dbraw/zinc/71/63/35/619716335.db2.gz PHTLCGUPLKAECY-SNVBAGLBSA-N 1 2 305.334 3.005 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000903333872 619759115 /nfs/dbraw/zinc/75/91/15/619759115.db2.gz URIMSSJWVHRWJC-MLGOLLRUSA-N 1 2 312.373 3.495 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nccc3c2CCCC3)c(F)c1 ZINC000922466287 621042206 /nfs/dbraw/zinc/04/22/06/621042206.db2.gz HINUFKWSKKXOIS-UHFFFAOYSA-N 1 2 315.348 3.298 20 5 DGBDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1 ZINC000858012235 621144920 /nfs/dbraw/zinc/14/49/20/621144920.db2.gz XZESXYDOTWHHOB-CYBMUJFWSA-N 1 2 319.386 3.013 20 5 DGBDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1 ZINC000858012235 621144923 /nfs/dbraw/zinc/14/49/23/621144923.db2.gz XZESXYDOTWHHOB-CYBMUJFWSA-N 1 2 319.386 3.013 20 5 DGBDLO Cc1cc([N+](=O)[O-])c(C(=O)OCCCn2cc[nH+]c2)cc1Cl ZINC000838346884 621235966 /nfs/dbraw/zinc/23/59/66/621235966.db2.gz XXYLKKLEHAGIGT-UHFFFAOYSA-N 1 2 323.736 3.000 20 5 DGBDLO COc1cc(C[NH2+][C@@H](C)c2ccns2)c([N+](=O)[O-])cc1F ZINC000860059122 621361219 /nfs/dbraw/zinc/36/12/19/621361219.db2.gz UOGHFXDFSIDXSI-QMMMGPOBSA-N 1 2 311.338 3.050 20 5 DGBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccn(C)n1 ZINC000756743725 621662122 /nfs/dbraw/zinc/66/21/22/621662122.db2.gz VAXWISSPMKBHNE-ZDUSSCGKSA-N 1 2 308.769 3.223 20 5 DGBDLO Cc1nc2[nH]ccc2c(NCc2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC000756972982 621676868 /nfs/dbraw/zinc/67/68/68/621676868.db2.gz HNEMYYBLWJKWHG-UHFFFAOYSA-N 1 2 317.736 3.440 20 5 DGBDLO CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2s1)n1cc[nH+]c1 ZINC000865948384 622024818 /nfs/dbraw/zinc/02/48/18/622024818.db2.gz MAXDCCIROJUWQH-UHFFFAOYSA-N 1 2 317.374 3.248 20 5 DGBDLO Cc1nn(C[N@@H+](C)Cc2cc(C)cc(C)c2)c(C)c1[N+](=O)[O-] ZINC000766093154 622305645 /nfs/dbraw/zinc/30/56/45/622305645.db2.gz TZWSVIBKZRRXDO-UHFFFAOYSA-N 1 2 302.378 3.114 20 5 DGBDLO Cc1nn(C[N@H+](C)Cc2cc(C)cc(C)c2)c(C)c1[N+](=O)[O-] ZINC000766093154 622305648 /nfs/dbraw/zinc/30/56/48/622305648.db2.gz TZWSVIBKZRRXDO-UHFFFAOYSA-N 1 2 302.378 3.114 20 5 DGBDLO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040127 622768539 /nfs/dbraw/zinc/76/85/39/622768539.db2.gz KPALRJXJYRGVFG-DOMZBBRYSA-N 1 2 318.348 3.427 20 5 DGBDLO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872084489 622796580 /nfs/dbraw/zinc/79/65/80/622796580.db2.gz IXMXIXIHJBRBPG-PHEKWQANSA-N 1 2 316.332 3.043 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000774814925 623195259 /nfs/dbraw/zinc/19/52/59/623195259.db2.gz OFBQFCBHWJBOIO-OAHLLOKOSA-N 1 2 313.313 3.450 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000774814925 623195261 /nfs/dbraw/zinc/19/52/61/623195261.db2.gz OFBQFCBHWJBOIO-OAHLLOKOSA-N 1 2 313.313 3.450 20 5 DGBDLO Cc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000774835999 623197437 /nfs/dbraw/zinc/19/74/37/623197437.db2.gz OJIOCBBTVMSFNN-UHFFFAOYSA-N 1 2 315.329 3.443 20 5 DGBDLO Cc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000774835999 623197438 /nfs/dbraw/zinc/19/74/38/623197438.db2.gz OJIOCBBTVMSFNN-UHFFFAOYSA-N 1 2 315.329 3.443 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCc2ncsc2C1 ZINC000877462614 623894152 /nfs/dbraw/zinc/89/41/52/623894152.db2.gz UINLZOWUFVUFRZ-UHFFFAOYSA-N 1 2 303.387 3.226 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCc2ncsc2C1 ZINC000877462614 623894155 /nfs/dbraw/zinc/89/41/55/623894155.db2.gz UINLZOWUFVUFRZ-UHFFFAOYSA-N 1 2 303.387 3.226 20 5 DGBDLO COc1cnc(F)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000877545519 623936137 /nfs/dbraw/zinc/93/61/37/623936137.db2.gz HPOTUEXGLSLUIX-UHFFFAOYSA-N 1 2 319.336 3.162 20 5 DGBDLO NC(Cc1cccc(F)c1)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000783147956 624315554 /nfs/dbraw/zinc/31/55/54/624315554.db2.gz JESFAWMTHXPBOV-UHFFFAOYSA-N 1 2 321.283 3.114 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000805748005 624373147 /nfs/dbraw/zinc/37/31/47/624373147.db2.gz KTXSFFPOSJUPSK-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000805748005 624373149 /nfs/dbraw/zinc/37/31/49/624373149.db2.gz KTXSFFPOSJUPSK-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO Nc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000804340460 626671374 /nfs/dbraw/zinc/67/13/74/626671374.db2.gz YHLYKNYXEXBOOR-UHFFFAOYSA-N 1 2 313.361 3.306 20 5 DGBDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1CO ZINC000809986085 626965801 /nfs/dbraw/zinc/96/58/01/626965801.db2.gz YIMVXFOKWCWLRT-PELKAZGASA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1CO ZINC000809986085 626965804 /nfs/dbraw/zinc/96/58/04/626965804.db2.gz YIMVXFOKWCWLRT-PELKAZGASA-N 1 2 319.188 3.104 20 5 DGBDLO Cc1ccc(C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC2CC2)cn1 ZINC000886265648 627127866 /nfs/dbraw/zinc/12/78/66/627127866.db2.gz NRVCKEMHQUXGII-UHFFFAOYSA-N 1 2 312.373 3.105 20 5 DGBDLO Cc1ccc(C[N@H+](Cc2cccnc2[N+](=O)[O-])CC2CC2)cn1 ZINC000886265648 627127868 /nfs/dbraw/zinc/12/78/68/627127868.db2.gz NRVCKEMHQUXGII-UHFFFAOYSA-N 1 2 312.373 3.105 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000925497837 627742429 /nfs/dbraw/zinc/74/24/29/627742429.db2.gz ZGPKQGTVDHPSDZ-CHWSQXEVSA-N 1 2 317.393 3.487 20 5 DGBDLO Cc1cc(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1[NH+](C)C ZINC000819408356 628149485 /nfs/dbraw/zinc/14/94/85/628149485.db2.gz POPPUXBUJDZDDF-QGZVFWFLSA-N 1 2 315.373 3.115 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CCO)c1ccccc1F ZINC000830350492 629257277 /nfs/dbraw/zinc/25/72/77/629257277.db2.gz DGKQHMHZAYDBDC-HNNXBMFYSA-N 1 2 322.311 3.086 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2coc(CC)n2)cc1[N+](=O)[O-] ZINC000834899524 629803022 /nfs/dbraw/zinc/80/30/22/629803022.db2.gz QPWAMFAGWOBSKQ-LLVKDONJSA-N 1 2 319.361 3.395 20 5 DGBDLO Cc1cc(F)ccc1C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000793545067 661044147 /nfs/dbraw/zinc/04/41/47/661044147.db2.gz MDJDLNAGIGMNCN-UHFFFAOYSA-N 1 2 318.352 3.076 20 5 DGBDLO CC(C)([NH2+]Cc1cnc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000795220595 661134249 /nfs/dbraw/zinc/13/42/49/661134249.db2.gz TXXAQMJGXCIUBY-UHFFFAOYSA-N 1 2 306.753 3.063 20 5 DGBDLO C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)Cn1cc[nH+]c1 ZINC001331535517 1178237888 /nfs/dbraw/zinc/23/78/88/1178237888.db2.gz HGZZXGFUDQKHEJ-LBPRGKRZSA-N 1 2 311.345 3.088 20 5 DGBDLO C[C@]1(Br)C[C@@H]1C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335421461 1178908248 /nfs/dbraw/zinc/90/82/48/1178908248.db2.gz NAHZWOQOJKYNNM-YPMHNXCESA-N 1 2 311.179 3.084 20 5 DGBDLO C[C@]1(Br)C[C@@H]1C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335421461 1178908250 /nfs/dbraw/zinc/90/82/50/1178908250.db2.gz NAHZWOQOJKYNNM-YPMHNXCESA-N 1 2 311.179 3.084 20 5 DGBDLO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC001344075998 1179375038 /nfs/dbraw/zinc/37/50/38/1179375038.db2.gz QUNWNBDAEIQODM-AWEZNQCLSA-N 1 2 300.362 3.006 20 5 DGBDLO Cc1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC001344075998 1179375046 /nfs/dbraw/zinc/37/50/46/1179375046.db2.gz QUNWNBDAEIQODM-AWEZNQCLSA-N 1 2 300.362 3.006 20 5 DGBDLO CC(C)(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001344126218 1179382184 /nfs/dbraw/zinc/38/21/84/1179382184.db2.gz HXPAXGLOPHPCEA-UHFFFAOYSA-N 1 2 323.736 3.037 20 5 DGBDLO COc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1[N+](=O)[O-] ZINC001200223327 1180464393 /nfs/dbraw/zinc/46/43/93/1180464393.db2.gz HGNRMARTBKFQHG-UHFFFAOYSA-N 1 2 319.386 3.227 20 5 DGBDLO O=C(Nc1ccsc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001360655282 1181629346 /nfs/dbraw/zinc/62/93/46/1181629346.db2.gz JJLPMPZHZGORAA-UHFFFAOYSA-N 1 2 314.326 3.094 20 5 DGBDLO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC001460610790 1182699523 /nfs/dbraw/zinc/69/95/23/1182699523.db2.gz REHVBOVBNMFRSS-ZDUSSCGKSA-N 1 2 313.195 3.171 20 5 DGBDLO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC001460610790 1182699525 /nfs/dbraw/zinc/69/95/25/1182699525.db2.gz REHVBOVBNMFRSS-ZDUSSCGKSA-N 1 2 313.195 3.171 20 5 DGBDLO C[C@H]([NH2+][C@@H](CO)c1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001460953347 1182746567 /nfs/dbraw/zinc/74/65/67/1182746567.db2.gz RGIAUCJWBJULFT-BONVTDFDSA-N 1 2 322.311 3.257 20 5 DGBDLO Cc1ccnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC001461723829 1182846075 /nfs/dbraw/zinc/84/60/75/1182846075.db2.gz GIRVGFSKSWWIKI-UHFFFAOYSA-N 1 2 323.299 3.189 20 5 DGBDLO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001473795393 1183805268 /nfs/dbraw/zinc/80/52/68/1183805268.db2.gz BCZVFOCJZABSDO-JTQLQIEISA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001473795393 1183805269 /nfs/dbraw/zinc/80/52/69/1183805269.db2.gz BCZVFOCJZABSDO-JTQLQIEISA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001535809707 1187978547 /nfs/dbraw/zinc/97/85/47/1187978547.db2.gz LNVAGHNJDWRRMP-YPMHNXCESA-N 1 2 315.329 3.126 20 5 DGBDLO Cc1cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001640046878 1194793356 /nfs/dbraw/zinc/79/33/56/1194793356.db2.gz CJELEQKGHFBBFM-UHFFFAOYSA-N 1 2 302.290 3.127 20 5 DGBDLO Cc1cnc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)c([N+](=O)[O-])c1 ZINC001640327226 1194806738 /nfs/dbraw/zinc/80/67/38/1194806738.db2.gz ZUAMGMOYDFSXDW-OAHLLOKOSA-N 1 2 323.356 3.348 20 5 DGBDLO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001642819044 1194942748 /nfs/dbraw/zinc/94/27/48/1194942748.db2.gz MERFZRMQKUMKDN-CVEARBPZSA-N 1 2 322.405 3.374 20 5 DGBDLO CCc1[nH]c(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c[nH+]1 ZINC001643240373 1195007582 /nfs/dbraw/zinc/00/75/82/1195007582.db2.gz CNXNLJXVJMZMIC-UHFFFAOYSA-N 1 2 312.276 3.094 20 5 DGBDLO CCc1[nH]cc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[nH+]1 ZINC001643240373 1195007585 /nfs/dbraw/zinc/00/75/85/1195007585.db2.gz CNXNLJXVJMZMIC-UHFFFAOYSA-N 1 2 312.276 3.094 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001645070466 1195153937 /nfs/dbraw/zinc/15/39/37/1195153937.db2.gz VKHBIPXRBCCACS-LLVKDONJSA-N 1 2 324.340 3.094 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1 ZINC001652954606 1195675140 /nfs/dbraw/zinc/67/51/40/1195675140.db2.gz SPNHZZBPAWXODC-MNOVXSKESA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1 ZINC001652954606 1195675143 /nfs/dbraw/zinc/67/51/43/1195675143.db2.gz SPNHZZBPAWXODC-MNOVXSKESA-N 1 2 302.708 3.335 20 5 DGBDLO COc1nscc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001653726593 1195746797 /nfs/dbraw/zinc/74/67/97/1195746797.db2.gz ALLVAWLPDYTIFC-UHFFFAOYSA-N 1 2 307.375 3.085 20 5 DGBDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC001655775770 1195961609 /nfs/dbraw/zinc/96/16/09/1195961609.db2.gz SKHAMRLCSDVWRO-HNNXBMFYSA-N 1 2 301.321 3.333 20 5 DGBDLO C[N@H+]1Cc2ccccc2[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC001655775770 1195961612 /nfs/dbraw/zinc/96/16/12/1195961612.db2.gz SKHAMRLCSDVWRO-HNNXBMFYSA-N 1 2 301.321 3.333 20 5 DGBDLO CC(C)(F)C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001656751269 1196067839 /nfs/dbraw/zinc/06/78/39/1196067839.db2.gz JAZZSKPODAVPFL-UHFFFAOYSA-N 1 2 305.147 3.195 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001657864675 1196186650 /nfs/dbraw/zinc/18/66/50/1196186650.db2.gz IFPNRBFCIVSFMT-MNOVXSKESA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001657864675 1196186654 /nfs/dbraw/zinc/18/66/54/1196186654.db2.gz IFPNRBFCIVSFMT-MNOVXSKESA-N 1 2 302.708 3.335 20 5 DGBDLO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCc1cc[nH+]c(N)c1 ZINC001167616616 1082608835 /nfs/dbraw/zinc/60/88/35/1082608835.db2.gz KITZBHUEQGQFLG-UHFFFAOYSA-N 1 2 322.752 3.155 20 5 DGBDLO C[NH+]1CC(NC(=O)CCc2c3ccccc3cc3ccccc32)C1 ZINC001182412633 1083713764 /nfs/dbraw/zinc/71/37/64/1083713764.db2.gz IRVNPQJJMRGDJC-UHFFFAOYSA-N 1 2 318.420 3.356 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1c[nH+]cn1CC1CCC1 ZINC001161530161 1089270802 /nfs/dbraw/zinc/27/08/02/1089270802.db2.gz VUBUHDAYCRJSGD-UHFFFAOYSA-N 1 2 321.768 3.252 20 5 DGBDLO c1cn(CCCNc2ncnc3cc4ccccc4cc32)c[nH+]1 ZINC001161682543 1089345173 /nfs/dbraw/zinc/34/51/73/1089345173.db2.gz UIXIADPATQPMCX-UHFFFAOYSA-N 1 2 303.369 3.482 20 5 DGBDLO COc1ccc([C@H]([NH2+]CC[N+](=O)[O-])c2ccccc2Cl)cc1 ZINC001120497746 1094443125 /nfs/dbraw/zinc/44/31/25/1094443125.db2.gz YZRQDDCWMXYDPX-INIZCTEOSA-N 1 2 320.776 3.304 20 5 DGBDLO O=[N+]([O-])c1ccc2c(ccnc2N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC001120821214 1094533999 /nfs/dbraw/zinc/53/39/99/1094533999.db2.gz JSDYVURRIOIDFV-UHFFFAOYSA-N 1 2 323.356 3.250 20 5 DGBDLO O=[N+]([O-])c1c(O[C@H]2CC[NH2+]CC2(F)F)ccc2ccccc21 ZINC001218009090 1094557637 /nfs/dbraw/zinc/55/76/37/1094557637.db2.gz FFGYBUZDKKYBBH-ZDUSSCGKSA-N 1 2 308.284 3.124 20 5 DGBDLO Cc1c([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cnn1C ZINC001119002107 1096122100 /nfs/dbraw/zinc/12/21/00/1096122100.db2.gz FERWLFWGEILYOJ-NXEZZACHSA-N 1 2 306.341 3.188 20 5 DGBDLO O=[N+]([O-])c1c(F)cccc1N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001225295884 1096388342 /nfs/dbraw/zinc/38/83/42/1096388342.db2.gz OERNYBJKNKPVOS-UHFFFAOYSA-N 1 2 317.320 3.177 20 5 DGBDLO C[N@@H+]1CCO[C@H](COc2nc3ccccc3c3ccccc32)C1 ZINC001226993113 1096839483 /nfs/dbraw/zinc/83/94/83/1096839483.db2.gz RJRSJFNVRAILRN-AWEZNQCLSA-N 1 2 308.381 3.097 20 5 DGBDLO C[N@H+]1CCO[C@H](COc2nc3ccccc3c3ccccc32)C1 ZINC001226993113 1096839490 /nfs/dbraw/zinc/83/94/90/1096839490.db2.gz RJRSJFNVRAILRN-AWEZNQCLSA-N 1 2 308.381 3.097 20 5 DGBDLO CCOc1cc(C[N@@H+]2C[C@H](CC)OC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC001171777708 1096970328 /nfs/dbraw/zinc/97/03/28/1096970328.db2.gz DCSCANQBNRIUGC-GJZGRUSLSA-N 1 2 322.405 3.383 20 5 DGBDLO CCOc1cc(C[N@H+]2C[C@H](CC)OC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC001171777708 1096970334 /nfs/dbraw/zinc/97/03/34/1096970334.db2.gz DCSCANQBNRIUGC-GJZGRUSLSA-N 1 2 322.405 3.383 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H](F)C[C@H]2C)c1F ZINC001173178298 1097355821 /nfs/dbraw/zinc/35/58/21/1097355821.db2.gz AERZWZUFQUJCHI-VWYCJHECSA-N 1 2 314.332 3.106 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H](F)C[C@H]2C)c1F ZINC001173178298 1097355825 /nfs/dbraw/zinc/35/58/25/1097355825.db2.gz AERZWZUFQUJCHI-VWYCJHECSA-N 1 2 314.332 3.106 20 5 DGBDLO CCN(C)c1ccc(Nc2ccc(OC)c([N+](=O)[O-])c2)c[nH+]1 ZINC001176362513 1098332965 /nfs/dbraw/zinc/33/29/65/1098332965.db2.gz BGYMBGOYPBIFPR-UHFFFAOYSA-N 1 2 302.334 3.198 20 5 DGBDLO Cc1c(C[NH2+]Cc2nc3cc(F)ccc3o2)cccc1[N+](=O)[O-] ZINC001178478213 1098846778 /nfs/dbraw/zinc/84/67/78/1098846778.db2.gz RDYLCUYAFROWSE-UHFFFAOYSA-N 1 2 315.304 3.473 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(CCF)CC2)c(F)c1 ZINC001196759330 1101374762 /nfs/dbraw/zinc/37/47/62/1101374762.db2.gz ODQKERNGGPYPJR-UHFFFAOYSA-N 1 2 302.296 3.445 20 5 DGBDLO O=[N+]([O-])c1cc(O)cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001201223235 1102532540 /nfs/dbraw/zinc/53/25/40/1102532540.db2.gz ZEHYQIQKBDPJTJ-UHFFFAOYSA-N 1 2 310.313 3.289 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(c3ccc(F)cc3)C2)c(F)c1 ZINC001328220015 1103877701 /nfs/dbraw/zinc/87/77/01/1103877701.db2.gz KXFXMWYLWIPXQV-UHFFFAOYSA-N 1 2 304.296 3.472 20 5 DGBDLO COc1cc2[nH]c(Cc3ccccc3[N+](=O)[O-])[nH+]c2cc1OC ZINC001250616241 1105547810 /nfs/dbraw/zinc/54/78/10/1105547810.db2.gz FUMUKAZMYJUAGF-UHFFFAOYSA-N 1 2 313.313 3.079 20 5 DGBDLO CN(C)c1ccc2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)[nH+]c2c1 ZINC001250899264 1105601770 /nfs/dbraw/zinc/60/17/70/1105601770.db2.gz KRKUPZQTZRKCEZ-UHFFFAOYSA-N 1 2 300.293 3.343 20 5 DGBDLO CC(C)Cc1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001322348569 1107644730 /nfs/dbraw/zinc/64/47/30/1107644730.db2.gz AMUGRKIZBAZXMA-UHFFFAOYSA-N 1 2 313.317 3.029 20 5 DGBDLO Cc1ccc2[nH+]cc(CN3Cc4ccc([N+](=O)[O-])cc4C3)n2c1 ZINC001323321154 1107933338 /nfs/dbraw/zinc/93/33/38/1107933338.db2.gz FJRWASQSCHVVMR-UHFFFAOYSA-N 1 2 308.341 3.067 20 5 DGBDLO C[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000154400612 529773987 /nfs/dbraw/zinc/77/39/87/529773987.db2.gz XYJIODUTTWUARP-UHFFFAOYSA-N 1 2 317.414 3.071 20 5 DGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000428661198 530015392 /nfs/dbraw/zinc/01/53/92/530015392.db2.gz GYYPLTFWMORYQB-UHFFFAOYSA-N 1 2 320.780 3.417 20 5 DGBDLO Cc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000287196744 219374643 /nfs/dbraw/zinc/37/46/43/219374643.db2.gz TUQMBEYLAGTRBL-UHFFFAOYSA-N 1 2 314.345 3.005 20 5 DGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H]1C ZINC000072875575 191246612 /nfs/dbraw/zinc/24/66/12/191246612.db2.gz GLTVKRDTBHMREL-ZJUUUORDSA-N 1 2 311.769 3.060 20 5 DGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H]1C ZINC000072875575 191246613 /nfs/dbraw/zinc/24/66/13/191246613.db2.gz GLTVKRDTBHMREL-ZJUUUORDSA-N 1 2 311.769 3.060 20 5 DGBDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174839322 198392306 /nfs/dbraw/zinc/39/23/06/198392306.db2.gz QWFKTZWHWKKOJG-UHFFFAOYSA-N 1 2 308.769 3.004 20 5 DGBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174839322 198392308 /nfs/dbraw/zinc/39/23/08/198392308.db2.gz QWFKTZWHWKKOJG-UHFFFAOYSA-N 1 2 308.769 3.004 20 5 DGBDLO Cc1ccn2c(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])cnc2c1 ZINC000179315593 432054046 /nfs/dbraw/zinc/05/40/46/432054046.db2.gz KLXQKYQXVACVQA-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cc1ccn2c(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])cnc2c1 ZINC000179315593 432054047 /nfs/dbraw/zinc/05/40/47/432054047.db2.gz KLXQKYQXVACVQA-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000179865143 432072528 /nfs/dbraw/zinc/07/25/28/432072528.db2.gz VJZOMVNVBYYYAC-GFCCVEGCSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000179865143 432072531 /nfs/dbraw/zinc/07/25/31/432072531.db2.gz VJZOMVNVBYYYAC-GFCCVEGCSA-N 1 2 302.330 3.076 20 5 DGBDLO COCc1cc([N+](=O)[O-])ccc1NCCCNc1cccc[nH+]1 ZINC000180410539 199155339 /nfs/dbraw/zinc/15/53/39/199155339.db2.gz CDWOMSKPLGJAFK-UHFFFAOYSA-N 1 2 316.361 3.050 20 5 DGBDLO O=C(C[N@@H+]1CCCC2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000187009105 200047601 /nfs/dbraw/zinc/04/76/01/200047601.db2.gz LLLNGNNQFMJNOX-UHFFFAOYSA-N 1 2 323.780 3.063 20 5 DGBDLO O=C(C[N@H+]1CCCC2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000187009105 200047603 /nfs/dbraw/zinc/04/76/03/200047603.db2.gz LLLNGNNQFMJNOX-UHFFFAOYSA-N 1 2 323.780 3.063 20 5 DGBDLO O=[N+]([O-])c1cccc2c(NCc3ccn4cc[nH+]c4c3)ccnc21 ZINC000432310036 238124558 /nfs/dbraw/zinc/12/45/58/238124558.db2.gz DTCWMYUFDXFHRV-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000292573474 223155232 /nfs/dbraw/zinc/15/52/32/223155232.db2.gz FEXGHXJJWZEASO-UHFFFAOYSA-N 1 2 321.764 3.285 20 5 DGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000292781614 223245241 /nfs/dbraw/zinc/24/52/41/223245241.db2.gz YOZNCSDRATZALI-UHFFFAOYSA-N 1 2 321.764 3.285 20 5 DGBDLO Cn1ccnc1[C@H]([NH2+]CCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449355200 240153189 /nfs/dbraw/zinc/15/31/89/240153189.db2.gz WUUGRHWGBYUTAT-CYBMUJFWSA-N 1 2 324.331 3.053 20 5 DGBDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091810351 193110964 /nfs/dbraw/zinc/11/09/64/193110964.db2.gz NHJQCXXBEIULPI-GFCCVEGCSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091810351 193110966 /nfs/dbraw/zinc/11/09/66/193110966.db2.gz NHJQCXXBEIULPI-GFCCVEGCSA-N 1 2 302.330 3.076 20 5 DGBDLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451547669 241167998 /nfs/dbraw/zinc/16/79/98/241167998.db2.gz LLLMIBDKYFEUSJ-RISCZKNCSA-N 1 2 316.361 3.227 20 5 DGBDLO Cc1nc([C@@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451547669 241168004 /nfs/dbraw/zinc/16/80/04/241168004.db2.gz LLLMIBDKYFEUSJ-RISCZKNCSA-N 1 2 316.361 3.227 20 5 DGBDLO Cc1c([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000282927164 217330671 /nfs/dbraw/zinc/33/06/71/217330671.db2.gz YELSCPGHKKDDCH-GFCCVEGCSA-N 1 2 317.393 3.101 20 5 DGBDLO Cc1c(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000285350603 218392616 /nfs/dbraw/zinc/39/26/16/218392616.db2.gz LHIJAGAJXXGWJI-INIZCTEOSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1c(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000285350603 218392618 /nfs/dbraw/zinc/39/26/18/218392618.db2.gz LHIJAGAJXXGWJI-INIZCTEOSA-N 1 2 300.362 3.354 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066849341 285160265 /nfs/dbraw/zinc/16/02/65/285160265.db2.gz QXONRDTWZZVVNH-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066849341 285160267 /nfs/dbraw/zinc/16/02/67/285160267.db2.gz QXONRDTWZZVVNH-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000343273066 254122400 /nfs/dbraw/zinc/12/24/00/254122400.db2.gz RBHSJFGZPUKERO-INIZCTEOSA-N 1 2 323.356 3.440 20 5 DGBDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000343273067 254122642 /nfs/dbraw/zinc/12/26/42/254122642.db2.gz RBHSJFGZPUKERO-MRXNPFEDSA-N 1 2 323.356 3.440 20 5 DGBDLO Cc1cc(N2CCC[C@@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343059916 254092877 /nfs/dbraw/zinc/09/28/77/254092877.db2.gz BJSSTQRYOLVLIS-CYBMUJFWSA-N 1 2 316.336 3.299 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000345182287 254337962 /nfs/dbraw/zinc/33/79/62/254337962.db2.gz PZLBJHDARMJPEY-ZDUSSCGKSA-N 1 2 300.362 3.398 20 5 DGBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nccn1C ZINC000271651179 209095358 /nfs/dbraw/zinc/09/53/58/209095358.db2.gz BDBFLWWCZGHYPO-ZDUSSCGKSA-N 1 2 308.769 3.223 20 5 DGBDLO O=[N+]([O-])c1ccsc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000301940116 285275383 /nfs/dbraw/zinc/27/53/83/285275383.db2.gz UDUREXAGYYKXFS-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DGBDLO CC(C)Oc1cc[nH+]cc1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000290202851 221487219 /nfs/dbraw/zinc/48/72/19/221487219.db2.gz NTRYITHIWPFBGD-UHFFFAOYSA-N 1 2 322.342 3.196 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000470181060 533406434 /nfs/dbraw/zinc/40/64/34/533406434.db2.gz XKDLXFJJJNEKMD-SSUFTNFISA-N 1 2 320.389 3.270 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000470181060 533406438 /nfs/dbraw/zinc/40/64/38/533406438.db2.gz XKDLXFJJJNEKMD-SSUFTNFISA-N 1 2 320.389 3.270 20 5 DGBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000296745499 533505218 /nfs/dbraw/zinc/50/52/18/533505218.db2.gz PDOFWSJMNBYWCN-VHSXEESVSA-N 1 2 302.334 3.267 20 5 DGBDLO Cc1noc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000595286611 400117365 /nfs/dbraw/zinc/11/73/65/400117365.db2.gz DKJHFHYFKNQIPS-VIFPVBQESA-N 1 2 311.288 3.362 20 5 DGBDLO Cc1noc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000595286611 400117371 /nfs/dbraw/zinc/11/73/71/400117371.db2.gz DKJHFHYFKNQIPS-VIFPVBQESA-N 1 2 311.288 3.362 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000595034847 400083530 /nfs/dbraw/zinc/08/35/30/400083530.db2.gz YOGAVZCHPQSNNY-DTWKUNHWSA-N 1 2 322.390 3.175 20 5 DGBDLO CC[N@H+](CCOc1ccccc1C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595545296 400183926 /nfs/dbraw/zinc/18/39/26/400183926.db2.gz HFMIRECTCQMDDP-UHFFFAOYSA-N 1 2 319.361 3.101 20 5 DGBDLO CC[N@@H+](CCOc1ccccc1C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595545296 400183932 /nfs/dbraw/zinc/18/39/32/400183932.db2.gz HFMIRECTCQMDDP-UHFFFAOYSA-N 1 2 319.361 3.101 20 5 DGBDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595496833 400167791 /nfs/dbraw/zinc/16/77/91/400167791.db2.gz JHJLUSPPEIVQJO-ZDUSSCGKSA-N 1 2 319.361 3.483 20 5 DGBDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595496833 400167794 /nfs/dbraw/zinc/16/77/94/400167794.db2.gz JHJLUSPPEIVQJO-ZDUSSCGKSA-N 1 2 319.361 3.483 20 5 DGBDLO COc1cc[nH+]cc1CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000588923730 400245174 /nfs/dbraw/zinc/24/51/74/400245174.db2.gz IXRBSRSWNCBZES-UHFFFAOYSA-N 1 2 320.370 3.311 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595808531 400265663 /nfs/dbraw/zinc/26/56/63/400265663.db2.gz NNTXILQEHJZMNK-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595808531 400265666 /nfs/dbraw/zinc/26/56/66/400265666.db2.gz NNTXILQEHJZMNK-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2ccon2)CC1 ZINC000595829247 400272540 /nfs/dbraw/zinc/27/25/40/400272540.db2.gz SBNPIZMZQLLHMX-UHFFFAOYSA-N 1 2 305.309 3.102 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585390 400279944 /nfs/dbraw/zinc/27/99/44/400279944.db2.gz MTLLFGYWEFINOU-RULNRJAQSA-N 1 2 323.780 3.060 20 5 DGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585390 400279948 /nfs/dbraw/zinc/27/99/48/400279948.db2.gz MTLLFGYWEFINOU-RULNRJAQSA-N 1 2 323.780 3.060 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000610664675 400287077 /nfs/dbraw/zinc/28/70/77/400287077.db2.gz OMIZCOYWWIWQHN-UHFFFAOYSA-N 1 2 324.340 3.041 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595887700 400288138 /nfs/dbraw/zinc/28/81/38/400288138.db2.gz BEIAIWWXUXYWMJ-GWCFXTLKSA-N 1 2 318.295 3.137 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595887700 400288143 /nfs/dbraw/zinc/28/81/43/400288143.db2.gz BEIAIWWXUXYWMJ-GWCFXTLKSA-N 1 2 318.295 3.137 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595918293 400295383 /nfs/dbraw/zinc/29/53/83/400295383.db2.gz WJTHDSSQSPKWRJ-IINYFYTJSA-N 1 2 300.305 3.012 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595918293 400295385 /nfs/dbraw/zinc/29/53/85/400295385.db2.gz WJTHDSSQSPKWRJ-IINYFYTJSA-N 1 2 300.305 3.012 20 5 DGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCCNc1cccc[nH+]1 ZINC000589104432 400260197 /nfs/dbraw/zinc/26/01/97/400260197.db2.gz WVAHQQQNTWSONI-UHFFFAOYSA-N 1 2 308.288 3.451 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(NCC[NH+]2Cc3ccccc3C2)c(F)c1 ZINC000610987984 400333196 /nfs/dbraw/zinc/33/31/96/400333196.db2.gz WGOZCMXYPKATME-UHFFFAOYSA-N 1 2 319.311 3.301 20 5 DGBDLO Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])s1 ZINC000596172585 400339448 /nfs/dbraw/zinc/33/94/48/400339448.db2.gz LXSLLZOUAVTALY-LLVKDONJSA-N 1 2 304.375 3.051 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C)ccc1[N+](=O)[O-])CCC2 ZINC000611030535 400339385 /nfs/dbraw/zinc/33/93/85/400339385.db2.gz HKSJPFGYBFHXFA-CYBMUJFWSA-N 1 2 300.362 3.398 20 5 DGBDLO C[C@@]12COC[C@]1(C)CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C2 ZINC000596444738 400416055 /nfs/dbraw/zinc/41/60/55/400416055.db2.gz XTYCTKRRJWPTRG-CALCHBBNSA-N 1 2 313.357 3.006 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc(C2CC2)s1 ZINC000591256797 400503826 /nfs/dbraw/zinc/50/38/26/400503826.db2.gz DNIWYNUBNLKFSQ-JTQLQIEISA-N 1 2 318.402 3.483 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000046577560 400570573 /nfs/dbraw/zinc/57/05/73/400570573.db2.gz DFGXOEPBJVULBN-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000046577560 400570578 /nfs/dbraw/zinc/57/05/78/400570578.db2.gz DFGXOEPBJVULBN-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO CCC1C[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602688771 400539469 /nfs/dbraw/zinc/53/94/69/400539469.db2.gz AAJIOZOVLJSDIW-UHFFFAOYSA-N 1 2 305.197 3.261 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592189881 400620497 /nfs/dbraw/zinc/62/04/97/400620497.db2.gz YUQLSDVAPBNBPU-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592189881 400620502 /nfs/dbraw/zinc/62/05/02/400620502.db2.gz YUQLSDVAPBNBPU-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000149977746 400663240 /nfs/dbraw/zinc/66/32/40/400663240.db2.gz QZZONGVAKRYPJN-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000149977746 400663244 /nfs/dbraw/zinc/66/32/44/400663244.db2.gz QZZONGVAKRYPJN-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO CC[C@@H](C)N(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597853411 400680177 /nfs/dbraw/zinc/68/01/77/400680177.db2.gz ALIONKYNFMJQIX-GFCCVEGCSA-N 1 2 316.361 3.041 20 5 DGBDLO Cc1cc(C)c(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000593019747 400736059 /nfs/dbraw/zinc/73/60/59/400736059.db2.gz XJIYUCDGYONYBE-UHFFFAOYSA-N 1 2 317.320 3.235 20 5 DGBDLO Cn1c(CCNc2ccccc2[N+](=O)[O-])[nH+]c2ccc(F)cc21 ZINC000077209598 400695196 /nfs/dbraw/zinc/69/51/96/400695196.db2.gz HUPHNEFVPGUJOV-UHFFFAOYSA-N 1 2 314.320 3.275 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1Nc1cccc([NH+]2CCCCCC2)c1 ZINC000077235395 400700952 /nfs/dbraw/zinc/70/09/52/400700952.db2.gz CTEKOJQKDZWCPX-UHFFFAOYSA-N 1 2 315.377 3.452 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000053215915 400770628 /nfs/dbraw/zinc/77/06/28/400770628.db2.gz NFVKYRLJKGZVFU-UHFFFAOYSA-N 1 2 321.764 3.163 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000604408731 400773787 /nfs/dbraw/zinc/77/37/87/400773787.db2.gz BHRYCBRVYLJZMA-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DGBDLO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCS1 ZINC000599052497 400939227 /nfs/dbraw/zinc/93/92/27/400939227.db2.gz NZLBOKLAWYLVFF-GFCCVEGCSA-N 1 2 303.387 3.475 20 5 DGBDLO CO[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1(C)C ZINC000599063557 400944478 /nfs/dbraw/zinc/94/44/78/400944478.db2.gz ZVSILKCYTFEGJM-KBPBESRZSA-N 1 2 301.346 3.368 20 5 DGBDLO C[C@H]1C[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599065787 400946084 /nfs/dbraw/zinc/94/60/84/400946084.db2.gz QXTYGVSSPFWLLZ-RYUDHWBXSA-N 1 2 301.346 3.370 20 5 DGBDLO CC(C)[C@H](O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599066835 400946833 /nfs/dbraw/zinc/94/68/33/400946833.db2.gz WIVSAJQXJGZDMJ-INIZCTEOSA-N 1 2 315.373 3.352 20 5 DGBDLO CN(C[C@H]1CCCC[C@H]1O)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599066747 400947106 /nfs/dbraw/zinc/94/71/06/400947106.db2.gz UITXXOQICCHHCJ-CZUORRHYSA-N 1 2 315.373 3.130 20 5 DGBDLO CCN(CC)c1ccc(CNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000079927445 400907485 /nfs/dbraw/zinc/90/74/85/400907485.db2.gz RPXFGFMHEWPKCH-UHFFFAOYSA-N 1 2 300.362 3.448 20 5 DGBDLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599163293 400981955 /nfs/dbraw/zinc/98/19/55/400981955.db2.gz FWJIQNYQWIHJRH-ZVXAKGHKSA-N 1 2 301.346 3.367 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@]2(CC2(F)F)C1 ZINC000599098417 400959686 /nfs/dbraw/zinc/95/96/86/400959686.db2.gz TYDPXTNBKSCXEI-AWEZNQCLSA-N 1 2 305.284 3.379 20 5 DGBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000599496986 401059440 /nfs/dbraw/zinc/05/94/40/401059440.db2.gz NGIJCQYFOBZHMK-QGZVFWFLSA-N 1 2 320.389 3.291 20 5 DGBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000599496986 401059446 /nfs/dbraw/zinc/05/94/46/401059446.db2.gz NGIJCQYFOBZHMK-QGZVFWFLSA-N 1 2 320.389 3.291 20 5 DGBDLO C[C@@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599514807 401064753 /nfs/dbraw/zinc/06/47/53/401064753.db2.gz KQRFYVHDDXENMD-NXEZZACHSA-N 1 2 300.305 3.024 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)nc2c1 ZINC000083168747 401112735 /nfs/dbraw/zinc/11/27/35/401112735.db2.gz VVAPXIZXJVWQDF-CQSZACIVSA-N 1 2 312.329 3.401 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)nc2c1 ZINC000083168747 401112745 /nfs/dbraw/zinc/11/27/45/401112745.db2.gz VVAPXIZXJVWQDF-CQSZACIVSA-N 1 2 312.329 3.401 20 5 DGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2cc[nH+]c2)cc1OC ZINC000358920566 286187557 /nfs/dbraw/zinc/18/75/57/286187557.db2.gz AZUHSNCDQVEAKY-LBPRGKRZSA-N 1 2 319.361 3.273 20 5 DGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1cn2ccccc2[nH+]1 ZINC000359082015 286232715 /nfs/dbraw/zinc/23/27/15/286232715.db2.gz AXJQLJANDHQVFF-UHFFFAOYSA-N 1 2 312.329 3.001 20 5 DGBDLO CCOc1cc(NCCc2cccc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000359851160 286386187 /nfs/dbraw/zinc/38/61/87/286386187.db2.gz WUZRGQDAORCJJV-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339092279 286709143 /nfs/dbraw/zinc/70/91/43/286709143.db2.gz RTODWVSKGWFCBB-DZGCQCFKSA-N 1 2 310.419 3.454 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000364396988 287021923 /nfs/dbraw/zinc/02/19/23/287021923.db2.gz YRZSZIAVAKIPOH-AWEZNQCLSA-N 1 2 318.352 3.195 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000364396988 287021925 /nfs/dbraw/zinc/02/19/25/287021925.db2.gz YRZSZIAVAKIPOH-AWEZNQCLSA-N 1 2 318.352 3.195 20 5 DGBDLO C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130745928 196106854 /nfs/dbraw/zinc/10/68/54/196106854.db2.gz YXQRXGCUXFYLEY-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130745928 196106856 /nfs/dbraw/zinc/10/68/56/196106856.db2.gz YXQRXGCUXFYLEY-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000247310475 432221079 /nfs/dbraw/zinc/22/10/79/432221079.db2.gz IHGUYDNFORKMEE-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000247310475 432221085 /nfs/dbraw/zinc/22/10/85/432221085.db2.gz IHGUYDNFORKMEE-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000271632428 209078077 /nfs/dbraw/zinc/07/80/77/209078077.db2.gz ODKCCAOYXXRTJR-SECBINFHSA-N 1 2 314.267 3.311 20 5 DGBDLO O=[N+]([O-])c1cnc(Nc2cccc(Oc3cc[nH+]cc3)c2)nc1 ZINC000302147307 230125117 /nfs/dbraw/zinc/12/51/17/230125117.db2.gz IQJHQHFWMWHXNN-UHFFFAOYSA-N 1 2 309.285 3.316 20 5 DGBDLO COCCC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413302887 230183604 /nfs/dbraw/zinc/18/36/04/230183604.db2.gz PGFRTQQGEJQQAX-UHFFFAOYSA-N 1 2 301.346 3.006 20 5 DGBDLO Cc1cnn([C@@H]2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000413317734 230189501 /nfs/dbraw/zinc/18/95/01/230189501.db2.gz ZDRIHJYPODRZCC-OAHLLOKOSA-N 1 2 323.356 3.099 20 5 DGBDLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000346857163 264109720 /nfs/dbraw/zinc/10/97/20/264109720.db2.gz ZXJOVBKSLKOPHY-UHFFFAOYSA-N 1 2 315.373 3.247 20 5 DGBDLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000346857163 264109721 /nfs/dbraw/zinc/10/97/21/264109721.db2.gz ZXJOVBKSLKOPHY-UHFFFAOYSA-N 1 2 315.373 3.247 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC=C(c4ccco4)C3)nc2c1 ZINC000352543328 265083309 /nfs/dbraw/zinc/08/33/09/265083309.db2.gz CZNXFUBGWYZFCU-UHFFFAOYSA-N 1 2 324.340 3.353 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC=C(c4ccco4)C3)nc2c1 ZINC000352543328 265083311 /nfs/dbraw/zinc/08/33/11/265083311.db2.gz CZNXFUBGWYZFCU-UHFFFAOYSA-N 1 2 324.340 3.353 20 5 DGBDLO COc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000353116524 265303182 /nfs/dbraw/zinc/30/31/82/265303182.db2.gz GVKRWFMHDWQJQP-SECBINFHSA-N 1 2 323.299 3.127 20 5 DGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000355294241 266029928 /nfs/dbraw/zinc/02/99/28/266029928.db2.gz VYEKLVHBVTTXKR-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000355433205 266074013 /nfs/dbraw/zinc/07/40/13/266074013.db2.gz GBTGXOPKKKTEAT-CYBMUJFWSA-N 1 2 322.405 3.381 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000355433205 266074015 /nfs/dbraw/zinc/07/40/15/266074015.db2.gz GBTGXOPKKKTEAT-CYBMUJFWSA-N 1 2 322.405 3.381 20 5 DGBDLO Cc1ccc(Cc2noc(CCc3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000356119372 266289079 /nfs/dbraw/zinc/28/90/79/266289079.db2.gz ZCCFMEBZUYVJHA-UHFFFAOYSA-N 1 2 324.340 3.057 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000368638061 271185881 /nfs/dbraw/zinc/18/58/81/271185881.db2.gz LTTTUGYURNFGKV-NSHDSACASA-N 1 2 306.753 3.286 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069069192 431158537 /nfs/dbraw/zinc/15/85/37/431158537.db2.gz HRZLPLXKPTXDLF-GFCCVEGCSA-N 1 2 317.345 3.128 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000069069192 431158544 /nfs/dbraw/zinc/15/85/44/431158544.db2.gz HRZLPLXKPTXDLF-GFCCVEGCSA-N 1 2 317.345 3.128 20 5 DGBDLO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007486632 431351045 /nfs/dbraw/zinc/35/10/45/431351045.db2.gz OMOLDUHCSYLDGC-SNVBAGLBSA-N 1 2 311.769 3.061 20 5 DGBDLO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007486632 431351056 /nfs/dbraw/zinc/35/10/56/431351056.db2.gz OMOLDUHCSYLDGC-SNVBAGLBSA-N 1 2 311.769 3.061 20 5 DGBDLO COCC[N@H+](Cc1ccco1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116272631 431499917 /nfs/dbraw/zinc/49/99/17/431499917.db2.gz HLEIQWPGUHTWMT-UHFFFAOYSA-N 1 2 324.764 3.490 20 5 DGBDLO COCC[N@@H+](Cc1ccco1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116272631 431499922 /nfs/dbraw/zinc/49/99/22/431499922.db2.gz HLEIQWPGUHTWMT-UHFFFAOYSA-N 1 2 324.764 3.490 20 5 DGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC12CCC2 ZINC000425428082 280355849 /nfs/dbraw/zinc/35/58/49/280355849.db2.gz VWMWIHXURXCGCL-UHFFFAOYSA-N 1 2 311.179 3.486 20 5 DGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC12CCC2 ZINC000425428082 280355852 /nfs/dbraw/zinc/35/58/52/280355852.db2.gz VWMWIHXURXCGCL-UHFFFAOYSA-N 1 2 311.179 3.486 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000413203288 280371477 /nfs/dbraw/zinc/37/14/77/280371477.db2.gz MLYPVMOLNPGFIN-KBPBESRZSA-N 1 2 313.357 3.006 20 5 DGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccccc1[N+](=O)[O-])C2 ZINC000106369266 280672959 /nfs/dbraw/zinc/67/29/59/280672959.db2.gz CVCOPLCEPNLTSE-UHFFFAOYSA-N 1 2 300.362 3.014 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnc(C)s1 ZINC000175105917 432399696 /nfs/dbraw/zinc/39/96/96/432399696.db2.gz SZLBGDISMYTXKL-UHFFFAOYSA-N 1 2 321.402 3.390 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000175105917 432399704 /nfs/dbraw/zinc/39/97/04/432399704.db2.gz SZLBGDISMYTXKL-UHFFFAOYSA-N 1 2 321.402 3.390 20 5 DGBDLO COc1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184218494 432367956 /nfs/dbraw/zinc/36/79/56/432367956.db2.gz BIDOWXKNRCUPNY-ZJUUUORDSA-N 1 2 314.382 3.068 20 5 DGBDLO COc1cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184218494 432367958 /nfs/dbraw/zinc/36/79/58/432367958.db2.gz BIDOWXKNRCUPNY-ZJUUUORDSA-N 1 2 314.382 3.068 20 5 DGBDLO COC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184732778 432427553 /nfs/dbraw/zinc/42/75/53/432427553.db2.gz XZDZTPKLRUNKSG-ZDUSSCGKSA-N 1 2 308.309 3.113 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)Cc2ccccc2)cc1 ZINC000193692562 432491735 /nfs/dbraw/zinc/49/17/35/432491735.db2.gz SMPCZCOAWHIPFK-QGZVFWFLSA-N 1 2 323.352 3.062 20 5 DGBDLO O=[N+]([O-])c1cc(CNc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000155940580 432582418 /nfs/dbraw/zinc/58/24/18/432582418.db2.gz LGXVQAJKKLVJPO-UHFFFAOYSA-N 1 2 300.343 3.454 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000274215115 432639385 /nfs/dbraw/zinc/63/93/85/432639385.db2.gz NLPPVLJXFNMQDU-UWVGGRQHSA-N 1 2 306.391 3.475 20 5 DGBDLO O=[N+]([O-])c1c(NCc2ccn3cc[nH+]c3c2)ccc2ncccc21 ZINC000177861000 432668171 /nfs/dbraw/zinc/66/81/71/432668171.db2.gz HVRCSFBEMUGJDD-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO Cn1cc[nH+]c1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228848230 432720241 /nfs/dbraw/zinc/72/02/41/432720241.db2.gz PSGIRGOZLLIBNH-UHFFFAOYSA-N 1 2 301.133 3.247 20 5 DGBDLO C[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000276555136 432818377 /nfs/dbraw/zinc/81/83/77/432818377.db2.gz FVFXYNJIGMHRJU-GFCCVEGCSA-N 1 2 311.345 3.088 20 5 DGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276307195 432794981 /nfs/dbraw/zinc/79/49/81/432794981.db2.gz LFPGDSWJZDCVNE-UHFFFAOYSA-N 1 2 322.336 3.284 20 5 DGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276307195 432794984 /nfs/dbraw/zinc/79/49/84/432794984.db2.gz LFPGDSWJZDCVNE-UHFFFAOYSA-N 1 2 322.336 3.284 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000278332481 432892287 /nfs/dbraw/zinc/89/22/87/432892287.db2.gz ZIRRSKLGTLSOMH-AWEZNQCLSA-N 1 2 316.317 3.168 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000278332481 432892289 /nfs/dbraw/zinc/89/22/89/432892289.db2.gz ZIRRSKLGTLSOMH-AWEZNQCLSA-N 1 2 316.317 3.168 20 5 DGBDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000277454765 432850923 /nfs/dbraw/zinc/85/09/23/432850923.db2.gz PRRMCOWILVSEGO-GHMZBOCLSA-N 1 2 303.366 3.077 20 5 DGBDLO Cc1ccccc1OCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349615667 432982531 /nfs/dbraw/zinc/98/25/31/432982531.db2.gz LTFKCPCXHYUJBO-UHFFFAOYSA-N 1 2 316.357 3.120 20 5 DGBDLO Cc1ccccc1OCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349615667 432982534 /nfs/dbraw/zinc/98/25/34/432982534.db2.gz LTFKCPCXHYUJBO-UHFFFAOYSA-N 1 2 316.357 3.120 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332216541 432986048 /nfs/dbraw/zinc/98/60/48/432986048.db2.gz IRQMXCBFUCAGRV-MCMMXHMISA-N 1 2 324.446 3.197 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332216541 432986051 /nfs/dbraw/zinc/98/60/51/432986051.db2.gz IRQMXCBFUCAGRV-MCMMXHMISA-N 1 2 324.446 3.197 20 5 DGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000280309817 433031545 /nfs/dbraw/zinc/03/15/45/433031545.db2.gz BEDMQOWUFRWCJD-ZDUSSCGKSA-N 1 2 315.377 3.246 20 5 DGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000290446187 433054096 /nfs/dbraw/zinc/05/40/96/433054096.db2.gz COCLHBVCWMEHQV-VIFPVBQESA-N 1 2 314.267 3.311 20 5 DGBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263967 433066496 /nfs/dbraw/zinc/06/64/96/433066496.db2.gz YPGWIDIWDRXYFR-NSHDSACASA-N 1 2 311.345 3.059 20 5 DGBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263967 433066507 /nfs/dbraw/zinc/06/65/07/433066507.db2.gz YPGWIDIWDRXYFR-NSHDSACASA-N 1 2 311.345 3.059 20 5 DGBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361257172 433065184 /nfs/dbraw/zinc/06/51/84/433065184.db2.gz FNXIYJQJNPEGFV-LLVKDONJSA-N 1 2 311.345 3.059 20 5 DGBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361257172 433065191 /nfs/dbraw/zinc/06/51/91/433065191.db2.gz FNXIYJQJNPEGFV-LLVKDONJSA-N 1 2 311.345 3.059 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)nc2c1 ZINC000361268076 433073428 /nfs/dbraw/zinc/07/34/28/433073428.db2.gz UAAGCKSMXXMHSU-HNNXBMFYSA-N 1 2 311.345 3.136 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccc[nH]3)nc2c1 ZINC000361268076 433073442 /nfs/dbraw/zinc/07/34/42/433073442.db2.gz UAAGCKSMXXMHSU-HNNXBMFYSA-N 1 2 311.345 3.136 20 5 DGBDLO CCOC1(C)CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000298329504 433098525 /nfs/dbraw/zinc/09/85/25/433098525.db2.gz RJNGYQGQDQYORC-UHFFFAOYSA-N 1 2 314.332 3.264 20 5 DGBDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000447091932 433157802 /nfs/dbraw/zinc/15/78/02/433157802.db2.gz WKTBYJDZLQBHBB-UHFFFAOYSA-N 1 2 302.378 3.247 20 5 DGBDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000447091932 433157809 /nfs/dbraw/zinc/15/78/09/433157809.db2.gz WKTBYJDZLQBHBB-UHFFFAOYSA-N 1 2 302.378 3.247 20 5 DGBDLO CC1=C(C)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280764625 433166600 /nfs/dbraw/zinc/16/66/00/433166600.db2.gz ONKXRJBCKUNZGC-UHFFFAOYSA-N 1 2 323.780 3.229 20 5 DGBDLO CC1=C(C)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280764625 433166608 /nfs/dbraw/zinc/16/66/08/433166608.db2.gz ONKXRJBCKUNZGC-UHFFFAOYSA-N 1 2 323.780 3.229 20 5 DGBDLO CCC(=O)c1ccc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000280809074 433183692 /nfs/dbraw/zinc/18/36/92/433183692.db2.gz WTOXUKCFEQKUCR-LBPRGKRZSA-N 1 2 316.361 3.132 20 5 DGBDLO CO[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000413310239 433270735 /nfs/dbraw/zinc/27/07/35/433270735.db2.gz GTALPAHPQYHZPR-ABAIWWIYSA-N 1 2 301.346 3.004 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000281419398 433296998 /nfs/dbraw/zinc/29/69/98/433296998.db2.gz OPNXJIJWNIPFDD-INIZCTEOSA-N 1 2 300.362 3.056 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000281419398 433297005 /nfs/dbraw/zinc/29/70/05/433297005.db2.gz OPNXJIJWNIPFDD-INIZCTEOSA-N 1 2 300.362 3.056 20 5 DGBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccsc1 ZINC000421015537 433386804 /nfs/dbraw/zinc/38/68/04/433386804.db2.gz TWRSAMLXGDVXTH-NSHDSACASA-N 1 2 308.407 3.361 20 5 DGBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccsc1 ZINC000421015537 433386811 /nfs/dbraw/zinc/38/68/11/433386811.db2.gz TWRSAMLXGDVXTH-NSHDSACASA-N 1 2 308.407 3.361 20 5 DGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000339196130 289981239 /nfs/dbraw/zinc/98/12/39/289981239.db2.gz UOVSOFOBVBSZJW-JTQLQIEISA-N 1 2 312.329 3.028 20 5 DGBDLO COc1cc(OCc2c(C)[nH+]c3ccccn32)ccc1[N+](=O)[O-] ZINC000355936111 433558092 /nfs/dbraw/zinc/55/80/92/433558092.db2.gz RVJBWSLCOVJDNN-UHFFFAOYSA-N 1 2 313.313 3.139 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c(F)c1 ZINC000301524263 433596721 /nfs/dbraw/zinc/59/67/21/433596721.db2.gz IFVCLOABIJFHGI-UHFFFAOYSA-N 1 2 318.283 3.404 20 5 DGBDLO CCOc1cc(NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000315831198 292892510 /nfs/dbraw/zinc/89/25/10/292892510.db2.gz MFHRXTMGRWXOOP-UHFFFAOYSA-N 1 2 304.350 3.082 20 5 DGBDLO COC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342337866 433621826 /nfs/dbraw/zinc/62/18/26/433621826.db2.gz FUMGFNGZQIDFFJ-CYBMUJFWSA-N 1 2 310.350 3.273 20 5 DGBDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000342344043 433626111 /nfs/dbraw/zinc/62/61/11/433626111.db2.gz SLPJZWOYFXTHAK-QWRGUYRKSA-N 1 2 304.350 3.260 20 5 DGBDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370054937 293152533 /nfs/dbraw/zinc/15/25/33/293152533.db2.gz FVHXONGUIMZEPL-YPMHNXCESA-N 1 2 318.377 3.203 20 5 DGBDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370054937 293152535 /nfs/dbraw/zinc/15/25/35/293152535.db2.gz FVHXONGUIMZEPL-YPMHNXCESA-N 1 2 318.377 3.203 20 5 DGBDLO COCC[N@H+](Cc1cccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000351818760 433734176 /nfs/dbraw/zinc/73/41/76/433734176.db2.gz IEOXIJQUKNTXMZ-UHFFFAOYSA-N 1 2 324.377 3.444 20 5 DGBDLO COCC[N@@H+](Cc1cccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000351818760 433734186 /nfs/dbraw/zinc/73/41/86/433734186.db2.gz IEOXIJQUKNTXMZ-UHFFFAOYSA-N 1 2 324.377 3.444 20 5 DGBDLO CCOc1cc(NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000356869328 433740837 /nfs/dbraw/zinc/74/08/37/433740837.db2.gz UYHFDIGEMDDJIJ-UHFFFAOYSA-N 1 2 312.329 3.253 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(C3CC3)o2)c(Cl)c1 ZINC000449700969 433762415 /nfs/dbraw/zinc/76/24/15/433762415.db2.gz BPHSECRRNSCDNL-UHFFFAOYSA-N 1 2 307.737 3.403 20 5 DGBDLO CC1(C)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000351889257 433770719 /nfs/dbraw/zinc/77/07/19/433770719.db2.gz LFXPNIDFHDBABY-UHFFFAOYSA-N 1 2 302.346 3.200 20 5 DGBDLO CC1(C)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000351889257 433770730 /nfs/dbraw/zinc/77/07/30/433770730.db2.gz LFXPNIDFHDBABY-UHFFFAOYSA-N 1 2 302.346 3.200 20 5 DGBDLO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000377383352 293651602 /nfs/dbraw/zinc/65/16/02/293651602.db2.gz PZHALDBMLOQLLL-RMLUDKJBSA-N 1 2 308.334 3.407 20 5 DGBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)[S@]1=O ZINC000285417445 433942029 /nfs/dbraw/zinc/94/20/29/433942029.db2.gz BRLVCAXHJINBAE-HMVJQOPWSA-N 1 2 324.446 3.196 20 5 DGBDLO CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)[S@]1=O ZINC000285417445 433942039 /nfs/dbraw/zinc/94/20/39/433942039.db2.gz BRLVCAXHJINBAE-HMVJQOPWSA-N 1 2 324.446 3.196 20 5 DGBDLO Cc1ccc(-c2noc(Cc3ccc[nH+]c3C)n2)cc1[N+](=O)[O-] ZINC000345945846 434017927 /nfs/dbraw/zinc/01/79/27/434017927.db2.gz DYFGAXJGBJVBPF-UHFFFAOYSA-N 1 2 310.313 3.247 20 5 DGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000353434023 434128314 /nfs/dbraw/zinc/12/83/14/434128314.db2.gz ILGXMUHADAIZPZ-KRWDZBQOSA-N 1 2 322.368 3.208 20 5 DGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000505605534 294244986 /nfs/dbraw/zinc/24/49/86/294244986.db2.gz DEJCBXIWCXUXJZ-UHFFFAOYSA-N 1 2 321.764 3.163 20 5 DGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])on1 ZINC000505840094 294255812 /nfs/dbraw/zinc/25/58/12/294255812.db2.gz WKVNZAYTIADZCR-AWEZNQCLSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])on1 ZINC000505840094 294255813 /nfs/dbraw/zinc/25/58/13/294255813.db2.gz WKVNZAYTIADZCR-AWEZNQCLSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1cccc2ncc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)n21 ZINC000353613312 434273941 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CC[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1[nH]cc[nH+]1 ZINC000439640724 434634104 /nfs/dbraw/zinc/63/41/04/434634104.db2.gz DRHIELIAOOVMJF-VIFPVBQESA-N 1 2 312.276 3.483 20 5 DGBDLO C[C@@H](CCCc1cccnc1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000459640201 434644051 /nfs/dbraw/zinc/64/40/51/434644051.db2.gz PMAHGHQHBURLDG-ZDUSSCGKSA-N 1 2 315.373 3.196 20 5 DGBDLO CC(C)(C)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000453031261 434780154 /nfs/dbraw/zinc/78/01/54/434780154.db2.gz YHZRDIUAPHCLAY-UHFFFAOYSA-N 1 2 313.317 3.128 20 5 DGBDLO CCC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000534665342 435297453 /nfs/dbraw/zinc/29/74/53/435297453.db2.gz ZMLFRLOUKOLECY-INIZCTEOSA-N 1 2 322.405 3.383 20 5 DGBDLO CCC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000534665342 435297457 /nfs/dbraw/zinc/29/74/57/435297457.db2.gz ZMLFRLOUKOLECY-INIZCTEOSA-N 1 2 322.405 3.383 20 5 DGBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000519721182 435703535 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Cc1cc(C)c(NC(=O)NCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000576083456 316092190 /nfs/dbraw/zinc/09/21/90/316092190.db2.gz AEEZTUJCOQGSKF-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO Cc1cccn2cc(COc3c(F)cccc3[N+](=O)[O-])[nH+]c12 ZINC000576636150 316151136 /nfs/dbraw/zinc/15/11/36/316151136.db2.gz WXPYOXZRNRDLMN-UHFFFAOYSA-N 1 2 301.277 3.269 20 5 DGBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000576858084 316175189 /nfs/dbraw/zinc/17/51/89/316175189.db2.gz HECXIRKWBSBAKY-AWEZNQCLSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000576858084 316175193 /nfs/dbraw/zinc/17/51/93/316175193.db2.gz HECXIRKWBSBAKY-AWEZNQCLSA-N 1 2 312.797 3.495 20 5 DGBDLO Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000184848536 323375827 /nfs/dbraw/zinc/37/58/27/323375827.db2.gz MPBBHOMWDKJOFE-SNVBAGLBSA-N 1 2 317.320 3.488 20 5 DGBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000296745496 533976670 /nfs/dbraw/zinc/97/66/70/533976670.db2.gz PDOFWSJMNBYWCN-UWVGGRQHSA-N 1 2 302.334 3.267 20 5 DGBDLO Cc1cnc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444683837 534620245 /nfs/dbraw/zinc/62/02/45/534620245.db2.gz JMCUQDVMXJEYBC-SECBINFHSA-N 1 2 317.374 3.087 20 5 DGBDLO CCOc1cccc(NCCc2ccc(C)c[nH+]2)c1[N+](=O)[O-] ZINC000413350616 528674576 /nfs/dbraw/zinc/67/45/76/528674576.db2.gz KCOHXNMKAQMEIO-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO Cc1nn(C[N@H+](Cc2ccccc2C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000746714078 575471834 /nfs/dbraw/zinc/47/18/34/575471834.db2.gz ZPOMQZRGTJARNP-UHFFFAOYSA-N 1 2 314.389 3.339 20 5 DGBDLO Cc1nn(C[N@@H+](Cc2ccccc2C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000746714078 575471837 /nfs/dbraw/zinc/47/18/37/575471837.db2.gz ZPOMQZRGTJARNP-UHFFFAOYSA-N 1 2 314.389 3.339 20 5 DGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1C2CCC1CC2 ZINC000748815210 575608576 /nfs/dbraw/zinc/60/85/76/575608576.db2.gz LWVVRLANNPUSFL-WHXUTIOJSA-N 1 2 323.780 3.202 20 5 DGBDLO Cc1ccccc1CC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000751126219 575771302 /nfs/dbraw/zinc/77/13/02/575771302.db2.gz IHQPRAVOCPXTFN-UHFFFAOYSA-N 1 2 317.320 3.283 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000751481794 575786685 /nfs/dbraw/zinc/78/66/85/575786685.db2.gz JWOIQHGCKLOVCN-MRXNPFEDSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000751481794 575786686 /nfs/dbraw/zinc/78/66/86/575786686.db2.gz JWOIQHGCKLOVCN-MRXNPFEDSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000728567212 576188352 /nfs/dbraw/zinc/18/83/52/576188352.db2.gz NZVUTLWNLVZZPM-LBPRGKRZSA-N 1 2 306.753 3.286 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000895354139 618601139 /nfs/dbraw/zinc/60/11/39/618601139.db2.gz CCCLFEBAOIKUSC-UHFFFAOYSA-N 1 2 304.375 3.132 20 5 DGBDLO Cc1n[nH]c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000893945603 618681145 /nfs/dbraw/zinc/68/11/45/618681145.db2.gz ANTYNJYNWGYDCC-UHFFFAOYSA-N 1 2 300.362 3.099 20 5 DGBDLO Cc1n[nH]c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000893945603 618681154 /nfs/dbraw/zinc/68/11/54/618681154.db2.gz ANTYNJYNWGYDCC-UHFFFAOYSA-N 1 2 300.362 3.099 20 5 DGBDLO CC[C@@H]([NH2+][C@@H](C)c1nn(CC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000925231065 619087033 /nfs/dbraw/zinc/08/70/33/619087033.db2.gz RITMDYVVOQKCHQ-XHDPSFHLSA-N 1 2 317.393 3.317 20 5 DGBDLO COc1cc(CNc2ccc(C3CC3)c[nH+]2)cc([N+](=O)[O-])c1O ZINC000897711998 619175726 /nfs/dbraw/zinc/17/57/26/619175726.db2.gz KGVSFSDCNLSONN-UHFFFAOYSA-N 1 2 315.329 3.194 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2cc(N(C)C)ccn2)cc1[N+](=O)[O-] ZINC000903203982 619736263 /nfs/dbraw/zinc/73/62/63/619736263.db2.gz ZNYXLSXYPIYNJO-ZDUSSCGKSA-N 1 2 314.389 3.215 20 5 DGBDLO Cc1c([C@H](C)[NH2+][C@H](c2ncccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000903332238 619762740 /nfs/dbraw/zinc/76/27/40/619762740.db2.gz MBRAAFFWSWJWHK-LRDDRELGSA-N 1 2 312.373 3.495 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc3c(n2)CCC3)c1 ZINC000838979843 621309926 /nfs/dbraw/zinc/30/99/26/621309926.db2.gz FULOXGMJCZUFJO-UHFFFAOYSA-N 1 2 317.776 3.422 20 5 DGBDLO C/C(=C\c1ccccc1)C[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000754854128 621537355 /nfs/dbraw/zinc/53/73/55/621537355.db2.gz AXQZBFAPQKOEKV-JLHYYAGUSA-N 1 2 314.389 3.401 20 5 DGBDLO C/C(=C\c1ccccc1)C[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000754854128 621537356 /nfs/dbraw/zinc/53/73/56/621537356.db2.gz AXQZBFAPQKOEKV-JLHYYAGUSA-N 1 2 314.389 3.401 20 5 DGBDLO CC[C@@H]1CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000755914417 621602909 /nfs/dbraw/zinc/60/29/09/621602909.db2.gz SOGJCLPJNPIMLX-CQSZACIVSA-N 1 2 319.405 3.021 20 5 DGBDLO CC[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000755914417 621602911 /nfs/dbraw/zinc/60/29/11/621602911.db2.gz SOGJCLPJNPIMLX-CQSZACIVSA-N 1 2 319.405 3.021 20 5 DGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000764242887 622185508 /nfs/dbraw/zinc/18/55/08/622185508.db2.gz IOPWLZKNWKLPAF-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO Cc1c(C[NH2+]Cc2nnc(C(C)(C)C)s2)cccc1[N+](=O)[O-] ZINC000873076660 623031787 /nfs/dbraw/zinc/03/17/87/623031787.db2.gz VLBMZLNEDVWHHT-UHFFFAOYSA-N 1 2 320.418 3.342 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000873184054 623065050 /nfs/dbraw/zinc/06/50/50/623065050.db2.gz ZLTKGKMZGIGMDH-SNVBAGLBSA-N 1 2 303.387 3.391 20 5 DGBDLO CC[N@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774869947 623202182 /nfs/dbraw/zinc/20/21/82/623202182.db2.gz PFHNTQWLRSJMIL-UHFFFAOYSA-N 1 2 321.255 3.277 20 5 DGBDLO CC[N@@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774869947 623202186 /nfs/dbraw/zinc/20/21/86/623202186.db2.gz PFHNTQWLRSJMIL-UHFFFAOYSA-N 1 2 321.255 3.277 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000776315457 623411612 /nfs/dbraw/zinc/41/16/12/623411612.db2.gz ATVOWXARXHVLMC-UHFFFAOYSA-N 1 2 303.387 3.220 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(Cl)nn2)C2CC2)c1 ZINC000876581192 623650327 /nfs/dbraw/zinc/65/03/27/623650327.db2.gz CFZONDKOUHHOIH-UHFFFAOYSA-N 1 2 318.764 3.203 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(Cl)nn2)C2CC2)c1 ZINC000876581192 623650330 /nfs/dbraw/zinc/65/03/30/623650330.db2.gz CFZONDKOUHHOIH-UHFFFAOYSA-N 1 2 318.764 3.203 20 5 DGBDLO C[C@H]1CC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000779256382 623748148 /nfs/dbraw/zinc/74/81/48/623748148.db2.gz FGRGAJDOPGYXPS-WCQYABFASA-N 1 2 315.329 3.126 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000779890626 623826987 /nfs/dbraw/zinc/82/69/87/623826987.db2.gz XQEFZYAJOAFVFO-YDZSZYSISA-N 1 2 312.373 3.235 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000779890626 623826993 /nfs/dbraw/zinc/82/69/93/623826993.db2.gz XQEFZYAJOAFVFO-YDZSZYSISA-N 1 2 312.373 3.235 20 5 DGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1scnc1Cl ZINC000878598336 624318423 /nfs/dbraw/zinc/31/84/23/624318423.db2.gz CSKDUSYQLYHLME-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1scnc1Cl ZINC000878598336 624318428 /nfs/dbraw/zinc/31/84/28/624318428.db2.gz CSKDUSYQLYHLME-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000805748004 624373633 /nfs/dbraw/zinc/37/36/33/624373633.db2.gz KTXSFFPOSJUPSK-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000805748004 624373634 /nfs/dbraw/zinc/37/36/34/624373634.db2.gz KTXSFFPOSJUPSK-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO C/C(=C\C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000783988363 624416990 /nfs/dbraw/zinc/41/69/90/624416990.db2.gz NDJCWZJINAXGLP-ZRDIBKRKSA-N 1 2 322.324 3.285 20 5 DGBDLO CCn1nc(C)c(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000879118102 624431194 /nfs/dbraw/zinc/43/11/94/624431194.db2.gz ALANFSKPPMYONG-UHFFFAOYSA-N 1 2 320.368 3.199 20 5 DGBDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000879118102 624431196 /nfs/dbraw/zinc/43/11/96/624431196.db2.gz ALANFSKPPMYONG-UHFFFAOYSA-N 1 2 320.368 3.199 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(F)(F)CC3)co2)cc1 ZINC000796539742 626060287 /nfs/dbraw/zinc/06/02/87/626060287.db2.gz NWJNPVNGZKYGKO-UHFFFAOYSA-N 1 2 323.299 3.481 20 5 DGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000798140603 626196828 /nfs/dbraw/zinc/19/68/28/626196828.db2.gz WRVUXXGXCMXALA-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO C[C@]1(F)CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000840101555 626760661 /nfs/dbraw/zinc/76/06/61/626760661.db2.gz TWJBXRRXVHDGPB-INIZCTEOSA-N 1 2 318.352 3.240 20 5 DGBDLO C[C@]1(F)CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000840101555 626760663 /nfs/dbraw/zinc/76/06/63/626760663.db2.gz TWJBXRRXVHDGPB-INIZCTEOSA-N 1 2 318.352 3.240 20 5 DGBDLO Cc1nn(C[N@@H+](C)Cc2ccc(C)c(C)c2)c(C)c1[N+](=O)[O-] ZINC000840149576 626870522 /nfs/dbraw/zinc/87/05/22/626870522.db2.gz FOBXTORYGGCMPM-UHFFFAOYSA-N 1 2 302.378 3.114 20 5 DGBDLO Cc1nn(C[N@H+](C)Cc2ccc(C)c(C)c2)c(C)c1[N+](=O)[O-] ZINC000840149576 626870524 /nfs/dbraw/zinc/87/05/24/626870524.db2.gz FOBXTORYGGCMPM-UHFFFAOYSA-N 1 2 302.378 3.114 20 5 DGBDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1CO ZINC000809986086 626965752 /nfs/dbraw/zinc/96/57/52/626965752.db2.gz YIMVXFOKWCWLRT-PRHODGIISA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1CO ZINC000809986086 626965754 /nfs/dbraw/zinc/96/57/54/626965754.db2.gz YIMVXFOKWCWLRT-PRHODGIISA-N 1 2 319.188 3.104 20 5 DGBDLO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885931426 627062772 /nfs/dbraw/zinc/06/27/72/627062772.db2.gz UPINAUPRAUBHRH-UHFFFAOYSA-N 1 2 323.299 3.223 20 5 DGBDLO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885931426 627062773 /nfs/dbraw/zinc/06/27/73/627062773.db2.gz UPINAUPRAUBHRH-UHFFFAOYSA-N 1 2 323.299 3.223 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000885935695 627064208 /nfs/dbraw/zinc/06/42/08/627064208.db2.gz PLEYTTDSOQSZQY-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000885935695 627064210 /nfs/dbraw/zinc/06/42/10/627064210.db2.gz PLEYTTDSOQSZQY-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cccnc2[N+](=O)[O-])s1 ZINC000886001626 627079633 /nfs/dbraw/zinc/07/96/33/627079633.db2.gz FBGMCASPCYEKHG-JTQLQIEISA-N 1 2 306.391 3.256 20 5 DGBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccnc2[N+](=O)[O-])s1 ZINC000886001626 627079635 /nfs/dbraw/zinc/07/96/35/627079635.db2.gz FBGMCASPCYEKHG-JTQLQIEISA-N 1 2 306.391 3.256 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCc3cccnc32)c1 ZINC000886551124 627161187 /nfs/dbraw/zinc/16/11/87/627161187.db2.gz BMUBQVKNKOOUOZ-AWEZNQCLSA-N 1 2 303.749 3.420 20 5 DGBDLO CCc1nc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000815578112 627686214 /nfs/dbraw/zinc/68/62/14/627686214.db2.gz HRTBDYSZTSUQIP-SECBINFHSA-N 1 2 306.391 3.047 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000925497839 627742545 /nfs/dbraw/zinc/74/25/45/627742545.db2.gz ZGPKQGTVDHPSDZ-QWHCGFSZSA-N 1 2 317.393 3.487 20 5 DGBDLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819409733 628149247 /nfs/dbraw/zinc/14/92/47/628149247.db2.gz URKIQUDWRGBYBB-QGZVFWFLSA-N 1 2 315.373 3.115 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1NCCNc1cccc[nH+]1 ZINC000820609576 628278323 /nfs/dbraw/zinc/27/83/23/628278323.db2.gz ICRWKYFXZGNITP-UHFFFAOYSA-N 1 2 310.716 3.306 20 5 DGBDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000845285019 631160625 /nfs/dbraw/zinc/16/06/25/631160625.db2.gz POVFABNNJFMJCI-NWDGAFQWSA-N 1 2 303.318 3.047 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284795 631160819 /nfs/dbraw/zinc/16/08/19/631160819.db2.gz NTVRKRZQKBCTQR-STQMWFEESA-N 1 2 317.345 3.355 20 5 DGBDLO Cc1nn(C[N@@H+](C)Cc2cccc(C)c2C)c(C)c1[N+](=O)[O-] ZINC000793541386 661043779 /nfs/dbraw/zinc/04/37/79/661043779.db2.gz CTJRHFOALFNFKJ-UHFFFAOYSA-N 1 2 302.378 3.114 20 5 DGBDLO Cc1nn(C[N@H+](C)Cc2cccc(C)c2C)c(C)c1[N+](=O)[O-] ZINC000793541386 661043781 /nfs/dbraw/zinc/04/37/81/661043781.db2.gz CTJRHFOALFNFKJ-UHFFFAOYSA-N 1 2 302.378 3.114 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)ccn12 ZINC001584300369 1192188530 /nfs/dbraw/zinc/18/85/30/1192188530.db2.gz WPGXIZVAQKYOME-LBPRGKRZSA-N 1 2 324.340 3.042 20 5 DGBDLO C[C@@]1(Br)C[C@@H]1C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335421459 1178908224 /nfs/dbraw/zinc/90/82/24/1178908224.db2.gz NAHZWOQOJKYNNM-DGCLKSJQSA-N 1 2 311.179 3.084 20 5 DGBDLO C[C@@]1(Br)C[C@@H]1C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335421459 1178908227 /nfs/dbraw/zinc/90/82/27/1178908227.db2.gz NAHZWOQOJKYNNM-DGCLKSJQSA-N 1 2 311.179 3.084 20 5 DGBDLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430202 1181524702 /nfs/dbraw/zinc/52/47/02/1181524702.db2.gz XBEBNYOLHUQQJA-DTWKUNHWSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473430202 1181524707 /nfs/dbraw/zinc/52/47/07/1181524707.db2.gz XBEBNYOLHUQQJA-DTWKUNHWSA-N 1 2 319.188 3.104 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2[nH+]ccn21 ZINC001360441563 1181622035 /nfs/dbraw/zinc/62/20/35/1181622035.db2.gz QNFFZVNDJPXPKD-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO Cc1cccc2[nH+]c(CCNc3ccsc3[N+](=O)[O-])cn21 ZINC001458471430 1182528234 /nfs/dbraw/zinc/52/82/34/1182528234.db2.gz WHHXYWWMXDQRES-UHFFFAOYSA-N 1 2 302.359 3.267 20 5 DGBDLO CC(C)C[N@H+](CC[N+](=O)[O-])Cc1ccccc1Br ZINC001459653288 1182602076 /nfs/dbraw/zinc/60/20/76/1182602076.db2.gz MTQPDNXZARAMCQ-UHFFFAOYSA-N 1 2 315.211 3.184 20 5 DGBDLO CC(C)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1Br ZINC001459653288 1182602080 /nfs/dbraw/zinc/60/20/80/1182602080.db2.gz MTQPDNXZARAMCQ-UHFFFAOYSA-N 1 2 315.211 3.184 20 5 DGBDLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001473486873 1183762583 /nfs/dbraw/zinc/76/25/83/1183762583.db2.gz SSWJXWPXESDNIE-UKRRQHHQSA-N 1 2 320.389 3.116 20 5 DGBDLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001473486873 1183762588 /nfs/dbraw/zinc/76/25/88/1183762588.db2.gz SSWJXWPXESDNIE-UKRRQHHQSA-N 1 2 320.389 3.116 20 5 DGBDLO CC(C)(C)c1cn(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC001614787848 1193506792 /nfs/dbraw/zinc/50/67/92/1193506792.db2.gz XUUORJOBVFBNCL-UHFFFAOYSA-N 1 2 304.306 3.045 20 5 DGBDLO CCCC[N@H+](C)c1ccc(Nc2ccncc2[N+](=O)[O-])cc1 ZINC001559099058 1189170658 /nfs/dbraw/zinc/17/06/58/1189170658.db2.gz DZBHZJOPDQLODV-UHFFFAOYSA-N 1 2 300.362 3.392 20 5 DGBDLO CCCC[N@@H+](C)c1ccc(Nc2ccncc2[N+](=O)[O-])cc1 ZINC001559099058 1189170662 /nfs/dbraw/zinc/17/06/62/1189170662.db2.gz DZBHZJOPDQLODV-UHFFFAOYSA-N 1 2 300.362 3.392 20 5 DGBDLO CCNc1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])cc[nH+]1 ZINC001559251626 1189187111 /nfs/dbraw/zinc/18/71/11/1189187111.db2.gz ACFUJSCZXBRLBF-UHFFFAOYSA-N 1 2 323.356 3.004 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc(C)c(C)s1 ZINC001560354612 1189317371 /nfs/dbraw/zinc/31/73/71/1189317371.db2.gz WKDMPMNEMLKOGP-UHFFFAOYSA-N 1 2 321.402 3.357 20 5 DGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(O)c(F)c1F ZINC001560825630 1189388978 /nfs/dbraw/zinc/38/89/78/1189388978.db2.gz RYRWZKUZGMHCRH-UHFFFAOYSA-N 1 2 322.311 3.253 20 5 DGBDLO C[N@H+](Cc1cnc2ccccc2n1)Cc1ccccc1[N+](=O)[O-] ZINC001621141932 1193808190 /nfs/dbraw/zinc/80/81/90/1193808190.db2.gz UYTRKVQMUXRGEZ-UHFFFAOYSA-N 1 2 308.341 3.170 20 5 DGBDLO C[N@@H+](Cc1cnc2ccccc2n1)Cc1ccccc1[N+](=O)[O-] ZINC001621141932 1193808193 /nfs/dbraw/zinc/80/81/93/1193808193.db2.gz UYTRKVQMUXRGEZ-UHFFFAOYSA-N 1 2 308.341 3.170 20 5 DGBDLO O=[N+]([O-])c1ccc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC001640327217 1194806616 /nfs/dbraw/zinc/80/66/16/1194806616.db2.gz ZOZTXGGAYGBJDB-HNNXBMFYSA-N 1 2 309.329 3.040 20 5 DGBDLO CNc1cc(CNc2nc3ccc([N+](=O)[O-])cc3s2)cc[nH+]1 ZINC001640437849 1194813637 /nfs/dbraw/zinc/81/36/37/1194813637.db2.gz ATJGKTCDVMUXRU-UHFFFAOYSA-N 1 2 315.358 3.253 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC001642866522 1194949248 /nfs/dbraw/zinc/94/92/48/1194949248.db2.gz XXBONKOHGRQDPK-LLVKDONJSA-N 1 2 301.749 3.094 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001642866522 1194949250 /nfs/dbraw/zinc/94/92/50/1194949250.db2.gz XXBONKOHGRQDPK-LLVKDONJSA-N 1 2 301.749 3.094 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001644987265 1195148013 /nfs/dbraw/zinc/14/80/13/1195148013.db2.gz YYEVSLCTUWQDLI-MNOVXSKESA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001644987265 1195148015 /nfs/dbraw/zinc/14/80/15/1195148015.db2.gz YYEVSLCTUWQDLI-MNOVXSKESA-N 1 2 302.708 3.335 20 5 DGBDLO CC(=O)c1ccc(NCc2[nH]c3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC001651450887 1195464082 /nfs/dbraw/zinc/46/40/82/1195464082.db2.gz HLAQZBIBHLRJTP-UHFFFAOYSA-N 1 2 314.345 3.011 20 5 DGBDLO CC(C)c1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC001652740815 1195645109 /nfs/dbraw/zinc/64/51/09/1195645109.db2.gz PKFONGRGEFIAJP-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO CC(C)c1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC001652740815 1195645115 /nfs/dbraw/zinc/64/51/15/1195645115.db2.gz PKFONGRGEFIAJP-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccns1 ZINC001655247714 1195895105 /nfs/dbraw/zinc/89/51/05/1195895105.db2.gz QWWMBSNHEBOENJ-QMMMGPOBSA-N 1 2 304.331 3.043 20 5 DGBDLO COC1(c2ccccc2)C[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001658028151 1196204230 /nfs/dbraw/zinc/20/42/30/1196204230.db2.gz PXXCYTHIXYADQT-UHFFFAOYSA-N 1 2 312.369 3.261 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(Oc2ccccc2)C1 ZINC001665957006 1197220851 /nfs/dbraw/zinc/22/08/51/1197220851.db2.gz ONTGJGRKGFVNCJ-UHFFFAOYSA-N 1 2 312.369 3.475 20 5 DGBDLO Cc1c[nH+]cc(C)c1NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001133686196 1083175471 /nfs/dbraw/zinc/17/54/71/1083175471.db2.gz WWQVNTOHJNATKS-UHFFFAOYSA-N 1 2 319.748 3.243 20 5 DGBDLO Cc1cc(Cl)c([N+](=O)[O-])c(NCc2c[nH+]cn2C(C)C)n1 ZINC001161563152 1089287457 /nfs/dbraw/zinc/28/74/57/1089287457.db2.gz PUBKZYZHLNSVJV-UHFFFAOYSA-N 1 2 309.757 3.341 20 5 DGBDLO CCc1cc(NCc2ccc(OC)c([N+](=O)[O-])c2)nc(CC)[nH+]1 ZINC001162221572 1089614963 /nfs/dbraw/zinc/61/49/63/1089614963.db2.gz PGBNQRFVEYIQME-UHFFFAOYSA-N 1 2 316.361 3.130 20 5 DGBDLO O=[N+]([O-])c1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1O ZINC001210392659 1093151707 /nfs/dbraw/zinc/15/17/07/1093151707.db2.gz GNXCTZSMRXPTAB-UHFFFAOYSA-N 1 2 300.318 3.039 20 5 DGBDLO FC1(F)C[NH2+]CC[C@H]1Oc1ccnc2c1ccc1cccnc12 ZINC001218011438 1094557775 /nfs/dbraw/zinc/55/77/75/1094557775.db2.gz HPLAEMRQMCEVBS-CQSZACIVSA-N 1 2 315.323 3.159 20 5 DGBDLO FC1(F)C[NH2+]C[C@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218230593 1094667646 /nfs/dbraw/zinc/66/76/46/1094667646.db2.gz BFCGQACGNONPFK-OAHLLOKOSA-N 1 2 300.308 3.374 20 5 DGBDLO Cc1noc2ncc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])cc12 ZINC001338216302 1095224410 /nfs/dbraw/zinc/22/44/10/1095224410.db2.gz OYSGRSNNKJCVLM-UHFFFAOYSA-N 1 2 312.329 3.071 20 5 DGBDLO Cc1noc2ncc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])cc12 ZINC001338216302 1095224418 /nfs/dbraw/zinc/22/44/18/1095224418.db2.gz OYSGRSNNKJCVLM-UHFFFAOYSA-N 1 2 312.329 3.071 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1COC1C[NH+](Cc2ccccc2)C1 ZINC001223534931 1095994325 /nfs/dbraw/zinc/99/43/25/1095994325.db2.gz AUSMPLPROSTNQV-UHFFFAOYSA-N 1 2 312.369 3.304 20 5 DGBDLO Cc1c([C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cnn1C ZINC001119002109 1096121388 /nfs/dbraw/zinc/12/13/88/1096121388.db2.gz FERWLFWGEILYOJ-VHSXEESVSA-N 1 2 306.341 3.188 20 5 DGBDLO CC(C)(C)[NH+]1CC(Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228208585 1097073788 /nfs/dbraw/zinc/07/37/88/1097073788.db2.gz CBZFZGBZKKDJEL-UHFFFAOYSA-N 1 2 307.375 3.066 20 5 DGBDLO C[NH+]1CC(Oc2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001229948624 1097416201 /nfs/dbraw/zinc/41/62/01/1097416201.db2.gz PRINYNIWLMYPGP-NSCUHMNNSA-N 1 2 310.353 3.458 20 5 DGBDLO COc1ccc2[nH+]ccc(Nc3ccc(C=C[N+](=O)[O-])cc3)c2n1 ZINC001175900559 1098201347 /nfs/dbraw/zinc/20/13/47/1098201347.db2.gz AQUGNPHLCFCIKY-PKNBQFBNSA-N 1 2 322.324 3.051 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC(F)CC2)c1Br ZINC000689491476 1105454469 /nfs/dbraw/zinc/45/44/69/1105454469.db2.gz SRSZJMBFTFIJJK-UHFFFAOYSA-N 1 2 317.158 3.291 20 5 DGBDLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535096 1106098201 /nfs/dbraw/zinc/09/82/01/1106098201.db2.gz GOOUTJHKPMFFIC-DZGCQCFKSA-N 1 2 322.405 3.093 20 5 DGBDLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535098 1106098266 /nfs/dbraw/zinc/09/82/66/1106098266.db2.gz GOOUTJHKPMFFIC-UKRRQHHQSA-N 1 2 322.405 3.093 20 5 DGBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001254552318 1106102570 /nfs/dbraw/zinc/10/25/70/1106102570.db2.gz KUXBYURYYZIJOR-GXFFZTMASA-N 1 2 302.296 3.205 20 5 DGBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001254552318 1106102573 /nfs/dbraw/zinc/10/25/73/1106102573.db2.gz KUXBYURYYZIJOR-GXFFZTMASA-N 1 2 302.296 3.205 20 5 DGBDLO Cc1nn(C[N@H+](C)CCC(F)(F)F)c2cc([N+](=O)[O-])ccc12 ZINC001319787495 1108634195 /nfs/dbraw/zinc/63/41/95/1108634195.db2.gz MYHYOEBRVRWDGU-UHFFFAOYSA-N 1 2 316.283 3.095 20 5 DGBDLO Cc1nn(C[N@@H+](C)CCC(F)(F)F)c2cc([N+](=O)[O-])ccc12 ZINC001319787495 1108634200 /nfs/dbraw/zinc/63/42/00/1108634200.db2.gz MYHYOEBRVRWDGU-UHFFFAOYSA-N 1 2 316.283 3.095 20 5 DGBDLO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC001307836695 1111345053 /nfs/dbraw/zinc/34/50/53/1111345053.db2.gz GLSYLDGVECCLMA-LSDHHAIUSA-N 1 2 322.405 3.372 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066849340 432022922 /nfs/dbraw/zinc/02/29/22/432022922.db2.gz QXONRDTWZZVVNH-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066849340 432022924 /nfs/dbraw/zinc/02/29/24/432022924.db2.gz QXONRDTWZZVVNH-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000173503718 198221788 /nfs/dbraw/zinc/22/17/88/198221788.db2.gz NZUFMWLQMFALIV-HNNXBMFYSA-N 1 2 321.402 3.475 20 5 DGBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000080277926 192019804 /nfs/dbraw/zinc/01/98/04/192019804.db2.gz GBIDAWATSFDOLC-LBPRGKRZSA-N 1 2 307.375 3.301 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnn2ccccc12)C1CC1 ZINC000179318706 432053783 /nfs/dbraw/zinc/05/37/83/432053783.db2.gz SSSPXXMSKBORIM-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnn2ccccc12)C1CC1 ZINC000179318706 432053786 /nfs/dbraw/zinc/05/37/86/432053786.db2.gz SSSPXXMSKBORIM-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO Cc1cccn2c(CN(C)Cc3ccccc3[N+](=O)[O-])c[nH+]c12 ZINC000179316087 432054036 /nfs/dbraw/zinc/05/40/36/432054036.db2.gz JNNCPJCPXHUBIL-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cc1cccn2c(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])cnc12 ZINC000179316087 432054037 /nfs/dbraw/zinc/05/40/37/432054037.db2.gz JNNCPJCPXHUBIL-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cc1cccn2c(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])cnc12 ZINC000179316087 432054039 /nfs/dbraw/zinc/05/40/39/432054039.db2.gz JNNCPJCPXHUBIL-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO C[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1[N+](=O)[O-] ZINC000179316779 199014644 /nfs/dbraw/zinc/01/46/44/199014644.db2.gz CUVHRQXJNPDVTR-UHFFFAOYSA-N 1 2 302.378 3.178 20 5 DGBDLO C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1[N+](=O)[O-] ZINC000179316779 199014645 /nfs/dbraw/zinc/01/46/45/199014645.db2.gz CUVHRQXJNPDVTR-UHFFFAOYSA-N 1 2 302.378 3.178 20 5 DGBDLO COc1c(C)c[nH+]c(COc2c(F)cccc2[N+](=O)[O-])c1C ZINC000185016379 199796017 /nfs/dbraw/zinc/79/60/17/199796017.db2.gz ZWMRIYLAWLHEMN-UHFFFAOYSA-N 1 2 306.293 3.333 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000430206501 238070754 /nfs/dbraw/zinc/07/07/54/238070754.db2.gz WIWSUVMXNQDHHG-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000430206501 238070755 /nfs/dbraw/zinc/07/07/55/238070755.db2.gz WIWSUVMXNQDHHG-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000430206773 238071045 /nfs/dbraw/zinc/07/10/45/238071045.db2.gz PJQRUOQSKJZUDZ-UHFFFAOYSA-N 1 2 316.279 3.298 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000430206773 238071047 /nfs/dbraw/zinc/07/10/47/238071047.db2.gz PJQRUOQSKJZUDZ-UHFFFAOYSA-N 1 2 316.279 3.298 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000430218006 238071566 /nfs/dbraw/zinc/07/15/66/238071566.db2.gz KVBBVDBXQCBYQV-UHFFFAOYSA-N 1 2 323.780 3.227 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000430218006 238071567 /nfs/dbraw/zinc/07/15/67/238071567.db2.gz KVBBVDBXQCBYQV-UHFFFAOYSA-N 1 2 323.780 3.227 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000441164202 239016153 /nfs/dbraw/zinc/01/61/53/239016153.db2.gz GTQMOGBLQAWPRW-LRDDRELGSA-N 1 2 302.330 3.322 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000441164202 239016155 /nfs/dbraw/zinc/01/61/55/239016155.db2.gz GTQMOGBLQAWPRW-LRDDRELGSA-N 1 2 302.330 3.322 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCc4ccsc4C3)nc2c1 ZINC000444659910 239315866 /nfs/dbraw/zinc/31/58/66/239315866.db2.gz FLUZCNODDUYLEM-UHFFFAOYSA-N 1 2 314.370 3.091 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCc4ccsc4C3)nc2c1 ZINC000444659910 239315870 /nfs/dbraw/zinc/31/58/70/239315870.db2.gz FLUZCNODDUYLEM-UHFFFAOYSA-N 1 2 314.370 3.091 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+](C3CC3)C3COC3)o2)c1 ZINC000449349334 240150498 /nfs/dbraw/zinc/15/04/98/240150498.db2.gz FKDHNMAHUZYJBJ-UHFFFAOYSA-N 1 2 314.341 3.218 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](C3CC3)C3COC3)o2)c1 ZINC000449349334 240150507 /nfs/dbraw/zinc/15/05/07/240150507.db2.gz FKDHNMAHUZYJBJ-UHFFFAOYSA-N 1 2 314.341 3.218 20 5 DGBDLO CC(C)OC(=O)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000449507148 240255956 /nfs/dbraw/zinc/25/59/56/240255956.db2.gz LRWLPXNXVUGWPL-DYLHUKMJSA-N 1 2 320.389 3.174 20 5 DGBDLO COC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000181686234 432142534 /nfs/dbraw/zinc/14/25/34/432142534.db2.gz INLFWFYTIWTLFK-HNNXBMFYSA-N 1 2 304.321 3.211 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153163500 284659833 /nfs/dbraw/zinc/65/98/33/284659833.db2.gz AQSFJHVTTLMHAE-UHFFFAOYSA-N 1 2 308.297 3.099 20 5 DGBDLO CC(C)n1ccnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285173200 218319257 /nfs/dbraw/zinc/31/92/57/218319257.db2.gz BGDCXJUSBCSNIP-UHFFFAOYSA-N 1 2 302.378 3.047 20 5 DGBDLO CC(C)n1ccnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285173200 218319259 /nfs/dbraw/zinc/31/92/59/218319259.db2.gz BGDCXJUSBCSNIP-UHFFFAOYSA-N 1 2 302.378 3.047 20 5 DGBDLO CC[N@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000119720791 195025897 /nfs/dbraw/zinc/02/58/97/195025897.db2.gz ZCGAPVGKJNHDOT-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CC[N@@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000119720791 195025899 /nfs/dbraw/zinc/02/58/99/195025899.db2.gz ZCGAPVGKJNHDOT-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000264810308 285089542 /nfs/dbraw/zinc/08/95/42/285089542.db2.gz DNUMWNDBAOYCAY-UHFFFAOYSA-N 1 2 306.753 3.286 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCc2cn3ccc(C)cc3[nH+]2)c1 ZINC000338650863 253326805 /nfs/dbraw/zinc/32/68/05/253326805.db2.gz AAJUYBSYKLJKAX-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000338658521 253328546 /nfs/dbraw/zinc/32/85/46/253328546.db2.gz XXYGHUSQNJOHOL-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120462036 285160959 /nfs/dbraw/zinc/16/09/59/285160959.db2.gz INANXDCIHHWATI-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120462036 285160960 /nfs/dbraw/zinc/16/09/60/285160960.db2.gz INANXDCIHHWATI-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(C)[nH+]1 ZINC000342929788 254076034 /nfs/dbraw/zinc/07/60/34/254076034.db2.gz ROEPMVDGODLVTR-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO COCC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000413279178 533143416 /nfs/dbraw/zinc/14/34/16/533143416.db2.gz GEXUGPXDOSASKM-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DGBDLO CN(Cc1[nH+]ccn1C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000120786307 195237396 /nfs/dbraw/zinc/23/73/96/195237396.db2.gz RHZMTNBLSRQPBF-UHFFFAOYSA-N 1 2 315.160 3.272 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000120850813 195250280 /nfs/dbraw/zinc/25/02/80/195250280.db2.gz PJUHPXWEIZHIQT-UHFFFAOYSA-N 1 2 317.736 3.211 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000007846847 400111159 /nfs/dbraw/zinc/11/11/59/400111159.db2.gz MHINJRJYJMNWNQ-UHFFFAOYSA-N 1 2 319.386 3.035 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000007846847 400111162 /nfs/dbraw/zinc/11/11/62/400111162.db2.gz MHINJRJYJMNWNQ-UHFFFAOYSA-N 1 2 319.386 3.035 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOCC12CCCCC2 ZINC000595520898 400176395 /nfs/dbraw/zinc/17/63/95/400176395.db2.gz PDQXFXXGHKPUHC-UHFFFAOYSA-N 1 2 308.353 3.269 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOCC12CCCCC2 ZINC000595520898 400176399 /nfs/dbraw/zinc/17/63/99/400176399.db2.gz PDQXFXXGHKPUHC-UHFFFAOYSA-N 1 2 308.353 3.269 20 5 DGBDLO Cc1cccn2cc(CCNc3c(F)cccc3[N+](=O)[O-])[nH+]c12 ZINC000587990020 400177443 /nfs/dbraw/zinc/17/74/43/400177443.db2.gz QSONVIHZVMRTCD-UHFFFAOYSA-N 1 2 314.320 3.345 20 5 DGBDLO Cc1noc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595550310 400184893 /nfs/dbraw/zinc/18/48/93/400184893.db2.gz GXFDMFLOXOKDHR-VIFPVBQESA-N 1 2 307.272 3.056 20 5 DGBDLO Cc1noc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595550310 400184899 /nfs/dbraw/zinc/18/48/99/400184899.db2.gz GXFDMFLOXOKDHR-VIFPVBQESA-N 1 2 307.272 3.056 20 5 DGBDLO COCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000595297807 400122379 /nfs/dbraw/zinc/12/23/79/400122379.db2.gz YRTPGNKYXVWMFT-CYBMUJFWSA-N 1 2 319.361 3.101 20 5 DGBDLO COCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000595297807 400122383 /nfs/dbraw/zinc/12/23/83/400122383.db2.gz YRTPGNKYXVWMFT-CYBMUJFWSA-N 1 2 319.361 3.101 20 5 DGBDLO Cc1noc(C[N@H+](CCC(F)(F)F)CC2CC2)c1[N+](=O)[O-] ZINC000595337932 400130114 /nfs/dbraw/zinc/13/01/14/400130114.db2.gz DKSZIGLBEYTIRH-UHFFFAOYSA-N 1 2 307.272 3.056 20 5 DGBDLO Cc1noc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1[N+](=O)[O-] ZINC000595337932 400130119 /nfs/dbraw/zinc/13/01/19/400130119.db2.gz DKSZIGLBEYTIRH-UHFFFAOYSA-N 1 2 307.272 3.056 20 5 DGBDLO Cc1noc(C[N@H+](C)Cc2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000595336499 400131217 /nfs/dbraw/zinc/13/12/17/400131217.db2.gz HAVACQPGRHWJME-UHFFFAOYSA-N 1 2 301.302 3.269 20 5 DGBDLO Cc1noc(C[N@@H+](C)Cc2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000595336499 400131220 /nfs/dbraw/zinc/13/12/20/400131220.db2.gz HAVACQPGRHWJME-UHFFFAOYSA-N 1 2 301.302 3.269 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000595397954 400141687 /nfs/dbraw/zinc/14/16/87/400141687.db2.gz NIZJQNDVYCGEMU-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000595397954 400141689 /nfs/dbraw/zinc/14/16/89/400141689.db2.gz NIZJQNDVYCGEMU-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c2ccncc21 ZINC000609132786 400142722 /nfs/dbraw/zinc/14/27/22/400142722.db2.gz JQJSJEFOIMEHGU-ZDUSSCGKSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1cc(N[C@H]2CCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000609193693 400149394 /nfs/dbraw/zinc/14/93/94/400149394.db2.gz XHTZSCZTCRATPD-ABAIWWIYSA-N 1 2 312.373 3.383 20 5 DGBDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000015571277 400167364 /nfs/dbraw/zinc/16/73/64/400167364.db2.gz XAVWBGDSMMUQAC-UHFFFAOYSA-N 1 2 322.368 3.413 20 5 DGBDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000015571277 400167369 /nfs/dbraw/zinc/16/73/69/400167369.db2.gz XAVWBGDSMMUQAC-UHFFFAOYSA-N 1 2 322.368 3.413 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000595491418 400167704 /nfs/dbraw/zinc/16/77/04/400167704.db2.gz WGGZCHOQLQABKY-LSDHHAIUSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000595491418 400167706 /nfs/dbraw/zinc/16/77/06/400167706.db2.gz WGGZCHOQLQABKY-LSDHHAIUSA-N 1 2 308.353 3.123 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000015548901 400167705 /nfs/dbraw/zinc/16/77/05/400167705.db2.gz JEYLSTOYIWRNHD-ZDUSSCGKSA-N 1 2 313.357 3.226 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000015548901 400167708 /nfs/dbraw/zinc/16/77/08/400167708.db2.gz JEYLSTOYIWRNHD-ZDUSSCGKSA-N 1 2 313.357 3.226 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000595491415 400167885 /nfs/dbraw/zinc/16/78/85/400167885.db2.gz WGGZCHOQLQABKY-GJZGRUSLSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000595491415 400167889 /nfs/dbraw/zinc/16/78/89/400167889.db2.gz WGGZCHOQLQABKY-GJZGRUSLSA-N 1 2 308.353 3.123 20 5 DGBDLO COC(=O)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595658230 400221150 /nfs/dbraw/zinc/22/11/50/400221150.db2.gz CZRXXYNHHPSRPA-UHFFFAOYSA-N 1 2 324.352 3.042 20 5 DGBDLO COC(=O)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595658230 400221151 /nfs/dbraw/zinc/22/11/51/400221151.db2.gz CZRXXYNHHPSRPA-UHFFFAOYSA-N 1 2 324.352 3.042 20 5 DGBDLO CC(=O)c1ccc(NCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000092826058 400207344 /nfs/dbraw/zinc/20/73/44/400207344.db2.gz JGBUAPYAPRFIOI-UHFFFAOYSA-N 1 2 324.340 3.366 20 5 DGBDLO CSC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601206845 400263231 /nfs/dbraw/zinc/26/32/31/400263231.db2.gz IVMGQZGCIRSKDD-UHFFFAOYSA-N 1 2 303.387 3.475 20 5 DGBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595810649 400266512 /nfs/dbraw/zinc/26/65/12/400266512.db2.gz ZFJDWHIXHUFDBM-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595810649 400266518 /nfs/dbraw/zinc/26/65/18/400266518.db2.gz ZFJDWHIXHUFDBM-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595815156 400268278 /nfs/dbraw/zinc/26/82/78/400268278.db2.gz LWCCVZIYLAEMFT-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595815156 400268282 /nfs/dbraw/zinc/26/82/82/400268282.db2.gz LWCCVZIYLAEMFT-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000610808778 400309226 /nfs/dbraw/zinc/30/92/26/400309226.db2.gz ISHJRLDVTYUUKM-UHFFFAOYSA-N 1 2 321.377 3.118 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000029537645 400311091 /nfs/dbraw/zinc/31/10/91/400311091.db2.gz HKOVCNDYLPBDKD-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000029537645 400311096 /nfs/dbraw/zinc/31/10/96/400311096.db2.gz HKOVCNDYLPBDKD-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000029951586 400318820 /nfs/dbraw/zinc/31/88/20/400318820.db2.gz MNGRILJYVBSLNY-UHFFFAOYSA-N 1 2 308.297 3.033 20 5 DGBDLO O=[N+]([O-])c1ccccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030587533 400329953 /nfs/dbraw/zinc/32/99/53/400329953.db2.gz XRVFTOIVZCYLNB-UHFFFAOYSA-N 1 2 308.341 3.452 20 5 DGBDLO O=[N+]([O-])c1cccc2c1nccc2N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590079844 400354164 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DGBDLO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602435257 400461390 /nfs/dbraw/zinc/46/13/90/400461390.db2.gz KAMDUSYLCXHAEY-GFCCVEGCSA-N 1 2 318.295 3.224 20 5 DGBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602435257 400461392 /nfs/dbraw/zinc/46/13/92/400461392.db2.gz KAMDUSYLCXHAEY-GFCCVEGCSA-N 1 2 318.295 3.224 20 5 DGBDLO COc1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000602439317 400462077 /nfs/dbraw/zinc/46/20/77/400462077.db2.gz KPPLUJFXKMHQAV-UHFFFAOYSA-N 1 2 319.386 3.225 20 5 DGBDLO COc1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000602439317 400462083 /nfs/dbraw/zinc/46/20/83/400462083.db2.gz KPPLUJFXKMHQAV-UHFFFAOYSA-N 1 2 319.386 3.225 20 5 DGBDLO C[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602447122 400465320 /nfs/dbraw/zinc/46/53/20/400465320.db2.gz BINDHDMUCSCWFY-SSDOTTSWSA-N 1 2 305.197 3.261 20 5 DGBDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602447122 400465326 /nfs/dbraw/zinc/46/53/26/400465326.db2.gz BINDHDMUCSCWFY-SSDOTTSWSA-N 1 2 305.197 3.261 20 5 DGBDLO Cc1nnc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000591348116 400512545 /nfs/dbraw/zinc/51/25/45/400512545.db2.gz OWMRADWHDNQDIA-AWEZNQCLSA-N 1 2 318.402 3.312 20 5 DGBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602697737 400541977 /nfs/dbraw/zinc/54/19/77/400541977.db2.gz HXOOLJNUYNSTKY-YPMHNXCESA-N 1 2 319.361 3.125 20 5 DGBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602697737 400541982 /nfs/dbraw/zinc/54/19/82/400541982.db2.gz HXOOLJNUYNSTKY-YPMHNXCESA-N 1 2 319.361 3.125 20 5 DGBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612461919 400549601 /nfs/dbraw/zinc/54/96/01/400549601.db2.gz ZGZQNXACGXNEPS-MRVPVSSYSA-N 1 2 316.317 3.192 20 5 DGBDLO CC[C@H](C)C[C@H](CO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591980941 400591189 /nfs/dbraw/zinc/59/11/89/400591189.db2.gz IEFWGTDASDIDDO-WCQYABFASA-N 1 2 303.362 3.352 20 5 DGBDLO CC[C@H](C)C[C@@H](CO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591980939 400591431 /nfs/dbraw/zinc/59/14/31/400591431.db2.gz IEFWGTDASDIDDO-AAEUAGOBSA-N 1 2 303.362 3.352 20 5 DGBDLO CC(C)Cn1nccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000592498013 400659739 /nfs/dbraw/zinc/65/97/39/400659739.db2.gz USLOQVOBRMQHJD-UHFFFAOYSA-N 1 2 302.378 3.079 20 5 DGBDLO CC(C)Cn1nccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000592498013 400659742 /nfs/dbraw/zinc/65/97/42/400659742.db2.gz USLOQVOBRMQHJD-UHFFFAOYSA-N 1 2 302.378 3.079 20 5 DGBDLO Cc1cnc(NCCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000078627817 400814679 /nfs/dbraw/zinc/81/46/79/400814679.db2.gz MYXIGCBGMIFTPZ-UHFFFAOYSA-N 1 2 311.345 3.219 20 5 DGBDLO O=[N+]([O-])c1c(NC[C@H]2CCC[C@@H](O)C2)ccc2c[nH+]ccc21 ZINC000599049449 400937719 /nfs/dbraw/zinc/93/77/19/400937719.db2.gz XOWRCTYFPOECLM-WCQYABFASA-N 1 2 301.346 3.106 20 5 DGBDLO C[C@H](C[C@@H]1CCOC1)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599054603 400941064 /nfs/dbraw/zinc/94/10/64/400941064.db2.gz CLELVGFAXNTEHS-NEPJUHHUSA-N 1 2 301.346 3.370 20 5 DGBDLO C[C@@H]1C[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@H](C)O1 ZINC000599086661 400955105 /nfs/dbraw/zinc/95/51/05/400955105.db2.gz RMNGEVSOTGERHE-WZRBSPASSA-N 1 2 301.346 3.368 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@H](C2CCC2)C1 ZINC000599086204 400955244 /nfs/dbraw/zinc/95/52/44/400955244.db2.gz KIZDFCHMDYOJBI-INIZCTEOSA-N 1 2 313.357 3.148 20 5 DGBDLO C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCS1 ZINC000599074864 400952466 /nfs/dbraw/zinc/95/24/66/400952466.db2.gz UYWDHIYXMKEYTE-LLVKDONJSA-N 1 2 303.387 3.475 20 5 DGBDLO CO[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1(C)C ZINC000599083867 400954160 /nfs/dbraw/zinc/95/41/60/400954160.db2.gz NDLPNNVZLJAYQZ-HNNXBMFYSA-N 1 2 315.373 3.394 20 5 DGBDLO Cc1noc(C)c1CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599042415 400935365 /nfs/dbraw/zinc/93/53/65/400935365.db2.gz LRDNNBNAXTZNRS-UHFFFAOYSA-N 1 2 312.329 3.402 20 5 DGBDLO CC[C@H](C)C[C@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599094403 400958943 /nfs/dbraw/zinc/95/89/43/400958943.db2.gz HIEPQTPKMNCBIB-WCQYABFASA-N 1 2 303.362 3.352 20 5 DGBDLO Cc1cc[nH+]c([C@H]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)c1 ZINC000599100243 400960141 /nfs/dbraw/zinc/96/01/41/400960141.db2.gz KWXJRBIRTBEAJR-AWEZNQCLSA-N 1 2 312.373 3.304 20 5 DGBDLO CC(C)(C)OC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000594050078 400965351 /nfs/dbraw/zinc/96/53/51/400965351.db2.gz CJVAHZRDTKMONW-UHFFFAOYSA-N 1 2 320.389 3.291 20 5 DGBDLO CC(C)(C)OC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000594050078 400965357 /nfs/dbraw/zinc/96/53/57/400965357.db2.gz CJVAHZRDTKMONW-UHFFFAOYSA-N 1 2 320.389 3.291 20 5 DGBDLO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1nccs1 ZINC000083198404 401114260 /nfs/dbraw/zinc/11/42/60/401114260.db2.gz GYLIVZWCULIHRU-UHFFFAOYSA-N 1 2 318.358 3.217 20 5 DGBDLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000358291182 286022182 /nfs/dbraw/zinc/02/21/82/286022182.db2.gz SJRFCPORDUZDRS-SNVBAGLBSA-N 1 2 306.391 3.421 20 5 DGBDLO Cc1nc(N(C)Cc2ccccc2[N+](=O)[O-])c2c([nH+]1)CCCC2 ZINC000359714152 286366531 /nfs/dbraw/zinc/36/65/31/286366531.db2.gz GDDIOWSJDQLGJU-UHFFFAOYSA-N 1 2 312.373 3.208 20 5 DGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000187784472 165103717 /nfs/dbraw/zinc/10/37/17/165103717.db2.gz WMRYHWPJBSTRND-AWEZNQCLSA-N 1 2 320.780 3.223 20 5 DGBDLO COc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000195252915 165364087 /nfs/dbraw/zinc/36/40/87/165364087.db2.gz IRNCGASHFFQTIU-UHFFFAOYSA-N 1 2 315.329 3.176 20 5 DGBDLO COc1c(C)cnc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000171792199 432171671 /nfs/dbraw/zinc/17/16/71/432171671.db2.gz QUIIEJVLTBJUNJ-UHFFFAOYSA-N 1 2 315.373 3.247 20 5 DGBDLO COc1c(C)cnc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000171792199 432171675 /nfs/dbraw/zinc/17/16/75/432171675.db2.gz QUIIEJVLTBJUNJ-UHFFFAOYSA-N 1 2 315.373 3.247 20 5 DGBDLO COc1ccnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130980072 196129044 /nfs/dbraw/zinc/12/90/44/196129044.db2.gz NTCKLKCZABFEGX-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130980072 196129046 /nfs/dbraw/zinc/12/90/46/196129046.db2.gz NTCKLKCZABFEGX-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO CC[C@@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000344439583 287391238 /nfs/dbraw/zinc/39/12/38/287391238.db2.gz UFAKEDAZPHCPAA-CQSZACIVSA-N 1 2 307.375 3.172 20 5 DGBDLO Cc1nn(C)c(C)c1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413102818 230132807 /nfs/dbraw/zinc/13/28/07/230132807.db2.gz IIOPKUMAUGEXNO-UHFFFAOYSA-N 1 2 311.345 3.105 20 5 DGBDLO C[C@]1(F)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000347366534 264207662 /nfs/dbraw/zinc/20/76/62/264207662.db2.gz ZMOMGKUZWDFJQF-HNNXBMFYSA-N 1 2 305.309 3.184 20 5 DGBDLO C[C@]1(F)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000347366534 264207665 /nfs/dbraw/zinc/20/76/65/264207665.db2.gz ZMOMGKUZWDFJQF-HNNXBMFYSA-N 1 2 305.309 3.184 20 5 DGBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC000351759288 264806453 /nfs/dbraw/zinc/80/64/53/264806453.db2.gz RVJPQPRSRDXXKJ-VIFPVBQESA-N 1 2 308.284 3.429 20 5 DGBDLO CCc1[nH+]c(C)ccc1OCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000352547107 265084476 /nfs/dbraw/zinc/08/44/76/265084476.db2.gz BZWDZMQDXBPDLR-UHFFFAOYSA-N 1 2 302.330 3.448 20 5 DGBDLO Cn1ccnc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352683333 265127978 /nfs/dbraw/zinc/12/79/78/265127978.db2.gz KFPNKXIYEBLVSR-SFHVURJKSA-N 1 2 322.368 3.208 20 5 DGBDLO Cn1cc[nH+]c1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352683333 265127983 /nfs/dbraw/zinc/12/79/83/265127983.db2.gz KFPNKXIYEBLVSR-SFHVURJKSA-N 1 2 322.368 3.208 20 5 DGBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000355274746 266023627 /nfs/dbraw/zinc/02/36/27/266023627.db2.gz DAIMTMFEEFEWGT-ZFWWWQNUSA-N 1 2 322.405 3.381 20 5 DGBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000355274746 266023630 /nfs/dbraw/zinc/02/36/30/266023630.db2.gz DAIMTMFEEFEWGT-ZFWWWQNUSA-N 1 2 322.405 3.381 20 5 DGBDLO Cc1nn(Cc2cn3c(cccc3C)[nH+]2)c2ccc([N+](=O)[O-])cc12 ZINC000355455286 266078916 /nfs/dbraw/zinc/07/89/16/266078916.db2.gz XWRFWEKCLKUJHP-UHFFFAOYSA-N 1 2 321.340 3.257 20 5 DGBDLO Cc1ccc([C@@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)c(C)c1 ZINC000355782815 266183761 /nfs/dbraw/zinc/18/37/61/266183761.db2.gz FXMVVOSUMSYFMV-CYBMUJFWSA-N 1 2 302.378 3.138 20 5 DGBDLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)c(C)c1 ZINC000355782815 266183765 /nfs/dbraw/zinc/18/37/65/266183765.db2.gz FXMVVOSUMSYFMV-CYBMUJFWSA-N 1 2 302.378 3.138 20 5 DGBDLO Cc1cc(NCCOc2ccc([N+](=O)[O-])cc2)nc(C(C)C)[nH+]1 ZINC000531599733 430145599 /nfs/dbraw/zinc/14/55/99/430145599.db2.gz GTKAGZJAHNLMPV-UHFFFAOYSA-N 1 2 316.361 3.308 20 5 DGBDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649370 280028948 /nfs/dbraw/zinc/02/89/48/280028948.db2.gz LVZQJVXAQPXRFZ-LBPRGKRZSA-N 1 2 322.368 3.418 20 5 DGBDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649370 280028950 /nfs/dbraw/zinc/02/89/50/280028950.db2.gz LVZQJVXAQPXRFZ-LBPRGKRZSA-N 1 2 322.368 3.418 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000093102528 431912769 /nfs/dbraw/zinc/91/27/69/431912769.db2.gz GGKCJCBHNDIKFO-AWEZNQCLSA-N 1 2 320.389 3.209 20 5 DGBDLO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000093102528 431912771 /nfs/dbraw/zinc/91/27/71/431912771.db2.gz GGKCJCBHNDIKFO-AWEZNQCLSA-N 1 2 320.389 3.209 20 5 DGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCS1 ZINC000184226843 432368742 /nfs/dbraw/zinc/36/87/42/432368742.db2.gz FPQHWQIPJAUYTM-LLVKDONJSA-N 1 2 314.382 3.070 20 5 DGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCS1 ZINC000184226843 432368747 /nfs/dbraw/zinc/36/87/47/432368747.db2.gz FPQHWQIPJAUYTM-LLVKDONJSA-N 1 2 314.382 3.070 20 5 DGBDLO CCc1cnc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000175525441 432444648 /nfs/dbraw/zinc/44/46/48/432444648.db2.gz GZNGAEMMJNFOOL-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO CCc1cnc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000175525441 432444652 /nfs/dbraw/zinc/44/46/52/432444652.db2.gz GZNGAEMMJNFOOL-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO CCc1cnc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000175521957 432445096 /nfs/dbraw/zinc/44/50/96/432445096.db2.gz MCFPIZVOUXAQEU-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO CCc1cnc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000175521957 432445099 /nfs/dbraw/zinc/44/50/99/432445099.db2.gz MCFPIZVOUXAQEU-UHFFFAOYSA-N 1 2 321.402 3.125 20 5 DGBDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271518793 432412881 /nfs/dbraw/zinc/41/28/81/432412881.db2.gz OAKXUBAYGYDJIU-QWRGUYRKSA-N 1 2 303.366 3.248 20 5 DGBDLO CCC(C)(C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000265387797 432695757 /nfs/dbraw/zinc/69/57/57/432695757.db2.gz BHWJUYWAFOZYKT-UHFFFAOYSA-N 1 2 316.361 3.041 20 5 DGBDLO Cc1[nH+]c2ccccn2c1CSc1ccc([N+](=O)[O-])cn1 ZINC000160329383 432715741 /nfs/dbraw/zinc/71/57/41/432715741.db2.gz VUCVEZBTALDPRI-UHFFFAOYSA-N 1 2 300.343 3.238 20 5 DGBDLO Cc1ccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268268481 432860320 /nfs/dbraw/zinc/86/03/20/432860320.db2.gz OFJILUNTBVDXAT-CJNGLKHVSA-N 1 2 300.362 3.187 20 5 DGBDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000277431663 432849413 /nfs/dbraw/zinc/84/94/13/432849413.db2.gz NNSUYIXQCFGULV-GHMZBOCLSA-N 1 2 303.366 3.077 20 5 DGBDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000277454769 432851455 /nfs/dbraw/zinc/85/14/55/432851455.db2.gz PRRMCOWILVSEGO-MNOVXSKESA-N 1 2 303.366 3.077 20 5 DGBDLO C[C@H](c1ccco1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267907 433071229 /nfs/dbraw/zinc/07/12/29/433071229.db2.gz SPPOVFWGOVOSAD-SNVBAGLBSA-N 1 2 300.318 3.257 20 5 DGBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267907 433071240 /nfs/dbraw/zinc/07/12/40/433071240.db2.gz SPPOVFWGOVOSAD-SNVBAGLBSA-N 1 2 300.318 3.257 20 5 DGBDLO CC1=CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000280731988 433152829 /nfs/dbraw/zinc/15/28/29/433152829.db2.gz HBGPOQMVMKSDHH-NSHDSACASA-N 1 2 323.780 3.227 20 5 DGBDLO CC1=CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000280731988 433152837 /nfs/dbraw/zinc/15/28/37/433152837.db2.gz HBGPOQMVMKSDHH-NSHDSACASA-N 1 2 323.780 3.227 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(CC(F)F)C1 ZINC000425363818 433202413 /nfs/dbraw/zinc/20/24/13/433202413.db2.gz CYQFTYOJNNLQAM-UHFFFAOYSA-N 1 2 300.305 3.081 20 5 DGBDLO CC[C@]1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413258933 433269376 /nfs/dbraw/zinc/26/93/76/433269376.db2.gz PSWCFJLCZCXUJJ-MRXNPFEDSA-N 1 2 301.346 3.148 20 5 DGBDLO CO[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000413310243 433271832 /nfs/dbraw/zinc/27/18/32/433271832.db2.gz GTALPAHPQYHZPR-NHYWBVRUSA-N 1 2 301.346 3.004 20 5 DGBDLO C[C@@H]1CC[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447809079 433282784 /nfs/dbraw/zinc/28/27/84/433282784.db2.gz ASIBZAYBGNGXPV-UKRRQHHQSA-N 1 2 319.405 3.028 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521547 290251483 /nfs/dbraw/zinc/25/14/83/290251483.db2.gz JPVRYQVCEGSYNE-RISCZKNCSA-N 1 2 319.386 3.186 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521547 290251486 /nfs/dbraw/zinc/25/14/86/290251486.db2.gz JPVRYQVCEGSYNE-RISCZKNCSA-N 1 2 319.386 3.186 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCOc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000426536023 433527442 /nfs/dbraw/zinc/52/74/42/433527442.db2.gz DEIUZJMWIUSFDR-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1ccc(C[N@H+]2CCOc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000426536023 433527449 /nfs/dbraw/zinc/52/74/49/433527449.db2.gz DEIUZJMWIUSFDR-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448832389 433572534 /nfs/dbraw/zinc/57/25/34/433572534.db2.gz CWABBDYTKPNMAE-UHFFFAOYSA-N 1 2 316.361 3.089 20 5 DGBDLO CC(C)(C)c1nc(NCCNc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000301515888 433587277 /nfs/dbraw/zinc/58/72/77/433587277.db2.gz JVMDIHNATAXFRZ-UHFFFAOYSA-N 1 2 315.377 3.206 20 5 DGBDLO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000301508668 433588862 /nfs/dbraw/zinc/58/88/62/433588862.db2.gz DQGIPMMOVHYZGO-LLVKDONJSA-N 1 2 307.741 3.098 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000163565916 292869363 /nfs/dbraw/zinc/86/93/63/292869363.db2.gz KCXGBVNDDXLGQA-UHFFFAOYSA-N 1 2 324.340 3.282 20 5 DGBDLO CCOc1cc(NCCc2cc[nH+]cc2C)ccc1[N+](=O)[O-] ZINC000301818427 433740190 /nfs/dbraw/zinc/74/01/90/433740190.db2.gz FOHAYXOSTDPVHS-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000377383354 293651673 /nfs/dbraw/zinc/65/16/73/293651673.db2.gz PZHALDBMLOQLLL-XLKFXECMSA-N 1 2 308.334 3.407 20 5 DGBDLO Cc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000285453507 433950384 /nfs/dbraw/zinc/95/03/84/433950384.db2.gz JDFSGJSLQSXXAS-SNVBAGLBSA-N 1 2 307.300 3.427 20 5 DGBDLO CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000285476361 433960100 /nfs/dbraw/zinc/96/01/00/433960100.db2.gz CQRKTVYXXMXJNU-LBPRGKRZSA-N 1 2 305.294 3.035 20 5 DGBDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000285536997 433986361 /nfs/dbraw/zinc/98/63/61/433986361.db2.gz FULUKNYFRDUQMF-HNNXBMFYSA-N 1 2 316.361 3.322 20 5 DGBDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000285536997 433986372 /nfs/dbraw/zinc/98/63/72/433986372.db2.gz FULUKNYFRDUQMF-HNNXBMFYSA-N 1 2 316.361 3.322 20 5 DGBDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC000285649389 434028750 /nfs/dbraw/zinc/02/87/50/434028750.db2.gz MFINAHMUTARANE-CQSZACIVSA-N 1 2 302.334 3.013 20 5 DGBDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC000285649389 434028756 /nfs/dbraw/zinc/02/87/56/434028756.db2.gz MFINAHMUTARANE-CQSZACIVSA-N 1 2 302.334 3.013 20 5 DGBDLO O=[N+]([O-])c1ccc(CNc2[nH+]cccc2OC(F)F)c(F)c1 ZINC000346066187 434094837 /nfs/dbraw/zinc/09/48/37/434094837.db2.gz LDNQPTYBXCOMJM-UHFFFAOYSA-N 1 2 313.235 3.342 20 5 DGBDLO O=[N+]([O-])c1ccc(CNc2[nH]c3cccc(Cl)c3[nH+]2)cc1 ZINC000508472265 294324202 /nfs/dbraw/zinc/32/42/02/294324202.db2.gz HUWCJVKCYCMXJQ-UHFFFAOYSA-N 1 2 302.721 3.159 20 5 DGBDLO CCN(CC)c1ccc(CNc2ccc(N)cc2[N+](=O)[O-])c[nH+]1 ZINC000286410530 434259732 /nfs/dbraw/zinc/25/97/32/434259732.db2.gz ONPREZFARWRYMM-UHFFFAOYSA-N 1 2 315.377 3.030 20 5 DGBDLO Cc1cc(N[C@H]2CC[C@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340842889 434386065 /nfs/dbraw/zinc/38/60/65/434386065.db2.gz ABIPKLQOERFCMM-STQMWFEESA-N 1 2 316.336 3.085 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC000393329328 434388773 /nfs/dbraw/zinc/38/87/73/434388773.db2.gz PIKLTCTXVKOWAN-JTQLQIEISA-N 1 2 308.769 3.141 20 5 DGBDLO C[C@@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])c2[nH+]ccn21 ZINC000450820051 434423125 /nfs/dbraw/zinc/42/31/25/434423125.db2.gz MVHAHRUOVXXOAP-MFKMUULPSA-N 1 2 309.329 3.457 20 5 DGBDLO Cc1c(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000440491903 434705717 /nfs/dbraw/zinc/70/57/17/434705717.db2.gz XDYLQGJUSPKYFP-UHFFFAOYSA-N 1 2 314.389 3.449 20 5 DGBDLO Cc1c(C[N@H+](C)Cc2cnc(C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000440491903 434705722 /nfs/dbraw/zinc/70/57/22/434705722.db2.gz XDYLQGJUSPKYFP-UHFFFAOYSA-N 1 2 314.389 3.449 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000573338077 434892439 /nfs/dbraw/zinc/89/24/39/434892439.db2.gz CIEPBEFVJOYJIR-UFBFGSQYSA-N 1 2 304.375 3.093 20 5 DGBDLO Cc1ccc(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000492088497 434913014 /nfs/dbraw/zinc/91/30/14/434913014.db2.gz MNYMXSIPCDKQBC-YVMONPNESA-N 1 2 315.304 3.398 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2n1C ZINC000524698630 434985003 /nfs/dbraw/zinc/98/50/03/434985003.db2.gz HUFFKKQCLNZDPQ-UHFFFAOYSA-N 1 2 324.340 3.351 20 5 DGBDLO Cc1cc(C)c(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000560470082 435170586 /nfs/dbraw/zinc/17/05/86/435170586.db2.gz DERDBWUGGOCMCL-CYBMUJFWSA-N 1 2 313.357 3.027 20 5 DGBDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511143344 435316008 /nfs/dbraw/zinc/31/60/08/435316008.db2.gz QLLZSDNLTFZMKB-AWEZNQCLSA-N 1 2 322.405 3.189 20 5 DGBDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511143344 435316013 /nfs/dbraw/zinc/31/60/13/435316013.db2.gz QLLZSDNLTFZMKB-AWEZNQCLSA-N 1 2 322.405 3.189 20 5 DGBDLO C[N@H+]1Cc2ccccc2[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000536021658 435368081 /nfs/dbraw/zinc/36/80/81/435368081.db2.gz DXLRTPKPKBKEPG-OAHLLOKOSA-N 1 2 319.311 3.472 20 5 DGBDLO C[N@@H+]1Cc2ccccc2[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000536021658 435368086 /nfs/dbraw/zinc/36/80/86/435368086.db2.gz DXLRTPKPKBKEPG-OAHLLOKOSA-N 1 2 319.311 3.472 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000548874431 435725199 /nfs/dbraw/zinc/72/51/99/435725199.db2.gz OTCLMRLBDVDRQB-GFCCVEGCSA-N 1 2 317.393 3.101 20 5 DGBDLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451965861 301326025 /nfs/dbraw/zinc/32/60/25/301326025.db2.gz DIZACYMSKVMNDR-CQSZACIVSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451965861 301326028 /nfs/dbraw/zinc/32/60/28/301326028.db2.gz DIZACYMSKVMNDR-CQSZACIVSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1nnc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000562413097 315018236 /nfs/dbraw/zinc/01/82/36/315018236.db2.gz ZPNPGOLXQIYELN-CYBMUJFWSA-N 1 2 318.402 3.267 20 5 DGBDLO COCc1nc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000565922545 315297523 /nfs/dbraw/zinc/29/75/23/315297523.db2.gz LGFKNXGXMVCUNT-NSHDSACASA-N 1 2 321.402 3.357 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000573338076 315859479 /nfs/dbraw/zinc/85/94/79/315859479.db2.gz CIEPBEFVJOYJIR-QPUJVOFHSA-N 1 2 304.375 3.093 20 5 DGBDLO C[C@H]1CSCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000575893508 316073029 /nfs/dbraw/zinc/07/30/29/316073029.db2.gz IJMRTQNGFLBOAW-LLVKDONJSA-N 1 2 303.387 3.332 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000576714584 316160034 /nfs/dbraw/zinc/16/00/34/316160034.db2.gz BLCMTRGQTVYQJE-LBPRGKRZSA-N 1 2 316.386 3.101 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180419074 323229203 /nfs/dbraw/zinc/22/92/03/323229203.db2.gz OALDHYUYXMJRPU-SNVBAGLBSA-N 1 2 314.301 3.089 20 5 DGBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2cc[nH]n2)c2ccccc2)c1 ZINC000180493965 323230603 /nfs/dbraw/zinc/23/06/03/323230603.db2.gz OTLJAWQPVRTQNT-KRWDZBQOSA-N 1 2 308.341 3.197 20 5 DGBDLO COC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000184515758 323367068 /nfs/dbraw/zinc/36/70/68/323367068.db2.gz APTJADUSMYUXIW-GFCCVEGCSA-N 1 2 310.737 3.319 20 5 DGBDLO CCOC[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413175008 528940553 /nfs/dbraw/zinc/94/05/53/528940553.db2.gz QOCIURITWLNJTO-GFCCVEGCSA-N 1 2 301.346 3.006 20 5 DGBDLO CC(C)CCc1noc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000451102599 534977170 /nfs/dbraw/zinc/97/71/70/534977170.db2.gz DPORJYHUKIAHMY-LBPRGKRZSA-N 1 2 318.377 3.417 20 5 DGBDLO CCO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000451547030 535631304 /nfs/dbraw/zinc/63/13/04/535631304.db2.gz STKAMQVXPLLZPB-BMIGLBTASA-N 1 2 314.332 3.120 20 5 DGBDLO CCO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000451547030 535631310 /nfs/dbraw/zinc/63/13/10/535631310.db2.gz STKAMQVXPLLZPB-BMIGLBTASA-N 1 2 314.332 3.120 20 5 DGBDLO CCN(CC)c1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)c[nH+]1 ZINC000470870861 535689574 /nfs/dbraw/zinc/68/95/74/535689574.db2.gz FJQJGPCMCGYVJQ-UHFFFAOYSA-N 1 2 301.350 3.283 20 5 DGBDLO Cc1cn2cc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000750835884 575754619 /nfs/dbraw/zinc/75/46/19/575754619.db2.gz PPGIKIFRWRNZSA-WTKPLQERSA-N 1 2 322.324 3.203 20 5 DGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC2CC1(C)C2 ZINC000852786987 620648833 /nfs/dbraw/zinc/64/88/33/620648833.db2.gz RGSRDBLCRIRROR-SBTGLGLWSA-N 1 2 323.780 3.060 20 5 DGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC2CC1(C)C2 ZINC000852786987 620648834 /nfs/dbraw/zinc/64/88/34/620648834.db2.gz RGSRDBLCRIRROR-SBTGLGLWSA-N 1 2 323.780 3.060 20 5 DGBDLO CCCc1ncc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000894752602 618446718 /nfs/dbraw/zinc/44/67/18/618446718.db2.gz CRLAFQUIJZMZFN-UHFFFAOYSA-N 1 2 309.753 3.479 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000895352907 618601170 /nfs/dbraw/zinc/60/11/70/618601170.db2.gz OLEDTMJCEHWCBI-UHFFFAOYSA-N 1 2 312.373 3.379 20 5 DGBDLO Cc1ccnc(N)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000893945699 618681282 /nfs/dbraw/zinc/68/12/82/618681282.db2.gz KMQCFPJRBFLALJ-UHFFFAOYSA-N 1 2 312.373 3.045 20 5 DGBDLO Cc1ccnc(N)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000893945699 618681285 /nfs/dbraw/zinc/68/12/85/618681285.db2.gz KMQCFPJRBFLALJ-UHFFFAOYSA-N 1 2 312.373 3.045 20 5 DGBDLO COc1cc([C@H](C)[NH2+]Cc2csc(C)n2)cc([N+](=O)[O-])c1 ZINC000903074160 619715860 /nfs/dbraw/zinc/71/58/60/619715860.db2.gz MNBXEGNWTDDDGV-VIFPVBQESA-N 1 2 307.375 3.219 20 5 DGBDLO O=C(Oc1cccc([N+](=O)[O-])c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916293815 620624798 /nfs/dbraw/zinc/62/47/98/620624798.db2.gz ISNUBXFGDYWGFC-UHFFFAOYSA-N 1 2 323.308 3.059 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000922470725 621040916 /nfs/dbraw/zinc/04/09/16/621040916.db2.gz RGNJIDUABXAXHL-UHFFFAOYSA-N 1 2 323.805 3.483 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2C(F)F)cc1[N+](=O)[O-] ZINC000866563681 622139442 /nfs/dbraw/zinc/13/94/42/622139442.db2.gz PNPVTVNFHMSLAI-SNVBAGLBSA-N 1 2 324.331 3.425 20 5 DGBDLO CC1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000764119514 622180392 /nfs/dbraw/zinc/18/03/92/622180392.db2.gz HKJMXKLWJAPGEN-UHFFFAOYSA-N 1 2 315.329 3.128 20 5 DGBDLO CCc1noc(C)c1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000769868801 622570084 /nfs/dbraw/zinc/57/00/84/622570084.db2.gz AKNYHVFNPSMDKF-JTQLQIEISA-N 1 2 319.361 3.313 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872031446 622763001 /nfs/dbraw/zinc/76/30/01/622763001.db2.gz KIOMKDYCTRZQHM-JTQLQIEISA-N 1 2 320.320 3.299 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC000872033794 622764920 /nfs/dbraw/zinc/76/49/20/622764920.db2.gz JPEOCJQMGPJAOG-SNVBAGLBSA-N 1 2 307.375 3.464 20 5 DGBDLO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872079521 622793668 /nfs/dbraw/zinc/79/36/68/622793668.db2.gz ZDJBBVWGLZEXFV-MNOVXSKESA-N 1 2 306.341 3.362 20 5 DGBDLO C[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774822715 623196183 /nfs/dbraw/zinc/19/61/83/623196183.db2.gz PGDNAQLMLBZSPG-UHFFFAOYSA-N 1 2 307.331 3.197 20 5 DGBDLO C[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774822715 623196185 /nfs/dbraw/zinc/19/61/85/623196185.db2.gz PGDNAQLMLBZSPG-UHFFFAOYSA-N 1 2 307.331 3.197 20 5 DGBDLO COCC1(C2CC2)C[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877686586 623992357 /nfs/dbraw/zinc/99/23/57/623992357.db2.gz QUNOKRZUPSECEN-UHFFFAOYSA-N 1 2 310.781 3.107 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc(Cl)cn2)C2CC2)c1 ZINC000799127596 626275638 /nfs/dbraw/zinc/27/56/38/626275638.db2.gz VXYAUFBRFTUANU-UHFFFAOYSA-N 1 2 318.764 3.203 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc(Cl)cn2)C2CC2)c1 ZINC000799127596 626275642 /nfs/dbraw/zinc/27/56/42/626275642.db2.gz VXYAUFBRFTUANU-UHFFFAOYSA-N 1 2 318.764 3.203 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000804429552 626679022 /nfs/dbraw/zinc/67/90/22/626679022.db2.gz LSIJZPFRILMASU-LBPRGKRZSA-N 1 2 306.753 3.286 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000804429551 626679060 /nfs/dbraw/zinc/67/90/60/626679060.db2.gz LSIJZPFRILMASU-GFCCVEGCSA-N 1 2 306.753 3.286 20 5 DGBDLO CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809982697 626965243 /nfs/dbraw/zinc/96/52/43/626965243.db2.gz WXMPOQVUCBZILP-CYBMUJFWSA-N 1 2 319.188 3.248 20 5 DGBDLO CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809982697 626965247 /nfs/dbraw/zinc/96/52/47/626965247.db2.gz WXMPOQVUCBZILP-CYBMUJFWSA-N 1 2 319.188 3.248 20 5 DGBDLO C[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809976696 626965283 /nfs/dbraw/zinc/96/52/83/626965283.db2.gz JHEPYYDSSQWCKU-CYBMUJFWSA-N 1 2 319.188 3.248 20 5 DGBDLO C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809976696 626965284 /nfs/dbraw/zinc/96/52/84/626965284.db2.gz JHEPYYDSSQWCKU-CYBMUJFWSA-N 1 2 319.188 3.248 20 5 DGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886120702 627108486 /nfs/dbraw/zinc/10/84/86/627108486.db2.gz LUOUMZBOAJQNGN-KOLCDFICSA-N 1 2 303.284 3.153 20 5 DGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886120702 627108487 /nfs/dbraw/zinc/10/84/87/627108487.db2.gz LUOUMZBOAJQNGN-KOLCDFICSA-N 1 2 303.284 3.153 20 5 DGBDLO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000886176676 627117836 /nfs/dbraw/zinc/11/78/36/627117836.db2.gz IPOAKDGWHJRGJD-AWEZNQCLSA-N 1 2 321.764 3.121 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CC[N@@H+]3C3CCCC3)n2)s1 ZINC000924007096 627595548 /nfs/dbraw/zinc/59/55/48/627595548.db2.gz UBQKJQUQMQAHLB-JTQLQIEISA-N 1 2 320.374 3.396 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CC[N@H+]3C3CCCC3)n2)s1 ZINC000924007096 627595553 /nfs/dbraw/zinc/59/55/53/627595553.db2.gz UBQKJQUQMQAHLB-JTQLQIEISA-N 1 2 320.374 3.396 20 5 DGBDLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000924796749 627680585 /nfs/dbraw/zinc/68/05/85/627680585.db2.gz CNFWNJWVKJXLNA-NEPJUHHUSA-N 1 2 303.366 3.179 20 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Cc1nnc(C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C(C)(C)C)o1 ZINC001459685763 1182604535 /nfs/dbraw/zinc/60/45/35/1182604535.db2.gz BXOXGDVMCDUTEB-UHFFFAOYSA-N 1 2 318.377 3.395 20 5 DGBDLO Cc1nnc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C(C)(C)C)o1 ZINC001459685763 1182604539 /nfs/dbraw/zinc/60/45/39/1182604539.db2.gz BXOXGDVMCDUTEB-UHFFFAOYSA-N 1 2 318.377 3.395 20 5 DGBDLO CC(C)c1[nH]cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)[nH+]1 ZINC001472886045 1183695895 /nfs/dbraw/zinc/69/58/95/1183695895.db2.gz KSJGTOOVBBHBTN-UHFFFAOYSA-N 1 2 315.377 3.327 20 5 DGBDLO CC(C)c1[nH]c(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c[nH+]1 ZINC001472886045 1183695898 /nfs/dbraw/zinc/69/58/98/1183695898.db2.gz KSJGTOOVBBHBTN-UHFFFAOYSA-N 1 2 315.377 3.327 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2[nH]c3c([nH+]2)CCCC3)c2ccncc21 ZINC001559288278 1189193163 /nfs/dbraw/zinc/19/31/63/1189193163.db2.gz WKXTVNITGAUFBO-UHFFFAOYSA-N 1 2 323.356 3.357 20 5 DGBDLO Cc1c[nH+]c(CCNc2c3ccccc3ncc2[N+](=O)[O-])c(C)c1 ZINC001640095125 1194796547 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3.130 20 5 DGBDLO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001655699000 1195951550 /nfs/dbraw/zinc/95/15/50/1195951550.db2.gz QUTNIYKPOPXBRZ-INIZCTEOSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001655699000 1195951553 /nfs/dbraw/zinc/95/15/53/1195951553.db2.gz QUTNIYKPOPXBRZ-INIZCTEOSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1ncc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC001656418952 1196037394 /nfs/dbraw/zinc/03/73/94/1196037394.db2.gz FKQWYBJMCLVOSW-UHFFFAOYSA-N 1 2 313.313 3.441 20 5 DGBDLO Cc1ncc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC001657518560 1196150799 /nfs/dbraw/zinc/15/07/99/1196150799.db2.gz YATGXHVFYLPUIC-UHFFFAOYSA-N 1 2 313.313 3.441 20 5 DGBDLO O=[N+]([O-])c1cccc(Br)c1CNc1cccc[nH+]1 ZINC001661015062 1196553492 /nfs/dbraw/zinc/55/34/92/1196553492.db2.gz FWPLEFJVAIBNAI-UHFFFAOYSA-N 1 2 308.135 3.364 20 5 DGBDLO CCn1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001663871122 1196952776 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Cc1cc(C)c([N+](=O)[O-])c(NCc2c[nH+]cn2CC2CCC2)n1 ZINC001161533624 1089276826 /nfs/dbraw/zinc/27/68/26/1089276826.db2.gz WJUICABYKDKDSA-UHFFFAOYSA-N 1 2 315.377 3.215 20 5 DGBDLO c1cn(CCCNc2cc3cccnc3c3ncccc23)c[nH+]1 ZINC001161688230 1089348132 /nfs/dbraw/zinc/34/81/32/1089348132.db2.gz MFFOVQVXVKVXDQ-UHFFFAOYSA-N 1 2 303.369 3.482 20 5 DGBDLO Cc1c(Nc2cccn3cc[nH+]c23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292785 1093447081 /nfs/dbraw/zinc/44/70/81/1093447081.db2.gz UPFJQDVVFPXWKL-UHFFFAOYSA-N 1 2 313.273 3.203 20 5 DGBDLO Cc1c(Nc2ccn3cc[nH+]c3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291280 1093447197 /nfs/dbraw/zinc/44/71/97/1093447197.db2.gz BLVXWASROWTNNG-UHFFFAOYSA-N 1 2 313.273 3.203 20 5 DGBDLO COc1ccc2[nH+]ccc(Nc3ccc(C)c([N+](=O)[O-])c3)c2n1 ZINC001213663431 1093636515 /nfs/dbraw/zinc/63/65/15/1093636515.db2.gz GJWXGMGECIXNNT-UHFFFAOYSA-N 1 2 310.313 3.021 20 5 DGBDLO O=[N+]([O-])c1cc(F)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001216481984 1094205875 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DGBDLO CCOC(=O)[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](C)CC ZINC001254542462 1106099579 /nfs/dbraw/zinc/09/95/79/1106099579.db2.gz NPJQWEBHTZXRMG-HEHGZKQESA-N 1 2 322.405 3.093 20 5 DGBDLO CCCCC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC001254550051 1106101624 /nfs/dbraw/zinc/10/16/24/1106101624.db2.gz CDOYSTAAWRTFIG-HIFRSBDPSA-N 1 2 322.405 3.237 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)[nH+]c1C ZINC001308071390 1111374047 /nfs/dbraw/zinc/37/40/47/1111374047.db2.gz SJOJDYFYCZBAET-HNNXBMFYSA-N 1 2 318.352 3.411 20 5 DGBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000295091952 529580430 /nfs/dbraw/zinc/58/04/30/529580430.db2.gz ZJAGRBHQVXYBFZ-UHFFFAOYSA-N 1 2 314.267 3.442 20 5 DGBDLO CN(CC1CCOCC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413224146 529866460 /nfs/dbraw/zinc/86/64/60/529866460.db2.gz YCYCHWXGCSLAOF-UHFFFAOYSA-N 1 2 301.346 3.006 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000066435932 432016050 /nfs/dbraw/zinc/01/60/50/432016050.db2.gz BNJSAESHCNPUGP-MRXNPFEDSA-N 1 2 316.357 3.369 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000066435932 432016052 /nfs/dbraw/zinc/01/60/52/432016052.db2.gz BNJSAESHCNPUGP-MRXNPFEDSA-N 1 2 316.357 3.369 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000179681518 186204704 /nfs/dbraw/zinc/20/47/04/186204704.db2.gz HBNMRTOKGORPIN-GFCCVEGCSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000179681518 186204705 /nfs/dbraw/zinc/20/47/05/186204705.db2.gz HBNMRTOKGORPIN-GFCCVEGCSA-N 1 2 301.346 3.191 20 5 DGBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000183842714 186223276 /nfs/dbraw/zinc/22/32/76/186223276.db2.gz XFSLWWZBWWJMRI-ZDUSSCGKSA-N 1 2 310.737 3.319 20 5 DGBDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000277153204 213330751 /nfs/dbraw/zinc/33/07/51/213330751.db2.gz GAVAAHRBEVXVHE-PWSUYJOCSA-N 1 2 317.393 3.386 20 5 DGBDLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000180442179 199159662 /nfs/dbraw/zinc/15/96/62/199159662.db2.gz BDJYDWLUIHIZCC-JTQLQIEISA-N 1 2 304.350 3.126 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H]3c3ccccc3)nc2c1 ZINC000444654690 239314632 /nfs/dbraw/zinc/31/46/32/239314632.db2.gz XYOMBKVWGBFWSZ-INIZCTEOSA-N 1 2 308.341 3.418 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H]3c3ccccc3)nc2c1 ZINC000444654690 239314634 /nfs/dbraw/zinc/31/46/34/239314634.db2.gz XYOMBKVWGBFWSZ-INIZCTEOSA-N 1 2 308.341 3.418 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521546 201398238 /nfs/dbraw/zinc/39/82/38/201398238.db2.gz JPVRYQVCEGSYNE-FZMZJTMJSA-N 1 2 319.386 3.186 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521546 201398241 /nfs/dbraw/zinc/39/82/41/201398241.db2.gz JPVRYQVCEGSYNE-FZMZJTMJSA-N 1 2 319.386 3.186 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c(F)cccc3F)nc2c1 ZINC000446856659 239581286 /nfs/dbraw/zinc/58/12/86/239581286.db2.gz PEZLPPKTGJXNEJ-UHFFFAOYSA-N 1 2 318.283 3.039 20 5 DGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCSCC2)c1 ZINC000292941104 223318598 /nfs/dbraw/zinc/31/85/98/223318598.db2.gz AYIASLHKZYHISH-UHFFFAOYSA-N 1 2 306.309 3.162 20 5 DGBDLO Cc1c([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000282927171 217331731 /nfs/dbraw/zinc/33/17/31/217331731.db2.gz YELSCPGHKKDDCH-LBPRGKRZSA-N 1 2 317.393 3.101 20 5 DGBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000190317943 432143673 /nfs/dbraw/zinc/14/36/73/432143673.db2.gz DHIOGRNXNZNOME-UHFFFAOYSA-N 1 2 319.390 3.049 20 5 DGBDLO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccn1 ZINC000181787071 432144691 /nfs/dbraw/zinc/14/46/91/432144691.db2.gz IVQUPSBFPJDDIC-GFCCVEGCSA-N 1 2 324.340 3.496 20 5 DGBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC(n2cc[nH+]c2)CC1 ZINC000276680198 285101521 /nfs/dbraw/zinc/10/15/21/285101521.db2.gz UXUQVQVQWBCNFH-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO O=C(CSc1[nH+]cc2ccccn21)c1ccc([N+](=O)[O-])cc1 ZINC000339038508 253394787 /nfs/dbraw/zinc/39/47/87/253394787.db2.gz VYYGMYWAPPKJGW-UHFFFAOYSA-N 1 2 313.338 3.218 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000413203293 285147972 /nfs/dbraw/zinc/14/79/72/285147972.db2.gz MLYPVMOLNPGFIN-ZIAGYGMSSA-N 1 2 313.357 3.006 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000292625346 285154585 /nfs/dbraw/zinc/15/45/85/285154585.db2.gz XSWSNSXMKJJPRO-UHFFFAOYSA-N 1 2 306.753 3.286 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000342802510 254054260 /nfs/dbraw/zinc/05/42/60/254054260.db2.gz NGKGNUQBJSJBSC-LLVKDONJSA-N 1 2 304.325 3.228 20 5 DGBDLO Cc1cccc2[nH+]c(CSc3ncccc3[N+](=O)[O-])cn21 ZINC000120449165 195168491 /nfs/dbraw/zinc/16/84/91/195168491.db2.gz ZVGWBLGYJVIOLE-UHFFFAOYSA-N 1 2 300.343 3.238 20 5 DGBDLO Cc1ccc[nH+]c1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000294911966 224303889 /nfs/dbraw/zinc/30/38/89/224303889.db2.gz FUNGBIYDHCYYOX-UHFFFAOYSA-N 1 2 317.374 3.052 20 5 DGBDLO COc1cncc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000289905518 221306759 /nfs/dbraw/zinc/30/67/59/221306759.db2.gz NCLRVRMSJGLYQX-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO COc1cncc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000289905518 221306762 /nfs/dbraw/zinc/30/67/62/221306762.db2.gz NCLRVRMSJGLYQX-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000121765717 195343653 /nfs/dbraw/zinc/34/36/53/195343653.db2.gz YKZACVYBDUTHSP-YGRLFVJLSA-N 1 2 322.315 3.157 20 5 DGBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609560807 400175775 /nfs/dbraw/zinc/17/57/75/400175775.db2.gz CEJDKLANBQBPTG-CYBMUJFWSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1noc(C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)c1[N+](=O)[O-] ZINC000595327964 400128974 /nfs/dbraw/zinc/12/89/74/400128974.db2.gz GSFUWQSVOKEVAY-SNVBAGLBSA-N 1 2 305.309 3.150 20 5 DGBDLO Cc1noc(C[N@H+]2CCc3cc(F)ccc3[C@H]2C)c1[N+](=O)[O-] ZINC000595327964 400128979 /nfs/dbraw/zinc/12/89/79/400128979.db2.gz GSFUWQSVOKEVAY-SNVBAGLBSA-N 1 2 305.309 3.150 20 5 DGBDLO Cc1cccn2cc(CNc3cccc(F)c3[N+](=O)[O-])[nH+]c12 ZINC000091628458 400129424 /nfs/dbraw/zinc/12/94/24/400129424.db2.gz DYRKDIIAUBZZMH-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000595343346 400132615 /nfs/dbraw/zinc/13/26/15/400132615.db2.gz POMWXUPELPAHEJ-NSHDSACASA-N 1 2 305.334 3.180 20 5 DGBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000595343346 400132616 /nfs/dbraw/zinc/13/26/16/400132616.db2.gz POMWXUPELPAHEJ-NSHDSACASA-N 1 2 305.334 3.180 20 5 DGBDLO Cc1nc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)o1 ZINC000595352492 400133343 /nfs/dbraw/zinc/13/33/43/400133343.db2.gz LOYJBILZJSVRBK-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO Cc1nc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)o1 ZINC000595352492 400133349 /nfs/dbraw/zinc/13/33/49/400133349.db2.gz LOYJBILZJSVRBK-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])cc2[nH+]1 ZINC000010895550 400137959 /nfs/dbraw/zinc/13/79/59/400137959.db2.gz HHNMGIWEOVTGBY-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3cccc(C)c3[N+](=O)[O-])ccc2[nH+]1 ZINC000010895550 400137962 /nfs/dbraw/zinc/13/79/62/400137962.db2.gz HHNMGIWEOVTGBY-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000595398317 400140972 /nfs/dbraw/zinc/14/09/72/400140972.db2.gz OYCTZMUAMMTHCT-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000595398317 400140976 /nfs/dbraw/zinc/14/09/76/400140976.db2.gz OYCTZMUAMMTHCT-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000595398957 400141413 /nfs/dbraw/zinc/14/14/13/400141413.db2.gz SQGOYMHDSYJQJD-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000595398957 400141420 /nfs/dbraw/zinc/14/14/20/400141420.db2.gz SQGOYMHDSYJQJD-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO Cc1noc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595453852 400155042 /nfs/dbraw/zinc/15/50/42/400155042.db2.gz HROKDJJGUUOCTN-JTQLQIEISA-N 1 2 321.299 3.302 20 5 DGBDLO Cc1noc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595453852 400155043 /nfs/dbraw/zinc/15/50/43/400155043.db2.gz HROKDJJGUUOCTN-JTQLQIEISA-N 1 2 321.299 3.302 20 5 DGBDLO C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000586794961 400158488 /nfs/dbraw/zinc/15/84/88/400158488.db2.gz FPOGSLDYMRPNBY-ABAIWWIYSA-N 1 2 300.362 3.130 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000610247998 400229212 /nfs/dbraw/zinc/22/92/12/400229212.db2.gz BSOASNNCLPUSGK-CHWSQXEVSA-N 1 2 300.362 3.259 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000610247998 400229215 /nfs/dbraw/zinc/22/92/15/400229215.db2.gz BSOASNNCLPUSGK-CHWSQXEVSA-N 1 2 300.362 3.259 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610276185 400232002 /nfs/dbraw/zinc/23/20/02/400232002.db2.gz BSVHLMJTBHTEIF-LBPRGKRZSA-N 1 2 306.753 3.286 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610276184 400232055 /nfs/dbraw/zinc/23/20/55/400232055.db2.gz BSVHLMJTBHTEIF-GFCCVEGCSA-N 1 2 306.753 3.286 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccncc2)C2CC2)c(F)c1 ZINC000093222502 400233196 /nfs/dbraw/zinc/23/31/96/400233196.db2.gz LWJVLVWSNPIGAY-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccncc2)C2CC2)c(F)c1 ZINC000093222502 400233201 /nfs/dbraw/zinc/23/32/01/400233201.db2.gz LWJVLVWSNPIGAY-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2ccccc2F)CC2CC2)c1[N+](=O)[O-] ZINC000595768346 400254386 /nfs/dbraw/zinc/25/43/86/400254386.db2.gz YXAGJVYHFCOSFS-UHFFFAOYSA-N 1 2 319.336 3.443 20 5 DGBDLO Cc1noc(C[N@H+](Cc2ccccc2F)CC2CC2)c1[N+](=O)[O-] ZINC000595768346 400254387 /nfs/dbraw/zinc/25/43/87/400254387.db2.gz YXAGJVYHFCOSFS-UHFFFAOYSA-N 1 2 319.336 3.443 20 5 DGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000023889721 400213157 /nfs/dbraw/zinc/21/31/57/400213157.db2.gz WLKJEZOTYOGZPP-UHFFFAOYSA-N 1 2 314.326 3.094 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595808532 400265372 /nfs/dbraw/zinc/26/53/72/400265372.db2.gz NNTXILQEHJZMNK-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595808532 400265375 /nfs/dbraw/zinc/26/53/75/400265375.db2.gz NNTXILQEHJZMNK-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595810650 400267015 /nfs/dbraw/zinc/26/70/15/400267015.db2.gz ZFJDWHIXHUFDBM-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595810650 400267019 /nfs/dbraw/zinc/26/70/19/400267019.db2.gz ZFJDWHIXHUFDBM-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO O=C1CCCC12CC[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000595815571 400268546 /nfs/dbraw/zinc/26/85/46/400268546.db2.gz GSVGTULOLZENQH-UHFFFAOYSA-N 1 2 324.327 3.208 20 5 DGBDLO Cc1[nH+]cccc1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000589267731 400283472 /nfs/dbraw/zinc/28/34/72/400283472.db2.gz ZQSWFFOJMZZCEW-UHFFFAOYSA-N 1 2 302.721 3.350 20 5 DGBDLO Cc1noc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000595909433 400292256 /nfs/dbraw/zinc/29/22/56/400292256.db2.gz NOHYDNDUHFUCNK-MRXNPFEDSA-N 1 2 301.346 3.306 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595920480 400294594 /nfs/dbraw/zinc/29/45/94/400294594.db2.gz TXCMOLWIWXYDAB-UEKVPHQBSA-N 1 2 314.332 3.400 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595920480 400294596 /nfs/dbraw/zinc/29/45/96/400294596.db2.gz TXCMOLWIWXYDAB-UEKVPHQBSA-N 1 2 314.332 3.400 20 5 DGBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610729594 400297787 /nfs/dbraw/zinc/29/77/87/400297787.db2.gz QVRYWYUXEKPPTD-OAHLLOKOSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610729594 400297793 /nfs/dbraw/zinc/29/77/93/400297793.db2.gz QVRYWYUXEKPPTD-OAHLLOKOSA-N 1 2 318.352 3.113 20 5 DGBDLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610943619 400325590 /nfs/dbraw/zinc/32/55/90/400325590.db2.gz AUMDZKNMYBGYRU-LBPRGKRZSA-N 1 2 317.345 3.037 20 5 DGBDLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610943619 400325596 /nfs/dbraw/zinc/32/55/96/400325596.db2.gz AUMDZKNMYBGYRU-LBPRGKRZSA-N 1 2 317.345 3.037 20 5 DGBDLO Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])s1 ZINC000596110360 400319656 /nfs/dbraw/zinc/31/96/56/400319656.db2.gz MFFGXZKFXMIEHO-UHFFFAOYSA-N 1 2 320.296 3.336 20 5 DGBDLO Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000589686389 400320591 /nfs/dbraw/zinc/32/05/91/400320591.db2.gz QYXOJNJITZURLV-LBPRGKRZSA-N 1 2 304.325 3.080 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595782914 400257965 /nfs/dbraw/zinc/25/79/65/400257965.db2.gz JWRVMGHNJAASIQ-QGZVFWFLSA-N 1 2 320.389 3.082 20 5 DGBDLO Cc1n[nH]c(C)c1CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596257994 400363700 /nfs/dbraw/zinc/36/37/00/400363700.db2.gz FNIXBJYHIHBPTP-UHFFFAOYSA-N 1 2 311.345 3.138 20 5 DGBDLO C[C@H](c1ccco1)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254338 400364774 /nfs/dbraw/zinc/36/47/74/400364774.db2.gz VYNVLWMGOBNTSF-LLVKDONJSA-N 1 2 318.329 3.152 20 5 DGBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254338 400364779 /nfs/dbraw/zinc/36/47/79/400364779.db2.gz VYNVLWMGOBNTSF-LLVKDONJSA-N 1 2 318.329 3.152 20 5 DGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611561516 400422348 /nfs/dbraw/zinc/42/23/48/400422348.db2.gz UUQWAXIMZXTRFZ-ONGXEEELSA-N 1 2 318.295 3.463 20 5 DGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611561516 400422351 /nfs/dbraw/zinc/42/23/51/400422351.db2.gz UUQWAXIMZXTRFZ-ONGXEEELSA-N 1 2 318.295 3.463 20 5 DGBDLO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590688601 400416567 /nfs/dbraw/zinc/41/65/67/400416567.db2.gz UHKBOUXFNXNKIW-HNNXBMFYSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC000590779414 400434538 /nfs/dbraw/zinc/43/45/38/400434538.db2.gz QAVWGPQOFCACMD-JTQLQIEISA-N 1 2 308.769 3.141 20 5 DGBDLO Cc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)nc1 ZINC000590754908 400428428 /nfs/dbraw/zinc/42/84/28/400428428.db2.gz SPAMXWDVWNKZCL-UHFFFAOYSA-N 1 2 312.329 3.071 20 5 DGBDLO Cc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)nc1 ZINC000590754908 400428431 /nfs/dbraw/zinc/42/84/31/400428431.db2.gz SPAMXWDVWNKZCL-UHFFFAOYSA-N 1 2 312.329 3.071 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC(O)(C3CC3)C3CC3)c2c1 ZINC000596492730 400429215 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O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000591145005 400492812 /nfs/dbraw/zinc/49/28/12/400492812.db2.gz KHFJZPGYUQGKGG-OAHLLOKOSA-N 1 2 323.356 3.181 20 5 DGBDLO COCC1(C)C[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602688091 400539397 /nfs/dbraw/zinc/53/93/97/400539397.db2.gz KMPBRZVXKHSFGY-UHFFFAOYSA-N 1 2 318.295 3.082 20 5 DGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CC(C(F)F)C1 ZINC000602689590 400539423 /nfs/dbraw/zinc/53/94/23/400539423.db2.gz YDROYLMFOHJUIM-UHFFFAOYSA-N 1 2 310.222 3.311 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CCO)c1ccccc1F ZINC000592161112 400616978 /nfs/dbraw/zinc/61/69/78/400616978.db2.gz NZHRKMBYMXZASP-HNNXBMFYSA-N 1 2 322.311 3.086 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592194478 400621979 /nfs/dbraw/zinc/62/19/79/400621979.db2.gz PDYBBOXXRCHPOO-ZDUSSCGKSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592194478 400621983 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CO[C@@H]1CCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599062906 400944210 /nfs/dbraw/zinc/94/42/10/400944210.db2.gz SPRNSPGDURAOIF-IUODEOHRSA-N 1 2 301.346 3.370 20 5 DGBDLO CCC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599065869 400946730 /nfs/dbraw/zinc/94/67/30/400946730.db2.gz SIHGJICXDRBWNO-CYBMUJFWSA-N 1 2 301.346 3.148 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@]2(C1)CCCOC2 ZINC000599074713 400952595 /nfs/dbraw/zinc/95/25/95/400952595.db2.gz VPLUIDJMPQSKBP-QGZVFWFLSA-N 1 2 313.357 3.150 20 5 DGBDLO Cc1cc([N+](=O)[O-])cnc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000080970271 401009671 /nfs/dbraw/zinc/00/96/71/401009671.db2.gz IVDFVSCXBQDQJQ-UHFFFAOYSA-N 1 2 311.345 3.219 20 5 DGBDLO CC(C)[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCO1 ZINC000599085815 400955755 /nfs/dbraw/zinc/95/57/55/400955755.db2.gz FOLZFCMFVGBRLF-INIZCTEOSA-N 1 2 315.373 3.394 20 5 DGBDLO CC[C@H](C)C[C@@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599094361 400958204 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432413382 /nfs/dbraw/zinc/41/33/82/432413382.db2.gz OAKXUBAYGYDJIU-WDEREUQCSA-N 1 2 303.366 3.248 20 5 DGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000263640847 432560390 /nfs/dbraw/zinc/56/03/90/432560390.db2.gz BEWPONAVZISPRO-ZDUSSCGKSA-N 1 2 315.333 3.077 20 5 DGBDLO C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185688212 432524577 /nfs/dbraw/zinc/52/45/77/432524577.db2.gz DKYZCMNMGWLTQG-KDOFPFPSSA-N 1 2 313.401 3.376 20 5 DGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1csc([N+](=O)[O-])c1 ZINC000195176116 432611363 /nfs/dbraw/zinc/61/13/63/432611363.db2.gz YCOCBLQUIODZCK-UHFFFAOYSA-N 1 2 314.326 3.299 20 5 DGBDLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186412303 432593118 /nfs/dbraw/zinc/59/31/18/432593118.db2.gz JVJLWOSNVBIRBC-DZGCQCFKSA-N 1 2 322.405 3.093 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000274261465 432644398 /nfs/dbraw/zinc/64/43/98/432644398.db2.gz UWJQFFPDHYLPAK-NXEZZACHSA-N 1 2 306.391 3.475 20 5 DGBDLO Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000268272857 432859769 /nfs/dbraw/zinc/85/97/69/432859769.db2.gz OZPZZUPAXJHVLO-LRDDRELGSA-N 1 2 300.362 3.187 20 5 DGBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000277454775 432851860 /nfs/dbraw/zinc/85/18/60/432851860.db2.gz PRRMCOWILVSEGO-WDEREUQCSA-N 1 2 303.366 3.077 20 5 DGBDLO CCC[C@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000296384246 432902686 /nfs/dbraw/zinc/90/26/86/432902686.db2.gz JTAHTHRFHKRVCA-AWEZNQCLSA-N 1 2 317.393 3.467 20 5 DGBDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000341257366 433008012 /nfs/dbraw/zinc/00/80/12/433008012.db2.gz VESGCEVOVGMBQN-UHFFFAOYSA-N 1 2 318.377 3.435 20 5 DGBDLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000453316314 433087473 /nfs/dbraw/zinc/08/74/73/433087473.db2.gz KEJSSJUUMQUMJW-CQSZACIVSA-N 1 2 320.780 3.149 20 5 DGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CC(CC(F)F)C2)c1 ZINC000425365506 433202590 /nfs/dbraw/zinc/20/25/90/433202590.db2.gz LCJRVOBSXROOSF-UHFFFAOYSA-N 1 2 322.258 3.283 20 5 DGBDLO C[C@@H]1C[C@@H](CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413236165 433266757 /nfs/dbraw/zinc/26/67/57/433266757.db2.gz QIMSERVZLIPIEW-OLZOCXBDSA-N 1 2 315.373 3.760 20 5 DGBDLO CCC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447801480 433285087 /nfs/dbraw/zinc/28/50/87/433285087.db2.gz CHGNGEOAEYXITO-UHFFFAOYSA-N 1 2 319.405 3.029 20 5 DGBDLO COc1ccc(C2([NH2+]Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000339070257 433342039 /nfs/dbraw/zinc/34/20/39/433342039.db2.gz ZWTDGXRHXGFNEJ-UHFFFAOYSA-N 1 2 314.341 3.088 20 5 DGBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000339133883 433384467 /nfs/dbraw/zinc/38/44/67/433384467.db2.gz NOSXGKRMCAIEPI-CQSZACIVSA-N 1 2 320.389 3.105 20 5 DGBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000339133883 433384474 /nfs/dbraw/zinc/38/44/74/433384474.db2.gz NOSXGKRMCAIEPI-CQSZACIVSA-N 1 2 320.389 3.105 20 5 DGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339140041 433386807 /nfs/dbraw/zinc/38/68/07/433386807.db2.gz JWCOZJYWMYKXCQ-KCJUWKMLSA-N 1 2 304.268 3.073 20 5 DGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339140041 433386815 /nfs/dbraw/zinc/38/68/15/433386815.db2.gz JWCOZJYWMYKXCQ-KCJUWKMLSA-N 1 2 304.268 3.073 20 5 DGBDLO COc1cc(CNc2[nH+]cccc2C(C)C)cc([N+](=O)[O-])c1O ZINC000341980093 433391313 /nfs/dbraw/zinc/39/13/13/433391313.db2.gz GGZKXTHPDCQSSY-UHFFFAOYSA-N 1 2 317.345 3.440 20 5 DGBDLO CCc1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000414373417 433582020 /nfs/dbraw/zinc/58/20/20/433582020.db2.gz RZWQVFJIVNNNQF-UHFFFAOYSA-N 1 2 312.373 3.112 20 5 DGBDLO CCc1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000414373417 433582029 /nfs/dbraw/zinc/58/20/29/433582029.db2.gz RZWQVFJIVNNNQF-UHFFFAOYSA-N 1 2 312.373 3.112 20 5 DGBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000342344044 433625507 /nfs/dbraw/zinc/62/55/07/433625507.db2.gz SLPJZWOYFXTHAK-WDEREUQCSA-N 1 2 304.350 3.260 20 5 DGBDLO Cc1cccc2[nH+]c(CNc3ncc(Cl)cc3[N+](=O)[O-])cn21 ZINC000301731902 433700473 /nfs/dbraw/zinc/70/04/73/433700473.db2.gz FAFMRNHSRCIKAS-UHFFFAOYSA-N 1 2 317.736 3.211 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1OC(F)F ZINC000371595697 293214920 /nfs/dbraw/zinc/21/49/20/293214920.db2.gz HLWGIANANXBVOD-LLVKDONJSA-N 1 2 324.287 3.261 20 5 DGBDLO C[C@@H]1CSCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285344181 433924080 /nfs/dbraw/zinc/92/40/80/433924080.db2.gz PLDFAGQVGAUARI-VIFPVBQESA-N 1 2 302.346 3.058 20 5 DGBDLO C[C@@H]1CSCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285344181 433924096 /nfs/dbraw/zinc/92/40/96/433924096.db2.gz PLDFAGQVGAUARI-VIFPVBQESA-N 1 2 302.346 3.058 20 5 DGBDLO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000363449231 434062412 /nfs/dbraw/zinc/06/24/12/434062412.db2.gz JNUMSSUKPGJLLC-AWEZNQCLSA-N 1 2 318.764 3.242 20 5 DGBDLO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000363449231 434062421 /nfs/dbraw/zinc/06/24/21/434062421.db2.gz JNUMSSUKPGJLLC-AWEZNQCLSA-N 1 2 318.764 3.242 20 5 DGBDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363449707 434059289 /nfs/dbraw/zinc/05/92/89/434059289.db2.gz MOYOTWMKQPNTCP-FZMZJTMJSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363449707 434059291 /nfs/dbraw/zinc/05/92/91/434059291.db2.gz MOYOTWMKQPNTCP-FZMZJTMJSA-N 1 2 318.352 3.051 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000378232282 434118065 /nfs/dbraw/zinc/11/80/65/434118065.db2.gz LBKQYMHJHPXHEZ-CYBMUJFWSA-N 1 2 300.362 3.398 20 5 DGBDLO COc1ccncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000287625102 434412626 /nfs/dbraw/zinc/41/26/26/434412626.db2.gz FKXGGDBPHSPPLM-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000287625102 434412633 /nfs/dbraw/zinc/41/26/33/434412633.db2.gz FKXGGDBPHSPPLM-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO CCOc1cc(N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000450825817 434425243 /nfs/dbraw/zinc/42/52/43/434425243.db2.gz FMBFPSPEZIBWMX-JQWIXIFHSA-N 1 2 302.334 3.308 20 5 DGBDLO Cc1cc(NCc2cn3ccccc3[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000359833567 434440785 /nfs/dbraw/zinc/44/07/85/434440785.db2.gz AMINXIPPPZKJJO-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO CCC(CC)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000522045069 294901044 /nfs/dbraw/zinc/90/10/44/294901044.db2.gz ARKIWLAQJXNZGW-UHFFFAOYSA-N 1 2 300.362 3.383 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccon1 ZINC000349234945 434643372 /nfs/dbraw/zinc/64/33/72/434643372.db2.gz FHKHLYAOVZOREI-LLVKDONJSA-N 1 2 305.334 3.221 20 5 DGBDLO CC[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000440304262 434692885 /nfs/dbraw/zinc/69/28/85/434692885.db2.gz MBCRRWZCARFILP-CYBMUJFWSA-N 1 2 316.361 3.322 20 5 DGBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000535566411 435337150 /nfs/dbraw/zinc/33/71/50/435337150.db2.gz IXUXHMZGQOFVES-KRWDZBQOSA-N 1 2 322.405 3.383 20 5 DGBDLO CC[C@@]1(C)COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000535566411 435337153 /nfs/dbraw/zinc/33/71/53/435337153.db2.gz IXUXHMZGQOFVES-KRWDZBQOSA-N 1 2 322.405 3.383 20 5 DGBDLO Cn1ccnc1[C@@H]([NH2+]CCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000296025571 302991771 /nfs/dbraw/zinc/99/17/71/302991771.db2.gz MSNZJXRNSLFKNW-ZDUSSCGKSA-N 1 2 324.331 3.053 20 5 DGBDLO CC1(C)C[C@@H](O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000570686240 315667268 /nfs/dbraw/zinc/66/72/68/315667268.db2.gz BHHWLFNSHCLMDD-AWEZNQCLSA-N 1 2 315.373 3.130 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000181368684 323252919 /nfs/dbraw/zinc/25/29/19/323252919.db2.gz JMHIPIPAPLBVFB-GFCCVEGCSA-N 1 2 324.340 3.496 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183846685 323349400 /nfs/dbraw/zinc/34/94/00/323349400.db2.gz WGDUSYLUVVVCKS-JTQLQIEISA-N 1 2 303.293 3.180 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCO[C@@H]3CCCCO3)c2c1 ZINC000413309658 534885043 /nfs/dbraw/zinc/88/50/43/534885043.db2.gz MDHJJMCZWLXWNK-OAHLLOKOSA-N 1 2 317.345 3.098 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCCC[C@@H]3O)c2c1 ZINC000413153126 534885388 /nfs/dbraw/zinc/88/53/88/534885388.db2.gz JYCFZSDEDUUICP-DOMZBBRYSA-N 1 2 301.346 3.106 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000292367095 534887141 /nfs/dbraw/zinc/88/71/41/534887141.db2.gz YZBQUVIKDPKHAM-HNNXBMFYSA-N 1 2 315.377 3.124 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cc1[N+](=O)[O-] ZINC000433044670 528094218 /nfs/dbraw/zinc/09/42/18/528094218.db2.gz BQMDAQRGDHFDRP-XMHCIUCPSA-N 1 2 324.446 3.061 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cc1[N+](=O)[O-] ZINC000433044670 528094223 /nfs/dbraw/zinc/09/42/23/528094223.db2.gz BQMDAQRGDHFDRP-XMHCIUCPSA-N 1 2 324.446 3.061 20 5 DGBDLO CC[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430211488 528848111 /nfs/dbraw/zinc/84/81/11/528848111.db2.gz AKQNZTDVFXTHTL-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CC[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430211488 528848112 /nfs/dbraw/zinc/84/81/12/528848112.db2.gz AKQNZTDVFXTHTL-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO Cc1ccc([C@@H]2CCCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000742156194 574983042 /nfs/dbraw/zinc/98/30/42/574983042.db2.gz FQGKWOYTRGXKRS-INIZCTEOSA-N 1 2 300.362 3.284 20 5 DGBDLO Cc1ccc([C@@H]2CCCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000742156194 574983043 /nfs/dbraw/zinc/98/30/43/574983043.db2.gz FQGKWOYTRGXKRS-INIZCTEOSA-N 1 2 300.362 3.284 20 5 DGBDLO CC(C)C[N@@H+](Cc1ccccc1F)Cn1cc([N+](=O)[O-])cn1 ZINC000746061959 575429566 /nfs/dbraw/zinc/42/95/66/575429566.db2.gz QABPQUQEWNTUQZ-UHFFFAOYSA-N 1 2 306.341 3.046 20 5 DGBDLO CC(C)C[N@H+](Cc1ccccc1F)Cn1cc([N+](=O)[O-])cn1 ZINC000746061959 575429568 /nfs/dbraw/zinc/42/95/68/575429568.db2.gz QABPQUQEWNTUQZ-UHFFFAOYSA-N 1 2 306.341 3.046 20 5 DGBDLO NC(Cc1cccs1)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747836496 575545020 /nfs/dbraw/zinc/54/50/20/575545020.db2.gz ZIALULWIROGKOJ-UHFFFAOYSA-N 1 2 309.322 3.037 20 5 DGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1C2CCC1CC2 ZINC000748815209 575608885 /nfs/dbraw/zinc/60/88/85/575608885.db2.gz LWVVRLANNPUSFL-KPPDAEKUSA-N 1 2 323.780 3.202 20 5 DGBDLO CCNc1cc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc[nH+]1 ZINC000894871113 618484232 /nfs/dbraw/zinc/48/42/32/618484232.db2.gz PKQGTWRDAAJSGN-UHFFFAOYSA-N 1 2 314.345 3.236 20 5 DGBDLO O=[N+]([O-])c1sccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895347210 618599524 /nfs/dbraw/zinc/59/95/24/618599524.db2.gz RLRZHOAMOLXTQQ-UHFFFAOYSA-N 1 2 304.375 3.132 20 5 DGBDLO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(F)CC1 ZINC000895548709 618796114 /nfs/dbraw/zinc/79/61/14/618796114.db2.gz BNACOCXOYHBLAL-UHFFFAOYSA-N 1 2 317.158 3.291 20 5 DGBDLO COc1cc([C@@H](C)[NH2+]Cc2csc(C)n2)cc([N+](=O)[O-])c1 ZINC000903074158 619715811 /nfs/dbraw/zinc/71/58/11/619715811.db2.gz MNBXEGNWTDDDGV-SECBINFHSA-N 1 2 307.375 3.219 20 5 DGBDLO Cc1c([C@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000903332237 619762683 /nfs/dbraw/zinc/76/26/83/619762683.db2.gz MBRAAFFWSWJWHK-BLLLJJGKSA-N 1 2 312.373 3.495 20 5 DGBDLO Cc1cc(C)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000906064766 620054636 /nfs/dbraw/zinc/05/46/36/620054636.db2.gz OSVDYRHMWWCHKW-UHFFFAOYSA-N 1 2 313.357 3.187 20 5 DGBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000754308801 621502295 /nfs/dbraw/zinc/50/22/95/621502295.db2.gz OWBXYBYIVILVAQ-QXMHVHEDSA-N 1 2 322.324 3.285 20 5 DGBDLO C/C(=C\c1ccccc1)C[N@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000754858116 621537990 /nfs/dbraw/zinc/53/79/90/621537990.db2.gz QUNNNFPREOSJSH-UKTHLTGXSA-N 1 2 300.362 3.093 20 5 DGBDLO C/C(=C\c1ccccc1)C[N@@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000754858116 621537992 /nfs/dbraw/zinc/53/79/92/621537992.db2.gz QUNNNFPREOSJSH-UKTHLTGXSA-N 1 2 300.362 3.093 20 5 DGBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)Cn1cc[nH+]c1 ZINC000865451200 621924706 /nfs/dbraw/zinc/92/47/06/621924706.db2.gz KKSABUMSGCIVFM-JTQLQIEISA-N 1 2 310.304 3.477 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC(n2cc[nH+]c2)C1 ZINC000865609996 621961586 /nfs/dbraw/zinc/96/15/86/621961586.db2.gz YDKJNYUSBCTMJZ-UHFFFAOYSA-N 1 2 313.144 3.159 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)nc2c1 ZINC000761040430 621980978 /nfs/dbraw/zinc/98/09/78/621980978.db2.gz HROFGHDFIJBBOG-MRVPVSSYSA-N 1 2 315.251 3.120 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)nc2c1 ZINC000761040430 621980981 /nfs/dbraw/zinc/98/09/81/621980981.db2.gz HROFGHDFIJBBOG-MRVPVSSYSA-N 1 2 315.251 3.120 20 5 DGBDLO CC(C)c1nnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[nH]1 ZINC000761526111 622014874 /nfs/dbraw/zinc/01/48/74/622014874.db2.gz HBTOPVOLEUPCCD-VIFPVBQESA-N 1 2 323.784 3.341 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc3c(s2)CCC3)c(Cl)c1 ZINC000767193951 622382067 /nfs/dbraw/zinc/38/20/67/622382067.db2.gz ZNPMOYTXCNQAQV-UHFFFAOYSA-N 1 2 323.805 3.483 20 5 DGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2[nH+]ccn21 ZINC000770058257 622596252 /nfs/dbraw/zinc/59/62/52/622596252.db2.gz OTCIDQMKTQWTOG-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872024123 622758058 /nfs/dbraw/zinc/75/80/58/622758058.db2.gz NMBWHIVDDACAOL-SNVBAGLBSA-N 1 2 318.304 3.313 20 5 DGBDLO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872041621 622769256 /nfs/dbraw/zinc/76/92/56/622769256.db2.gz IXMXIXIHJBRBPG-UDTVLSCZSA-N 1 2 316.332 3.043 20 5 DGBDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000873114010 623038609 /nfs/dbraw/zinc/03/86/09/623038609.db2.gz RQGXLSNUUHZGJQ-ZYHUDNBSSA-N 1 2 317.393 3.386 20 5 DGBDLO COc1ccnc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1F ZINC000873138305 623047042 /nfs/dbraw/zinc/04/70/42/623047042.db2.gz PUGSHKMEVIZYFZ-UHFFFAOYSA-N 1 2 319.336 3.044 20 5 DGBDLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000124789279 623230812 /nfs/dbraw/zinc/23/08/12/623230812.db2.gz JRXAEGBNAQKDTP-CYBMUJFWSA-N 1 2 323.356 3.026 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000781354225 624059773 /nfs/dbraw/zinc/05/97/73/624059773.db2.gz PANAHWPFYCHUCU-LLVKDONJSA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000781354225 624059780 /nfs/dbraw/zinc/05/97/80/624059780.db2.gz PANAHWPFYCHUCU-LLVKDONJSA-N 1 2 320.723 3.452 20 5 DGBDLO CC1=CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000797822569 626171286 /nfs/dbraw/zinc/17/12/86/626171286.db2.gz QGGIENUBVDKMFF-UHFFFAOYSA-N 1 2 306.753 3.207 20 5 DGBDLO CC1=CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000797822569 626171288 /nfs/dbraw/zinc/17/12/88/626171288.db2.gz QGGIENUBVDKMFF-UHFFFAOYSA-N 1 2 306.753 3.207 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000804571566 626693832 /nfs/dbraw/zinc/69/38/32/626693832.db2.gz MHRFCXYVYJAGAQ-GFCCVEGCSA-N 1 2 318.764 3.334 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000840148289 626867382 /nfs/dbraw/zinc/86/73/82/626867382.db2.gz CDYYUIFMSKPGMF-OAHLLOKOSA-N 1 2 318.352 3.342 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000840148289 626867385 /nfs/dbraw/zinc/86/73/85/626867385.db2.gz CDYYUIFMSKPGMF-OAHLLOKOSA-N 1 2 318.352 3.342 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000885935696 627064232 /nfs/dbraw/zinc/06/42/32/627064232.db2.gz PLEYTTDSOQSZQY-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000885935696 627064236 /nfs/dbraw/zinc/06/42/36/627064236.db2.gz PLEYTTDSOQSZQY-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO Cc1nc(C(C)(C)[NH2+]Cc2cccnc2[N+](=O)[O-])sc1C ZINC000886072862 627098783 /nfs/dbraw/zinc/09/87/83/627098783.db2.gz NTJRZWWEIYNIQC-UHFFFAOYSA-N 1 2 306.391 3.088 20 5 DGBDLO Cn1c(Cl)cnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000813791736 627512385 /nfs/dbraw/zinc/51/23/85/627512385.db2.gz JSXHVELWVDNASE-UHFFFAOYSA-N 1 2 308.769 3.007 20 5 DGBDLO C[C@@H]1CCOCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815085342 627624669 /nfs/dbraw/zinc/62/46/69/627624669.db2.gz SNKUJCCUTWHTJI-SNVBAGLBSA-N 1 2 318.295 3.224 20 5 DGBDLO C[C@@H]1CCOCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815085342 627624670 /nfs/dbraw/zinc/62/46/70/627624670.db2.gz SNKUJCCUTWHTJI-SNVBAGLBSA-N 1 2 318.295 3.224 20 5 DGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H]1C ZINC000072874853 656438419 /nfs/dbraw/zinc/43/84/19/656438419.db2.gz VLYWWKZVZYQALW-ZJUUUORDSA-N 1 2 311.769 3.060 20 5 DGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H]1C ZINC000072874853 656438420 /nfs/dbraw/zinc/43/84/20/656438420.db2.gz VLYWWKZVZYQALW-ZJUUUORDSA-N 1 2 311.769 3.060 20 5 DGBDLO CC(C)c1nsc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000932177594 661544542 /nfs/dbraw/zinc/54/45/42/661544542.db2.gz CQCWYXSEAMFQMD-SNVBAGLBSA-N 1 2 306.391 3.421 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](c3ccccn3)C3CC3)nc2c1 ZINC000932376197 661563544 /nfs/dbraw/zinc/56/35/44/661563544.db2.gz AEFSKAVVPXOFFY-KRWDZBQOSA-N 1 2 324.340 3.372 20 5 DGBDLO CC(C)C[N@H+](Cc1ccccn1)Cc1cccnc1[N+](=O)[O-] ZINC000932448115 661570907 /nfs/dbraw/zinc/57/09/07/661570907.db2.gz XOPRDFSTFSVSEF-UHFFFAOYSA-N 1 2 300.362 3.043 20 5 DGBDLO CC(C)C[N@@H+](Cc1ccccn1)Cc1cccnc1[N+](=O)[O-] ZINC000932448115 661570908 /nfs/dbraw/zinc/57/09/08/661570908.db2.gz XOPRDFSTFSVSEF-UHFFFAOYSA-N 1 2 300.362 3.043 20 5 DGBDLO CSCC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000932587431 661583455 /nfs/dbraw/zinc/58/34/55/661583455.db2.gz KKDSIWJCQZZMKX-UHFFFAOYSA-N 1 2 316.373 3.448 20 5 DGBDLO CCn1c[nH+]c2c1CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000933258610 661626380 /nfs/dbraw/zinc/62/63/80/661626380.db2.gz RSUYHHUTZJTNSB-UHFFFAOYSA-N 1 2 320.780 3.023 20 5 DGBDLO CC(C)(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001344123747 1179381532 /nfs/dbraw/zinc/38/15/32/1179381532.db2.gz ASXXZPOHGYSQMR-UHFFFAOYSA-N 1 2 323.736 3.037 20 5 DGBDLO C[C@H](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001352648480 1180375216 /nfs/dbraw/zinc/37/52/16/1180375216.db2.gz QPLMFUMUHQVRDO-SECBINFHSA-N 1 2 308.725 3.035 20 5 DGBDLO CC[N@H+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC001458259634 1182508961 /nfs/dbraw/zinc/50/89/61/1182508961.db2.gz DEFDWFVPDZWJCO-SECBINFHSA-N 1 2 318.204 3.432 20 5 DGBDLO CC[N@@H+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC001458259634 1182508959 /nfs/dbraw/zinc/50/89/59/1182508959.db2.gz DEFDWFVPDZWJCO-SECBINFHSA-N 1 2 318.204 3.432 20 5 DGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001458638157 1182545823 /nfs/dbraw/zinc/54/58/23/1182545823.db2.gz HRHSRAXCJFBPCN-UHFFFAOYSA-N 1 2 323.356 3.357 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2noc3cc(F)ccc32)c(F)c1 ZINC001474681209 1183960914 /nfs/dbraw/zinc/96/09/14/1183960914.db2.gz ZEJJZLCRXADEDA-UHFFFAOYSA-N 1 2 319.267 3.304 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)Oc3cccc([N+](=O)[O-])c3C)ccn12 ZINC001517151992 1186803595 /nfs/dbraw/zinc/80/35/95/1186803595.db2.gz GZKARMANJRZMBT-UHFFFAOYSA-N 1 2 311.297 3.079 20 5 DGBDLO CC(C)(C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1[N+](=O)[O-] ZINC001529432485 1187558864 /nfs/dbraw/zinc/55/88/64/1187558864.db2.gz LTUUULKZTHXRCH-UHFFFAOYSA-N 1 2 324.340 3.159 20 5 DGBDLO CC(C)c1[nH]cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC001558561316 1189134319 /nfs/dbraw/zinc/13/43/19/1189134319.db2.gz PCLYFZKVBOGBNZ-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO CC(C)c1[nH]c(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC001558561316 1189134322 /nfs/dbraw/zinc/13/43/22/1189134322.db2.gz PCLYFZKVBOGBNZ-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO Cc1c(C[NH2+][C@@H](CO)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC001620668818 1193788648 /nfs/dbraw/zinc/78/86/48/1193788648.db2.gz GPMSAAYPAQPENA-HNNXBMFYSA-N 1 2 322.311 3.005 20 5 DGBDLO Cc1cc(C)c(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c[nH+]1 ZINC001638019937 1194697948 /nfs/dbraw/zinc/69/79/48/1194697948.db2.gz GUHYMNNOCNSRGB-UHFFFAOYSA-N 1 2 324.340 3.018 20 5 DGBDLO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001648280234 1195289056 /nfs/dbraw/zinc/28/90/56/1195289056.db2.gz HWDQIDDLHSKGGS-ZDUSSCGKSA-N 1 2 323.356 3.026 20 5 DGBDLO O=[N+]([O-])c1cccnc1N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001651360349 1195450464 /nfs/dbraw/zinc/45/04/64/1195450464.db2.gz AUPVERPFWKERKR-AWEZNQCLSA-N 1 2 309.329 3.040 20 5 DGBDLO Cc1cc(C)c(CNc2ncnc3cccc([N+](=O)[O-])c32)c[nH+]1 ZINC001651942864 1195525910 /nfs/dbraw/zinc/52/59/10/1195525910.db2.gz ULBXDJIAZMSTTJ-UHFFFAOYSA-N 1 2 309.329 3.162 20 5 DGBDLO CCC1(CC)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC001658538700 1196270506 /nfs/dbraw/zinc/27/05/06/1196270506.db2.gz HXRVBYKSPSPMRP-IUIKQTSFSA-N 1 2 322.405 3.230 20 5 DGBDLO Cc1c(C[NH2+]Cc2nc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC001659372979 1196376375 /nfs/dbraw/zinc/37/63/75/1196376375.db2.gz LVSCQMKHECXZKC-UHFFFAOYSA-N 1 2 324.340 3.243 20 5 DGBDLO C[C@H]([NH2+]CC(=O)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC001660031241 1196439449 /nfs/dbraw/zinc/43/94/49/1196439449.db2.gz VAIXBAAKVGCGBB-NSHDSACASA-N 1 2 302.305 3.267 20 5 DGBDLO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC001169933580 1081679320 /nfs/dbraw/zinc/67/93/20/1081679320.db2.gz QMMHTGFZWIDYIO-ZDUSSCGKSA-N 1 2 308.378 3.067 20 5 DGBDLO CCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC001169933580 1081679325 /nfs/dbraw/zinc/67/93/25/1081679325.db2.gz QMMHTGFZWIDYIO-ZDUSSCGKSA-N 1 2 308.378 3.067 20 5 DGBDLO O=[N+]([O-])c1cccc2ccc(N3CCC(n4cc[nH+]c4)CC3)nc21 ZINC001167124122 1081728885 /nfs/dbraw/zinc/72/88/85/1081728885.db2.gz WEVNDSJBIRNOHZ-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2c(F)nccc2Cl)cc1[N+](=O)[O-] ZINC001207150617 1082135274 /nfs/dbraw/zinc/13/52/74/1082135274.db2.gz JMLMDRFLHKQJNZ-UHFFFAOYSA-N 1 2 309.728 3.381 20 5 DGBDLO Nc1cc(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001167617644 1082610790 /nfs/dbraw/zinc/61/07/90/1082610790.db2.gz SWIUMHRBRDEFPG-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO Cc1cnc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)c([N+](=O)[O-])c1 ZINC001160683624 1088917895 /nfs/dbraw/zinc/91/78/95/1088917895.db2.gz QFLYDRWGFUNUIO-LBPRGKRZSA-N 1 2 311.345 3.427 20 5 DGBDLO Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001156775842 1089690538 /nfs/dbraw/zinc/69/05/38/1089690538.db2.gz ONTRTMNAGNYMEQ-UHFFFAOYSA-N 1 2 323.356 3.120 20 5 DGBDLO O=[N+]([O-])c1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cn1 ZINC001203561447 1090757256 /nfs/dbraw/zinc/75/72/56/1090757256.db2.gz WRBPYSHHEOGDNL-UHFFFAOYSA-N 1 2 300.705 3.357 20 5 DGBDLO COc1cc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC001211290588 1093445808 /nfs/dbraw/zinc/44/58/08/1093445808.db2.gz HGFURLXVKKUUFB-UHFFFAOYSA-N 1 2 318.289 3.267 20 5 DGBDLO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC2(F)F)c2ccccc21 ZINC001218007999 1094556288 /nfs/dbraw/zinc/55/62/88/1094556288.db2.gz UAAHADKDTJBGNF-CQSZACIVSA-N 1 2 308.284 3.124 20 5 DGBDLO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC2(F)F)c2ccccc21 ZINC001218007997 1094556303 /nfs/dbraw/zinc/55/63/03/1094556303.db2.gz UAAHADKDTJBGNF-AWEZNQCLSA-N 1 2 308.284 3.124 20 5 DGBDLO FC1(F)C[NH2+]CC[C@@H]1Oc1ccnc2c1ccc1cccnc12 ZINC001218011437 1094557337 /nfs/dbraw/zinc/55/73/37/1094557337.db2.gz HPLAEMRQMCEVBS-AWEZNQCLSA-N 1 2 315.323 3.159 20 5 DGBDLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214848 1097366523 /nfs/dbraw/zinc/36/65/23/1097366523.db2.gz QVUITUZBUFYPIK-CJNGLKHVSA-N 1 2 322.405 3.093 20 5 DGBDLO O=[N+]([O-])c1ccc(F)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001175736293 1098149926 /nfs/dbraw/zinc/14/99/26/1098149926.db2.gz SLGUBMCVHBKKNG-UHFFFAOYSA-N 1 2 302.309 3.473 20 5 DGBDLO COc1cc2[nH]c(Cc3ccc([N+](=O)[O-])cc3)[nH+]c2cc1OC ZINC001250607275 1105546481 /nfs/dbraw/zinc/54/64/81/1105546481.db2.gz UBERKDYLDGVUGI-UHFFFAOYSA-N 1 2 313.313 3.079 20 5 DGBDLO CCOC(=O)C[C@H](O)CNc1ccc2[nH+]c3ccccc3cc2c1 ZINC001253804104 1105989048 /nfs/dbraw/zinc/98/90/48/1105989048.db2.gz MMUJSOBTMLWRPR-INIZCTEOSA-N 1 2 324.380 3.114 20 5 DGBDLO CN(CCCNc1c(F)cc([N+](=O)[O-])cc1F)c1cccc[nH+]1 ZINC001307194001 1111277697 /nfs/dbraw/zinc/27/76/97/1111277697.db2.gz OQLMPKPJZDAERG-UHFFFAOYSA-N 1 2 322.315 3.206 20 5 DGBDLO CNc1cc(CNc2nc3ccccc3cc2[N+](=O)[O-])cc[nH+]1 ZINC001307214462 1111279711 /nfs/dbraw/zinc/27/97/11/1111279711.db2.gz FZSCRNYDHKWPKX-UHFFFAOYSA-N 1 2 309.329 3.192 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(F)cnc2Cl)c(F)c1 ZINC001308783070 1111475061 /nfs/dbraw/zinc/47/50/61/1111475061.db2.gz TYRZWZSVBWNUJM-UHFFFAOYSA-N 1 2 313.691 3.211 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2ccoc2C)c([N+](=O)[O-])cc1OC ZINC000092438607 185318340 /nfs/dbraw/zinc/31/83/40/185318340.db2.gz APZDOOFNSULBRC-UHFFFAOYSA-N 1 2 320.345 3.145 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2ccoc2C)c([N+](=O)[O-])cc1OC ZINC000092438607 185318341 /nfs/dbraw/zinc/31/83/41/185318341.db2.gz APZDOOFNSULBRC-UHFFFAOYSA-N 1 2 320.345 3.145 20 5 DGBDLO CN(C[C@H]1CCCC[C@@H]1O)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413245369 529964276 /nfs/dbraw/zinc/96/42/76/529964276.db2.gz XSDVFIIFPZHPPW-CJNGLKHVSA-N 1 2 315.373 3.130 20 5 DGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000174479254 198339416 /nfs/dbraw/zinc/33/94/16/198339416.db2.gz LZBYZSJKNRKSSQ-HNNXBMFYSA-N 1 2 304.346 3.228 20 5 DGBDLO CCc1nn(C)cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179695475 432067441 /nfs/dbraw/zinc/06/74/41/432067441.db2.gz MECYRRPLLFQZCM-UHFFFAOYSA-N 1 2 314.389 3.055 20 5 DGBDLO CCc1nn(C)cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179695475 432067442 /nfs/dbraw/zinc/06/74/42/432067442.db2.gz MECYRRPLLFQZCM-UHFFFAOYSA-N 1 2 314.389 3.055 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000180788225 199209609 /nfs/dbraw/zinc/20/96/09/199209609.db2.gz VGKXGHPKWHDUNM-GFCCVEGCSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000180788225 199209611 /nfs/dbraw/zinc/20/96/11/199209611.db2.gz VGKXGHPKWHDUNM-GFCCVEGCSA-N 1 2 301.346 3.191 20 5 DGBDLO CCc1ccc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000276611080 212997295 /nfs/dbraw/zinc/99/72/95/212997295.db2.gz MVGNTXNFVZOGGR-AWEZNQCLSA-N 1 2 316.361 3.007 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000430215073 238071280 /nfs/dbraw/zinc/07/12/80/238071280.db2.gz CXZJVMPMPHLEQG-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000430215073 238071281 /nfs/dbraw/zinc/07/12/81/238071281.db2.gz CXZJVMPMPHLEQG-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000430215060 238071314 /nfs/dbraw/zinc/07/13/14/238071314.db2.gz CWOBFFGSFLCQKI-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000430215060 238071316 /nfs/dbraw/zinc/07/13/16/238071316.db2.gz CWOBFFGSFLCQKI-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000430037332 238065020 /nfs/dbraw/zinc/06/50/20/238065020.db2.gz SHGZMNMDYCUXIZ-UHFFFAOYSA-N 1 2 314.238 3.441 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](C3CC3)C3COC3)o2)cc1 ZINC000449351943 240150416 /nfs/dbraw/zinc/15/04/16/240150416.db2.gz SFMGOSJYOSUSBX-UHFFFAOYSA-N 1 2 314.341 3.218 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](C3CC3)C3COC3)o2)cc1 ZINC000449351943 240150422 /nfs/dbraw/zinc/15/04/22/240150422.db2.gz SFMGOSJYOSUSBX-UHFFFAOYSA-N 1 2 314.341 3.218 20 5 DGBDLO CCO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000451547032 241167780 /nfs/dbraw/zinc/16/77/80/241167780.db2.gz STKAMQVXPLLZPB-MEBBXXQBSA-N 1 2 314.332 3.120 20 5 DGBDLO CCO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000451547032 241167786 /nfs/dbraw/zinc/16/77/86/241167786.db2.gz STKAMQVXPLLZPB-MEBBXXQBSA-N 1 2 314.332 3.120 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc(C2CC2)nc1)C1CC1 ZINC000459291190 243319349 /nfs/dbraw/zinc/31/93/49/243319349.db2.gz CRLGMUARYKAWGQ-UHFFFAOYSA-N 1 2 324.384 3.427 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc(C2CC2)nc1)C1CC1 ZINC000459291190 243319353 /nfs/dbraw/zinc/31/93/53/243319353.db2.gz CRLGMUARYKAWGQ-UHFFFAOYSA-N 1 2 324.384 3.427 20 5 DGBDLO C[N@H+](CCc1ccccn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119558249 284145764 /nfs/dbraw/zinc/14/57/64/284145764.db2.gz QSJXKKQHSVHHQJ-UHFFFAOYSA-N 1 2 305.765 3.318 20 5 DGBDLO C[N@@H+](CCc1ccccn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119558249 284145770 /nfs/dbraw/zinc/14/57/70/284145770.db2.gz QSJXKKQHSVHHQJ-UHFFFAOYSA-N 1 2 305.765 3.318 20 5 DGBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000493690945 246040787 /nfs/dbraw/zinc/04/07/87/246040787.db2.gz LXMARSIFSLESFW-VOTSOKGWSA-N 1 2 320.736 3.117 20 5 DGBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000023991197 182371009 /nfs/dbraw/zinc/37/10/09/182371009.db2.gz PVJQPDKCKACXMV-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000023991197 182371013 /nfs/dbraw/zinc/37/10/13/182371013.db2.gz PVJQPDKCKACXMV-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO Cc1cnc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000273247260 252834871 /nfs/dbraw/zinc/83/48/71/252834871.db2.gz BMMVZAHVSDPYJR-VIFPVBQESA-N 1 2 318.358 3.352 20 5 DGBDLO CC(C)c1nc(N(C)CCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000337816081 253178684 /nfs/dbraw/zinc/17/86/84/253178684.db2.gz ONWVVEUSUYEUFS-UHFFFAOYSA-N 1 2 300.362 3.187 20 5 DGBDLO COc1cc(C[NH2+][C@H](C)c2ccncc2F)c([N+](=O)[O-])cc1F ZINC000338369056 253274470 /nfs/dbraw/zinc/27/44/70/253274470.db2.gz LKIRGLPHOWTRPX-SECBINFHSA-N 1 2 323.299 3.127 20 5 DGBDLO CC[N@H+](Cc1cccc(F)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338920968 253370938 /nfs/dbraw/zinc/37/09/38/253370938.db2.gz RUPFAMQFOPEYKN-UHFFFAOYSA-N 1 2 304.321 3.462 20 5 DGBDLO CC[N@@H+](Cc1cccc(F)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338920968 253370940 /nfs/dbraw/zinc/37/09/40/253370940.db2.gz RUPFAMQFOPEYKN-UHFFFAOYSA-N 1 2 304.321 3.462 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOCC34CC4)o2)cc1 ZINC000338996544 253385915 /nfs/dbraw/zinc/38/59/15/253385915.db2.gz LPFSOVJVGNVURD-UHFFFAOYSA-N 1 2 314.341 3.220 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOCC34CC4)o2)cc1 ZINC000338996544 253385917 /nfs/dbraw/zinc/38/59/17/253385917.db2.gz LPFSOVJVGNVURD-UHFFFAOYSA-N 1 2 314.341 3.220 20 5 DGBDLO CCOC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286461805 219001892 /nfs/dbraw/zinc/00/18/92/219001892.db2.gz ORIIGFYDFLGNKP-LLVKDONJSA-N 1 2 314.332 3.122 20 5 DGBDLO CCOC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286461805 219001895 /nfs/dbraw/zinc/00/18/95/219001895.db2.gz ORIIGFYDFLGNKP-LLVKDONJSA-N 1 2 314.332 3.122 20 5 DGBDLO Cc1[nH]c2ccc(CSc3ccc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000342654504 254026133 /nfs/dbraw/zinc/02/61/33/254026133.db2.gz IMZFPXQFGGMIFE-UHFFFAOYSA-N 1 2 300.343 3.467 20 5 DGBDLO Cc1[nH]c2cc(CSc3ccc([N+](=O)[O-])cn3)ccc2[nH+]1 ZINC000342654504 254026136 /nfs/dbraw/zinc/02/61/36/254026136.db2.gz IMZFPXQFGGMIFE-UHFFFAOYSA-N 1 2 300.343 3.467 20 5 DGBDLO COC[C@H]1CCCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413231889 533127088 /nfs/dbraw/zinc/12/70/88/533127088.db2.gz MLNWYFDCBPFFMI-ZDUSSCGKSA-N 1 2 315.373 3.396 20 5 DGBDLO COc1cc[nH+]c(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000157361661 197181357 /nfs/dbraw/zinc/18/13/57/197181357.db2.gz ZNBVMSDWUYLVEC-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO COC(=O)C(C)(C)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413274423 533130995 /nfs/dbraw/zinc/13/09/95/533130995.db2.gz AGOHSXDYBLZNDY-UHFFFAOYSA-N 1 2 317.345 3.144 20 5 DGBDLO Cc1cc(NCCNc2cccc[nH+]2)c2cccc([N+](=O)[O-])c2n1 ZINC000345094028 254330149 /nfs/dbraw/zinc/33/01/49/254330149.db2.gz 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ZINC000295021106 533618002 /nfs/dbraw/zinc/61/80/02/533618002.db2.gz QOEMWICNUZFLPX-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000054531925 296514945 /nfs/dbraw/zinc/51/49/45/296514945.db2.gz GLRXDUDBOJJFNE-UHFFFAOYSA-N 1 2 315.348 3.056 20 5 DGBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595286536 400117140 /nfs/dbraw/zinc/11/71/40/400117140.db2.gz KUFSCNHSACONHB-UHFFFAOYSA-N 1 2 318.304 3.095 20 5 DGBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595286536 400117144 /nfs/dbraw/zinc/11/71/44/400117144.db2.gz KUFSCNHSACONHB-UHFFFAOYSA-N 1 2 318.304 3.095 20 5 DGBDLO Cc1noc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000595293899 400120094 /nfs/dbraw/zinc/12/00/94/400120094.db2.gz UHTSZTCFRQQFMC-ZDUSSCGKSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1noc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000595293899 400120097 /nfs/dbraw/zinc/12/00/97/400120097.db2.gz UHTSZTCFRQQFMC-ZDUSSCGKSA-N 1 2 305.309 3.367 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324.384 3.382 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000088699885 401205886 /nfs/dbraw/zinc/20/58/86/401205886.db2.gz ATQGSTKTAFMYNK-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO O=[N+]([O-])c1sccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000063257964 401184464 /nfs/dbraw/zinc/18/44/64/401184464.db2.gz UXYMNFFEPNTHKM-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DGBDLO CCOc1cccc(NCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000359847026 286385133 /nfs/dbraw/zinc/38/51/33/286385133.db2.gz PLDVOKDQUHMPOM-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO COC(=O)[C@H](C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000191643079 165262820 /nfs/dbraw/zinc/26/28/20/165262820.db2.gz ORWJVEFKWWHNHD-CFNZNRNTSA-N 1 2 318.373 3.024 20 5 DGBDLO COC(=O)[C@H](C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000191643079 165262822 /nfs/dbraw/zinc/26/28/22/165262822.db2.gz ORWJVEFKWWHNHD-CFNZNRNTSA-N 1 2 318.373 3.024 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(=O)OC(C)(C)C ZINC000182732253 432222875 /nfs/dbraw/zinc/22/28/75/432222875.db2.gz GKTPDHFXTDVIIH-LBPRGKRZSA-N 1 2 308.378 3.238 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000182732253 432222879 /nfs/dbraw/zinc/22/28/79/432222879.db2.gz GKTPDHFXTDVIIH-LBPRGKRZSA-N 1 2 308.378 3.238 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCC[C@H]3CCO)c2c1 ZINC000413251057 230166740 /nfs/dbraw/zinc/16/67/40/230166740.db2.gz PASRJRKKMIRLGE-SWLSCSKDSA-N 1 2 301.346 3.106 20 5 DGBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C2CC2)O1 ZINC000413264727 230173604 /nfs/dbraw/zinc/17/36/04/230173604.db2.gz JYPIYLJGBNAPQQ-BDJLRTHQSA-N 1 2 313.357 3.147 20 5 DGBDLO C[C@@H]1COCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413298199 230182185 /nfs/dbraw/zinc/18/21/85/230182185.db2.gz SDDPIHKSDFIODT-YPMHNXCESA-N 1 2 301.346 3.228 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cncc(F)c1)C1CC1 ZINC000346979496 264131713 /nfs/dbraw/zinc/13/17/13/264131713.db2.gz LRJXUSQVFILYPH-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cncc(F)c1)C1CC1 ZINC000346979496 264131715 /nfs/dbraw/zinc/13/17/15/264131715.db2.gz LRJXUSQVFILYPH-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000347973699 264317424 /nfs/dbraw/zinc/31/74/24/264317424.db2.gz LVHSCMMLKMFSDS-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000347973699 264317426 /nfs/dbraw/zinc/31/74/26/264317426.db2.gz LVHSCMMLKMFSDS-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO CC[C@H](CSC)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351759723 264806229 /nfs/dbraw/zinc/80/62/29/264806229.db2.gz SNGPMSMXXSZHAA-SECBINFHSA-N 1 2 304.362 3.446 20 5 DGBDLO CC[C@H](CSC)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351759723 264806232 /nfs/dbraw/zinc/80/62/32/264806232.db2.gz SNGPMSMXXSZHAA-SECBINFHSA-N 1 2 304.362 3.446 20 5 DGBDLO COc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000353116525 265303211 /nfs/dbraw/zinc/30/32/11/265303211.db2.gz GVKRWFMHDWQJQP-VIFPVBQESA-N 1 2 323.299 3.127 20 5 DGBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353149839 265318651 /nfs/dbraw/zinc/31/86/51/265318651.db2.gz RRNSTLXDJHKITI-UHFFFAOYSA-N 1 2 308.378 3.102 20 5 DGBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353149839 265318656 /nfs/dbraw/zinc/31/86/56/265318656.db2.gz RRNSTLXDJHKITI-UHFFFAOYSA-N 1 2 308.378 3.102 20 5 DGBDLO Cc1ccc(Cc2noc(Cc3cccc([N+](=O)[O-])c3C)n2)c[nH+]1 ZINC000356113663 266287502 /nfs/dbraw/zinc/28/75/02/266287502.db2.gz QWPOMDOBDPHIIC-UHFFFAOYSA-N 1 2 324.340 3.171 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000370053995 271338033 /nfs/dbraw/zinc/33/80/33/271338033.db2.gz SPHMEURRJQUFHR-LBPRGKRZSA-N 1 2 306.753 3.308 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000370047425 271338135 /nfs/dbraw/zinc/33/81/35/271338135.db2.gz XRLSUPUYHPCFKE-CYBMUJFWSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000370047425 271338138 /nfs/dbraw/zinc/33/81/38/271338138.db2.gz XRLSUPUYHPCFKE-CYBMUJFWSA-N 1 2 320.780 3.319 20 5 DGBDLO CCOC[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000459697733 276330606 /nfs/dbraw/zinc/33/06/06/276330606.db2.gz BYPFGWOTTUSESZ-NSHDSACASA-N 1 2 314.332 3.264 20 5 DGBDLO CCOC[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000459697733 276330607 /nfs/dbraw/zinc/33/06/07/276330607.db2.gz BYPFGWOTTUSESZ-NSHDSACASA-N 1 2 314.332 3.264 20 5 DGBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649369 278039896 /nfs/dbraw/zinc/03/98/96/278039896.db2.gz LVZQJVXAQPXRFZ-GFCCVEGCSA-N 1 2 322.368 3.418 20 5 DGBDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649369 278039897 /nfs/dbraw/zinc/03/98/97/278039897.db2.gz LVZQJVXAQPXRFZ-GFCCVEGCSA-N 1 2 322.368 3.418 20 5 DGBDLO C[C@@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])c2[nH+]ccn21 ZINC000450820052 278927542 /nfs/dbraw/zinc/92/75/42/278927542.db2.gz MVHAHRUOVXXOAP-ZWNOBZJWSA-N 1 2 309.329 3.457 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1OCc1[nH+]cc(C)c(OC)c1C ZINC000071907331 431313979 /nfs/dbraw/zinc/31/39/79/431313979.db2.gz QETHFCNMSOUJCY-UHFFFAOYSA-N 1 2 318.329 3.203 20 5 DGBDLO Cc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000010162877 431456468 /nfs/dbraw/zinc/45/64/68/431456468.db2.gz PQHQRUQGOOGLLO-UHFFFAOYSA-N 1 2 312.329 3.125 20 5 DGBDLO Cc1ccc([C@H]2COCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000116894658 431534454 /nfs/dbraw/zinc/53/44/54/431534454.db2.gz GISRIICRJGSKMJ-MRXNPFEDSA-N 1 2 316.357 3.112 20 5 DGBDLO Cc1ccc([C@H]2COCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000116894658 431534458 /nfs/dbraw/zinc/53/44/58/431534458.db2.gz GISRIICRJGSKMJ-MRXNPFEDSA-N 1 2 316.357 3.112 20 5 DGBDLO C[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289332710 280169736 /nfs/dbraw/zinc/16/97/36/280169736.db2.gz HXJAKXCHDHWBDT-ZDUSSCGKSA-N 1 2 319.188 3.248 20 5 DGBDLO C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289332710 280169740 /nfs/dbraw/zinc/16/97/40/280169740.db2.gz HXJAKXCHDHWBDT-ZDUSSCGKSA-N 1 2 319.188 3.248 20 5 DGBDLO COc1ccccc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000015296274 431607546 /nfs/dbraw/zinc/60/75/46/431607546.db2.gz PWHAJCQDOMGECA-UHFFFAOYSA-N 1 2 316.357 3.244 20 5 DGBDLO COc1ccccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000015296274 431607555 /nfs/dbraw/zinc/60/75/55/431607555.db2.gz PWHAJCQDOMGECA-UHFFFAOYSA-N 1 2 316.357 3.244 20 5 DGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1csc([N+](=O)[O-])c1 ZINC000046118683 431894216 /nfs/dbraw/zinc/89/42/16/431894216.db2.gz KOUPIDQSIFQKON-UHFFFAOYSA-N 1 2 314.326 3.094 20 5 DGBDLO COc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1F ZINC000192940740 432433097 /nfs/dbraw/zinc/43/30/97/432433097.db2.gz VESKACSWDPEMNE-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1F ZINC000192940740 432433101 /nfs/dbraw/zinc/43/31/01/432433101.db2.gz VESKACSWDPEMNE-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000192846678 432420796 /nfs/dbraw/zinc/42/07/96/432420796.db2.gz UGUTXIOBRLPSDN-UHFFFAOYSA-N 1 2 324.340 3.041 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000185099608 432466384 /nfs/dbraw/zinc/46/63/84/432466384.db2.gz PHWFJXLVRVOPHL-LBPRGKRZSA-N 1 2 310.737 3.055 20 5 DGBDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000273202221 432564359 /nfs/dbraw/zinc/56/43/59/432564359.db2.gz SOCGAXRROKDMSE-SNVBAGLBSA-N 1 2 306.391 3.168 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000263757714 432574922 /nfs/dbraw/zinc/57/49/22/432574922.db2.gz JPNVIJAITAFXFF-LLVKDONJSA-N 1 2 318.295 3.378 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000263757714 432574925 /nfs/dbraw/zinc/57/49/25/432574925.db2.gz JPNVIJAITAFXFF-LLVKDONJSA-N 1 2 318.295 3.378 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000268293928 432861517 /nfs/dbraw/zinc/86/15/17/432861517.db2.gz VORRCPHYYLPHTH-XJKSGUPXSA-N 1 2 300.362 3.187 20 5 DGBDLO Cc1cc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc(C2CC2)[nH+]1 ZINC000278036912 432880990 /nfs/dbraw/zinc/88/09/90/432880990.db2.gz QEISWNXPFQMPNY-UHFFFAOYSA-N 1 2 324.344 3.059 20 5 DGBDLO Cc1[nH]ncc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278969703 432923335 /nfs/dbraw/zinc/92/33/35/432923335.db2.gz BYHUKZQFEWPLNF-OAHLLOKOSA-N 1 2 300.362 3.139 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000332195562 432983603 /nfs/dbraw/zinc/98/36/03/432983603.db2.gz DJXZCMHHFXTNCV-GDBMZVCRSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000332195562 432983606 /nfs/dbraw/zinc/98/36/06/432983606.db2.gz DJXZCMHHFXTNCV-GDBMZVCRSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1cc(C[N@@H+]2CCc3ccsc3C2)c([N+](=O)[O-])cc1F ZINC000341276362 433013864 /nfs/dbraw/zinc/01/38/64/433013864.db2.gz ILICCQKDCOUQHO-UHFFFAOYSA-N 1 2 322.361 3.362 20 5 DGBDLO COc1cc(C[N@H+]2CCc3ccsc3C2)c([N+](=O)[O-])cc1F ZINC000341276362 433013868 /nfs/dbraw/zinc/01/38/68/433013868.db2.gz ILICCQKDCOUQHO-UHFFFAOYSA-N 1 2 322.361 3.362 20 5 DGBDLO CC[N@H+](Cc1ccncc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000341295537 433019824 /nfs/dbraw/zinc/01/98/24/433019824.db2.gz WSYQYVQMQIGUJL-UHFFFAOYSA-N 1 2 319.336 3.160 20 5 DGBDLO CC[N@@H+](Cc1ccncc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000341295537 433019828 /nfs/dbraw/zinc/01/98/28/433019828.db2.gz WSYQYVQMQIGUJL-UHFFFAOYSA-N 1 2 319.336 3.160 20 5 DGBDLO CC(C)CC[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000280247238 433021985 /nfs/dbraw/zinc/02/19/85/433021985.db2.gz ISGNHQKXMHLDMO-OAHLLOKOSA-N 1 2 303.362 3.255 20 5 DGBDLO Cc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(C)[nH+]1 ZINC000446881999 433123558 /nfs/dbraw/zinc/12/35/58/433123558.db2.gz AHNCLFIKISVWDQ-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO CCOC[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413144994 433264350 /nfs/dbraw/zinc/26/43/50/433264350.db2.gz QXWIYTVJIWOGJV-ZDUSSCGKSA-N 1 2 315.373 3.396 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC3CC(F)(F)C3)c2c1 ZINC000413340048 433276746 /nfs/dbraw/zinc/27/67/46/433276746.db2.gz RBDYJVODLLDEFQ-UHFFFAOYSA-N 1 2 307.300 3.990 20 5 DGBDLO CC[C@@H](C)[C@H](C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817620 433288130 /nfs/dbraw/zinc/28/81/30/433288130.db2.gz PGTKBVCTOKDJIH-KGLIPLIRSA-N 1 2 321.421 3.274 20 5 DGBDLO Cc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(C)[nH+]1 ZINC000421038417 433404521 /nfs/dbraw/zinc/40/45/21/433404521.db2.gz RGAPBCUHGMLQLG-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2csnn2)cc1[N+](=O)[O-] ZINC000414309238 433535439 /nfs/dbraw/zinc/53/54/39/433535439.db2.gz UPOMRAZRUXWWGD-VHSXEESVSA-N 1 2 322.390 3.257 20 5 DGBDLO CCc1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000414374485 433580167 /nfs/dbraw/zinc/58/01/67/433580167.db2.gz VYYAJVRGHFCKJB-UHFFFAOYSA-N 1 2 312.373 3.112 20 5 DGBDLO CCc1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000414374485 433580177 /nfs/dbraw/zinc/58/01/77/433580177.db2.gz VYYAJVRGHFCKJB-UHFFFAOYSA-N 1 2 312.373 3.112 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](CF)C2)o1 ZINC000414469906 433635725 /nfs/dbraw/zinc/63/57/25/433635725.db2.gz KIHIQNXZLVJGKM-CYBMUJFWSA-N 1 2 320.320 3.025 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@H](CF)C2)o1 ZINC000414469906 433635733 /nfs/dbraw/zinc/63/57/33/433635733.db2.gz KIHIQNXZLVJGKM-CYBMUJFWSA-N 1 2 320.320 3.025 20 5 DGBDLO CC[C@@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000293204420 433655566 /nfs/dbraw/zinc/65/55/66/433655566.db2.gz PEHDMCGYUAIQAK-CYBMUJFWSA-N 1 2 303.366 3.077 20 5 DGBDLO CC(=O)c1ccc(Nc2ccc3c(c2)[nH+]cn3C)c([N+](=O)[O-])c1 ZINC000351864926 433757983 /nfs/dbraw/zinc/75/79/83/433757983.db2.gz ZUJJNSJDZUAACY-UHFFFAOYSA-N 1 2 310.313 3.428 20 5 DGBDLO O=[N+]([O-])c1ccc(COc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000356923877 433769077 /nfs/dbraw/zinc/76/90/77/433769077.db2.gz ZUDIHZMNOAJDIB-UHFFFAOYSA-N 1 2 313.288 3.499 20 5 DGBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284215378 433859899 /nfs/dbraw/zinc/85/98/99/433859899.db2.gz TZYRZKWIEMZWDJ-LLVKDONJSA-N 1 2 316.317 3.091 20 5 DGBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284215378 433859906 /nfs/dbraw/zinc/85/99/06/433859906.db2.gz TZYRZKWIEMZWDJ-LLVKDONJSA-N 1 2 316.317 3.091 20 5 DGBDLO Cc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293948258 433935214 /nfs/dbraw/zinc/93/52/14/433935214.db2.gz IOZHZLXCHRKJNT-IAGOWNOFSA-N 1 2 302.374 3.047 20 5 DGBDLO O=C(NCCn1cc[nH+]c1)c1cc2ccccc2c2cccnc12 ZINC000340053296 433900375 /nfs/dbraw/zinc/90/03/75/433900375.db2.gz QSESPNJGLNMKCY-UHFFFAOYSA-N 1 2 316.364 3.015 20 5 DGBDLO Cc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293948258 433935224 /nfs/dbraw/zinc/93/52/24/433935224.db2.gz IOZHZLXCHRKJNT-IAGOWNOFSA-N 1 2 302.374 3.047 20 5 DGBDLO CC(=O)c1cc(NCc2cn3c(cccc3C)[nH+]2)ccc1[N+](=O)[O-] ZINC000340030819 433892101 /nfs/dbraw/zinc/89/21/01/433892101.db2.gz QJAQZRWZOHGGSD-UHFFFAOYSA-N 1 2 324.340 3.366 20 5 DGBDLO CC(=O)c1ccc(N[C@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000285464932 433956846 /nfs/dbraw/zinc/95/68/46/433956846.db2.gz BQXZZKQEYZVPOO-AWEZNQCLSA-N 1 2 302.334 3.330 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])CCC2 ZINC000378230583 293765668 /nfs/dbraw/zinc/76/56/68/293765668.db2.gz IEEMDQSRGZHGMN-NSHDSACASA-N 1 2 304.325 3.228 20 5 DGBDLO Cc1c(C[N@@H+]2CCOc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC000285610599 434012415 /nfs/dbraw/zinc/01/24/15/434012415.db2.gz VTWIWHWESOKCEX-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO Cc1c(C[N@H+]2CCOc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC000285610599 434012418 /nfs/dbraw/zinc/01/24/18/434012418.db2.gz VTWIWHWESOKCEX-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CCO)c2ccccc2)c(F)c1 ZINC000285749214 434059514 /nfs/dbraw/zinc/05/95/14/434059514.db2.gz VMIPMUOTGLRDQP-INIZCTEOSA-N 1 2 322.311 3.086 20 5 DGBDLO CCc1cc(NC[C@@H]2C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507097883 294281910 /nfs/dbraw/zinc/28/19/10/294281910.db2.gz LFHLHVDEWRMNQT-AAEUAGOBSA-N 1 2 312.373 3.104 20 5 DGBDLO Cc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000509460187 294353176 /nfs/dbraw/zinc/35/31/76/294353176.db2.gz WNUGPCRQDHCGEZ-UHFFFAOYSA-N 1 2 314.389 3.496 20 5 DGBDLO O=[N+]([O-])c1ccc2nc(NCCCCn3cc[nH+]c3)ccc2c1 ZINC000321513615 434248502 /nfs/dbraw/zinc/24/85/02/434248502.db2.gz WISSVCKYWVDIOF-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])c(N)c2F)[nH+]1 ZINC000286687660 434291270 /nfs/dbraw/zinc/29/12/70/434291270.db2.gz XIZRELDJJHBAFZ-UHFFFAOYSA-N 1 2 304.325 3.064 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C)cc2[nH+]1 ZINC000340955292 434453962 /nfs/dbraw/zinc/45/39/62/434453962.db2.gz LNYIZSSIFIGJFA-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C)ccc2[nH+]1 ZINC000340955292 434453974 /nfs/dbraw/zinc/45/39/74/434453974.db2.gz LNYIZSSIFIGJFA-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000445850509 434830196 /nfs/dbraw/zinc/83/01/96/434830196.db2.gz XESJGYILFFWGOH-LLVKDONJSA-N 1 2 303.387 3.479 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2ncsc2C1 ZINC000445850509 434830200 /nfs/dbraw/zinc/83/02/00/434830200.db2.gz XESJGYILFFWGOH-LLVKDONJSA-N 1 2 303.387 3.479 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000553242464 434883774 /nfs/dbraw/zinc/88/37/74/434883774.db2.gz YOJIZSLXECQZSZ-UHFFFAOYSA-N 1 2 321.377 3.118 20 5 DGBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)S1 ZINC000580167092 435209784 /nfs/dbraw/zinc/20/97/84/435209784.db2.gz APUAXUGYEQYQNG-PHIMTYICSA-N 1 2 303.387 3.473 20 5 DGBDLO CC[C@]1(C)COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000535566412 435336256 /nfs/dbraw/zinc/33/62/56/435336256.db2.gz IXUXHMZGQOFVES-QGZVFWFLSA-N 1 2 322.405 3.383 20 5 DGBDLO CC[C@]1(C)COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000535566412 435336261 /nfs/dbraw/zinc/33/62/61/435336261.db2.gz IXUXHMZGQOFVES-QGZVFWFLSA-N 1 2 322.405 3.383 20 5 DGBDLO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CC)C(=O)OCC ZINC000484548356 435548727 /nfs/dbraw/zinc/54/87/27/435548727.db2.gz SIWAKZIPJWMHLC-AWEZNQCLSA-N 1 2 308.378 3.149 20 5 DGBDLO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CC)C(=O)OCC ZINC000484548356 435548732 /nfs/dbraw/zinc/54/87/32/435548732.db2.gz SIWAKZIPJWMHLC-AWEZNQCLSA-N 1 2 308.378 3.149 20 5 DGBDLO Cc1nsc(C)c1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000517388103 435593155 /nfs/dbraw/zinc/59/31/55/435593155.db2.gz VUMVNKKUURETPB-UHFFFAOYSA-N 1 2 319.386 3.063 20 5 DGBDLO Cc1nsc(C)c1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000517388103 435593159 /nfs/dbraw/zinc/59/31/59/435593159.db2.gz VUMVNKKUURETPB-UHFFFAOYSA-N 1 2 319.386 3.063 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000542662679 314089441 /nfs/dbraw/zinc/08/94/41/314089441.db2.gz RZIAQZYGWBOCDY-GOSISDBHSA-N 1 2 320.352 3.264 20 5 DGBDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000544547172 314197422 /nfs/dbraw/zinc/19/74/22/314197422.db2.gz KVMYYRIZBCVHIG-UHFFFAOYSA-N 1 2 308.378 3.149 20 5 DGBDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000544547172 314197427 /nfs/dbraw/zinc/19/74/27/314197427.db2.gz KVMYYRIZBCVHIG-UHFFFAOYSA-N 1 2 308.378 3.149 20 5 DGBDLO C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000584278823 332204393 /nfs/dbraw/zinc/20/43/93/332204393.db2.gz ZRFJBVGBEJCLHY-LLVKDONJSA-N 1 2 303.387 3.475 20 5 DGBDLO C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000584278824 332204470 /nfs/dbraw/zinc/20/44/70/332204470.db2.gz ZRFJBVGBEJCLHY-NSHDSACASA-N 1 2 303.387 3.475 20 5 DGBDLO C[C@H]1COCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413298190 534045107 /nfs/dbraw/zinc/04/51/07/534045107.db2.gz SDDPIHKSDFIODT-AAEUAGOBSA-N 1 2 301.346 3.228 20 5 DGBDLO Cc1cc(C)c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC000178666954 534070789 /nfs/dbraw/zinc/07/07/89/534070789.db2.gz ZISOGHBPMJXMCZ-UHFFFAOYSA-N 1 2 313.357 3.405 20 5 DGBDLO CC(C)OC(=O)[C@@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413168174 527837880 /nfs/dbraw/zinc/83/78/80/527837880.db2.gz MGYNDNMICNTONJ-NSHDSACASA-N 1 2 317.345 3.143 20 5 DGBDLO CCCc1nc(C)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000428247446 528723852 /nfs/dbraw/zinc/72/38/52/528723852.db2.gz JPTLFNJYCADRJE-UHFFFAOYSA-N 1 2 315.373 3.402 20 5 DGBDLO CCCc1nc(C)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000428247446 528723853 /nfs/dbraw/zinc/72/38/53/528723853.db2.gz JPTLFNJYCADRJE-UHFFFAOYSA-N 1 2 315.373 3.402 20 5 DGBDLO CC1(C)CCC[C@]1(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413295772 529000983 /nfs/dbraw/zinc/00/09/83/529000983.db2.gz JOLGNUWOGZIERU-KRWDZBQOSA-N 1 2 315.373 3.496 20 5 DGBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735493345 574704120 /nfs/dbraw/zinc/70/41/20/574704120.db2.gz ONPQVJNRFLJUJP-AWEZNQCLSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735493345 574704122 /nfs/dbraw/zinc/70/41/22/574704122.db2.gz ONPQVJNRFLJUJP-AWEZNQCLSA-N 1 2 312.797 3.495 20 5 DGBDLO CCC(C)(C)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000744328323 575929680 /nfs/dbraw/zinc/92/96/80/575929680.db2.gz JVZNUEGWLFOAFJ-UHFFFAOYSA-N 1 2 317.345 3.374 20 5 DGBDLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000926795829 618132002 /nfs/dbraw/zinc/13/20/02/618132002.db2.gz MVBBVPGZQQOBQM-CYBMUJFWSA-N 1 2 301.346 3.367 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895353047 618601386 /nfs/dbraw/zinc/60/13/86/618601386.db2.gz RJHKETZJTHFOEY-UHFFFAOYSA-N 1 2 312.373 3.379 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1Cl ZINC000895765849 618826915 /nfs/dbraw/zinc/82/69/15/618826915.db2.gz RYFAMBNJAPCLJP-UHFFFAOYSA-N 1 2 307.737 3.403 20 5 DGBDLO COc1cc(CNc2ccc(C3CC3)c[nH+]2)c([N+](=O)[O-])cc1O ZINC000897712763 619175518 /nfs/dbraw/zinc/17/55/18/619175518.db2.gz UCJSCSUABROYLY-UHFFFAOYSA-N 1 2 315.329 3.194 20 5 DGBDLO CCc1onc(C)c1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000927133240 619279352 /nfs/dbraw/zinc/27/93/52/619279352.db2.gz BEJTUTYPQUTXBD-JTQLQIEISA-N 1 2 307.325 3.444 20 5 DGBDLO CCc1cnc(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)s1 ZINC000903104764 619717471 /nfs/dbraw/zinc/71/74/71/619717471.db2.gz XSNKXXCEIRZFLJ-SNVBAGLBSA-N 1 2 321.402 3.473 20 5 DGBDLO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000866564118 622139223 /nfs/dbraw/zinc/13/92/23/622139223.db2.gz RLLMRHWCCPXKJF-VIFPVBQESA-N 1 2 310.304 3.117 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nn(C)cc1C(F)F ZINC000866568193 622140361 /nfs/dbraw/zinc/14/03/61/622140361.db2.gz WSEHLAATASKONK-JTQLQIEISA-N 1 2 324.331 3.425 20 5 DGBDLO Cn1cc(C(F)F)c(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000866567996 622140434 /nfs/dbraw/zinc/14/04/34/622140434.db2.gz OUNQAXFZZWYZTB-GFCCVEGCSA-N 1 2 322.315 3.043 20 5 DGBDLO COc1cc(C)[nH+]c(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000769561563 622541381 /nfs/dbraw/zinc/54/13/81/622541381.db2.gz FOJAGFCDWRFWJI-LBPRGKRZSA-N 1 2 313.357 3.258 20 5 DGBDLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045225 622772215 /nfs/dbraw/zinc/77/22/15/622772215.db2.gz KEALAYOAMMFZEK-QMTHXVAHSA-N 1 2 322.311 3.257 20 5 DGBDLO CCn1cc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872079520 622793683 /nfs/dbraw/zinc/79/36/83/622793683.db2.gz ZDJBBVWGLZEXFV-GHMZBOCLSA-N 1 2 306.341 3.362 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1Cl ZINC000872257167 622869700 /nfs/dbraw/zinc/86/97/00/622869700.db2.gz MAKXHOSRYGFTDL-LBPRGKRZSA-N 1 2 320.723 3.104 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)cc1Cl ZINC000872257167 622869701 /nfs/dbraw/zinc/86/97/01/622869701.db2.gz MAKXHOSRYGFTDL-LBPRGKRZSA-N 1 2 320.723 3.104 20 5 DGBDLO CC1(C)CCc2onc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000873175897 623061886 /nfs/dbraw/zinc/06/18/86/623061886.db2.gz WBRSZBODCAZTBB-UHFFFAOYSA-N 1 2 315.373 3.388 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000779859338 623823379 /nfs/dbraw/zinc/82/33/79/623823379.db2.gz JIMLREQCCPETNO-HNNXBMFYSA-N 1 2 300.362 3.203 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000779859338 623823386 /nfs/dbraw/zinc/82/33/86/623823386.db2.gz JIMLREQCCPETNO-HNNXBMFYSA-N 1 2 300.362 3.203 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(C3CC3)no2)c(Cl)c1 ZINC000877388922 623866494 /nfs/dbraw/zinc/86/64/94/623866494.db2.gz HTQLMXCYAAZGSA-UHFFFAOYSA-N 1 2 307.737 3.403 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000781354226 624059836 /nfs/dbraw/zinc/05/98/36/624059836.db2.gz PANAHWPFYCHUCU-NSHDSACASA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000781354226 624059841 /nfs/dbraw/zinc/05/98/41/624059841.db2.gz PANAHWPFYCHUCU-NSHDSACASA-N 1 2 320.723 3.452 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC=CCC2)o1 ZINC000878385016 624263628 /nfs/dbraw/zinc/26/36/28/624263628.db2.gz SJSRTCFJKXKLRC-UHFFFAOYSA-N 1 2 320.736 3.060 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC=CCC2)o1 ZINC000878385016 624263630 /nfs/dbraw/zinc/26/36/30/624263630.db2.gz SJSRTCFJKXKLRC-UHFFFAOYSA-N 1 2 320.736 3.060 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878877848 624378115 /nfs/dbraw/zinc/37/81/15/624378115.db2.gz KPNMISDWYJXDDH-ZDUSSCGKSA-N 1 2 306.753 3.308 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878877848 624378122 /nfs/dbraw/zinc/37/81/22/624378122.db2.gz KPNMISDWYJXDDH-ZDUSSCGKSA-N 1 2 306.753 3.308 20 5 DGBDLO CC(C)c1c[nH]c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000883127252 625934678 /nfs/dbraw/zinc/93/46/78/625934678.db2.gz PYVLPNLKGCEVAF-UHFFFAOYSA-N 1 2 302.378 3.466 20 5 DGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCC(C)(C)C1=O ZINC000839966776 626561272 /nfs/dbraw/zinc/56/12/72/626561272.db2.gz ICOVVDSZFPCQMD-UHFFFAOYSA-N 1 2 319.405 3.021 20 5 DGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCC(C)(C)C1=O ZINC000839966776 626561275 /nfs/dbraw/zinc/56/12/75/626561275.db2.gz ICOVVDSZFPCQMD-UHFFFAOYSA-N 1 2 319.405 3.021 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]C2(c3ncccn3)CCC2)cc1[N+](=O)[O-] ZINC000883314280 626643514 /nfs/dbraw/zinc/64/35/14/626643514.db2.gz ZXHZZTAGVNGOIO-CYBMUJFWSA-N 1 2 312.373 3.423 20 5 DGBDLO CC[C@@H](c1ccncc1)[N@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000131518190 626646583 /nfs/dbraw/zinc/64/65/83/626646583.db2.gz OKUUFICVLMJRLQ-HNNXBMFYSA-N 1 2 317.393 3.234 20 5 DGBDLO CC[C@@H](c1ccncc1)[N@@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000131518190 626646586 /nfs/dbraw/zinc/64/65/86/626646586.db2.gz OKUUFICVLMJRLQ-HNNXBMFYSA-N 1 2 317.393 3.234 20 5 DGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCCCNc1cccc[nH+]1 ZINC000807927427 626778405 /nfs/dbraw/zinc/77/84/05/626778405.db2.gz HZBJXZOOYQXZDR-UHFFFAOYSA-N 1 2 314.345 3.107 20 5 DGBDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1O ZINC000809981980 626964978 /nfs/dbraw/zinc/96/49/78/626964978.db2.gz CLDOICFLKDEZLM-QPUJVOFHSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1O ZINC000809981980 626964980 /nfs/dbraw/zinc/96/49/80/626964980.db2.gz CLDOICFLKDEZLM-QPUJVOFHSA-N 1 2 319.188 3.104 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000886263702 627127458 /nfs/dbraw/zinc/12/74/58/627127458.db2.gz DKFOBPKCRSZFDX-UHFFFAOYSA-N 1 2 303.749 3.422 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000886308719 627134500 /nfs/dbraw/zinc/13/45/00/627134500.db2.gz JWUWCYRPHOLVFT-KRWDZBQOSA-N 1 2 315.348 3.451 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000886308719 627134502 /nfs/dbraw/zinc/13/45/02/627134502.db2.gz JWUWCYRPHOLVFT-KRWDZBQOSA-N 1 2 315.348 3.451 20 5 DGBDLO COc1cc(F)c([N+](=O)[O-])c(NCc2cc(C)[nH+]c(C)c2)c1 ZINC000817125237 627858103 /nfs/dbraw/zinc/85/81/03/627858103.db2.gz ZBSNZOSALZMGNS-UHFFFAOYSA-N 1 2 305.309 3.366 20 5 DGBDLO COCC1(C2CCC2)C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000827011760 628912728 /nfs/dbraw/zinc/91/27/28/628912728.db2.gz NXAHDLNNSHZNGE-UHFFFAOYSA-N 1 2 324.808 3.497 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCCC2)O1 ZINC000830861947 629312901 /nfs/dbraw/zinc/31/29/01/629312901.db2.gz ZCKGMAWEVWPQLX-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCCC2)O1 ZINC000830861947 629312905 /nfs/dbraw/zinc/31/29/05/629312905.db2.gz ZCKGMAWEVWPQLX-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H](CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000844326852 630719248 /nfs/dbraw/zinc/71/92/48/630719248.db2.gz LFOSQYDGFVRPQN-NEPJUHHUSA-N 1 2 303.318 3.047 20 5 DGBDLO C[C@@H](CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845285178 631160491 /nfs/dbraw/zinc/16/04/91/631160491.db2.gz POVFABNNJFMJCI-RYUDHWBXSA-N 1 2 303.318 3.047 20 5 DGBDLO C[C@@H](CC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845283688 631160566 /nfs/dbraw/zinc/16/05/66/631160566.db2.gz YQTKXEDDSABBGZ-JTQLQIEISA-N 1 2 323.736 3.139 20 5 DGBDLO C[C@@H](CC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845282919 631160862 /nfs/dbraw/zinc/16/08/62/631160862.db2.gz RHLDRIYDQPLYGL-JTQLQIEISA-N 1 2 323.736 3.139 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1O ZINC000177215696 655917461 /nfs/dbraw/zinc/91/74/61/655917461.db2.gz LKHNBHYHBMAHLO-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1O ZINC000177215696 655917462 /nfs/dbraw/zinc/91/74/62/655917462.db2.gz LKHNBHYHBMAHLO-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000932168147 661543765 /nfs/dbraw/zinc/54/37/65/661543765.db2.gz HSHPVQKHAFYBLS-ZDUSSCGKSA-N 1 2 308.378 3.080 20 5 DGBDLO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000932168147 661543766 /nfs/dbraw/zinc/54/37/66/661543766.db2.gz HSHPVQKHAFYBLS-ZDUSSCGKSA-N 1 2 308.378 3.080 20 5 DGBDLO C[C@@H]([NH2+]Cc1noc2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000932181021 661545299 /nfs/dbraw/zinc/54/52/99/661545299.db2.gz YNBAYNZEJYMRPJ-LLVKDONJSA-N 1 2 301.346 3.312 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932381279 661564233 /nfs/dbraw/zinc/56/42/33/661564233.db2.gz MDGTWQXGHHFLPJ-MRXNPFEDSA-N 1 2 301.321 3.370 20 5 DGBDLO C[C@H](c1ccccc1)[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC001473291478 1181411312 /nfs/dbraw/zinc/41/13/12/1181411312.db2.gz MQZIYCLSPGCJPE-GFCCVEGCSA-N 1 2 306.387 3.212 20 5 DGBDLO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC001473291478 1181411321 /nfs/dbraw/zinc/41/13/21/1181411321.db2.gz MQZIYCLSPGCJPE-GFCCVEGCSA-N 1 2 306.387 3.212 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)ccn12 ZINC001357803845 1181429095 /nfs/dbraw/zinc/42/90/95/1181429095.db2.gz UCDGPNZTRJOCOB-LBPRGKRZSA-N 1 2 324.340 3.042 20 5 DGBDLO Nc1[nH+]cccc1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001458385062 1182520093 /nfs/dbraw/zinc/52/00/93/1182520093.db2.gz RXBYUVBMNIBLFV-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO C[C@@H]([NH2+][C@H](CO)c1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001460953349 1182745991 /nfs/dbraw/zinc/74/59/91/1182745991.db2.gz RGIAUCJWBJULFT-MEBBXXQBSA-N 1 2 322.311 3.257 20 5 DGBDLO CC(C)c1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC001558561735 1189134386 /nfs/dbraw/zinc/13/43/86/1189134386.db2.gz VAATUCBQGQNRTD-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO CC(C)c1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c[nH+]1 ZINC001558561735 1189134388 /nfs/dbraw/zinc/13/43/88/1189134388.db2.gz VAATUCBQGQNRTD-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1[N+](=O)[O-] ZINC001560118889 1189280761 /nfs/dbraw/zinc/28/07/61/1189280761.db2.gz FYKQPXHEDTTYNA-LBPRGKRZSA-N 1 2 310.357 3.332 20 5 DGBDLO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1-n1cc[nH+]c1 ZINC001628097115 1194159962 /nfs/dbraw/zinc/15/99/62/1194159962.db2.gz SMFSPJSJEYJMIB-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001644987267 1195148442 /nfs/dbraw/zinc/14/84/42/1195148442.db2.gz YYEVSLCTUWQDLI-WDEREUQCSA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001644987267 1195148443 /nfs/dbraw/zinc/14/84/43/1195148443.db2.gz YYEVSLCTUWQDLI-WDEREUQCSA-N 1 2 302.708 3.335 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCc2ccccc21 ZINC001654954554 1195857898 /nfs/dbraw/zinc/85/78/98/1195857898.db2.gz SDZBQDKVPVIYGW-CYBMUJFWSA-N 1 2 312.369 3.462 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCc2ccccc21 ZINC001654954554 1195857901 /nfs/dbraw/zinc/85/79/01/1195857901.db2.gz SDZBQDKVPVIYGW-CYBMUJFWSA-N 1 2 312.369 3.462 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc(C)cs1 ZINC001655249114 1195896260 /nfs/dbraw/zinc/89/62/60/1195896260.db2.gz WTXIKSCSVHZPNB-UHFFFAOYSA-N 1 2 307.375 3.048 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCn4ccnc43)o2)cc1 ZINC001656296257 1196027599 /nfs/dbraw/zinc/02/75/99/1196027599.db2.gz HPYMWUJBHFXVTK-OAHLLOKOSA-N 1 2 324.340 3.286 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)c(Cl)c1 ZINC001657899434 1196191478 /nfs/dbraw/zinc/19/14/78/1196191478.db2.gz KBMBCNAGFAVDNK-OAHLLOKOSA-N 1 2 324.739 3.211 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1nccc3c1CCCC3)CC2 ZINC001658544160 1196271611 /nfs/dbraw/zinc/27/16/11/1196271611.db2.gz BSTWUYNQBWUSEA-UHFFFAOYSA-N 1 2 323.396 3.427 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1nccc3c1CCCC3)CC2 ZINC001658544160 1196271614 /nfs/dbraw/zinc/27/16/14/1196271614.db2.gz BSTWUYNQBWUSEA-UHFFFAOYSA-N 1 2 323.396 3.427 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(Br)o2)cs1 ZINC000178902550 1204299669 /nfs/dbraw/zinc/29/96/69/1204299669.db2.gz XPVKWSILUUNUMJ-UHFFFAOYSA-N 1 2 317.164 3.302 20 5 DGBDLO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCCCn1cc[nH+]c1 ZINC001161688880 1089347758 /nfs/dbraw/zinc/34/77/58/1089347758.db2.gz AUWTYHGIWQSDOB-UHFFFAOYSA-N 1 2 318.377 3.389 20 5 DGBDLO CN(C)c1ccc(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)c[nH+]1 ZINC001162073701 1089543117 /nfs/dbraw/zinc/54/31/17/1089543117.db2.gz KAIXHJZQTCJUJE-UHFFFAOYSA-N 1 2 313.361 3.073 20 5 DGBDLO Cc1cc([N+](=O)[O-])c(NCc2ccc3[nH+]ccn3c2)nc1Cl ZINC001163136883 1090087331 /nfs/dbraw/zinc/08/73/31/1090087331.db2.gz SOEZWXPQJGJZQE-UHFFFAOYSA-N 1 2 317.736 3.211 20 5 DGBDLO CCNc1cc(CNc2cc(C)c([N+](=O)[O-])cc2F)cc[nH+]1 ZINC001163860276 1090275186 /nfs/dbraw/zinc/27/51/86/1090275186.db2.gz DCTWPKNJQFUFQB-UHFFFAOYSA-N 1 2 304.325 3.481 20 5 DGBDLO Cc1cc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)ncc1[N+](=O)[O-] ZINC001163990384 1090310120 /nfs/dbraw/zinc/31/01/20/1090310120.db2.gz WNYZMQFKGPJNDN-HNNXBMFYSA-N 1 2 323.356 3.348 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)o1 ZINC001212569905 1091229051 /nfs/dbraw/zinc/22/90/51/1091229051.db2.gz COXSCOOXKUFPAF-UHFFFAOYSA-N 1 2 323.268 3.091 20 5 DGBDLO Cc1cc(NCCn2c[nH+]cc2-c2ccccc2)ncc1[N+](=O)[O-] ZINC001307177497 1091426990 /nfs/dbraw/zinc/42/69/90/1091426990.db2.gz HAQHOLKCMYEOPA-UHFFFAOYSA-N 1 2 323.356 3.274 20 5 DGBDLO CCN(C)c1ccc(Nc2cc([N+](=O)[O-])ccc2OC)c[nH+]1 ZINC001210443657 1093167189 /nfs/dbraw/zinc/16/71/89/1093167189.db2.gz BNLVRFUJGJGDID-UHFFFAOYSA-N 1 2 302.334 3.198 20 5 DGBDLO O=[N+]([O-])c1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1F ZINC001211191437 1093410981 /nfs/dbraw/zinc/41/09/81/1093410981.db2.gz VZVJBSJCSDRJTN-UHFFFAOYSA-N 1 2 302.309 3.473 20 5 DGBDLO CC(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225919145 1096564664 /nfs/dbraw/zinc/56/46/64/1096564664.db2.gz QANIPTFWQIFHHY-UHFFFAOYSA-N 1 2 304.268 3.085 20 5 DGBDLO CC(C)(C)[NH+]1CC(Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226301095 1096656672 /nfs/dbraw/zinc/65/66/72/1096656672.db2.gz GJSNPWWDAWTRSQ-UHFFFAOYSA-N 1 2 318.295 3.475 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC001228197752 1097071697 /nfs/dbraw/zinc/07/16/97/1097071697.db2.gz BSLRXNHGTMVWOA-LBPRGKRZSA-N 1 2 317.172 3.375 20 5 DGBDLO CC(C)(C)[NH+]1CC(Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930052 1097220165 /nfs/dbraw/zinc/22/01/65/1097220165.db2.gz JOCPAVGZXDRRIB-UHFFFAOYSA-N 1 2 318.295 3.475 20 5 DGBDLO O=[N+]([O-])c1cc(O)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001199828426 1102227005 /nfs/dbraw/zinc/22/70/05/1102227005.db2.gz HJJNTCVUKCNPQA-UHFFFAOYSA-N 1 2 300.318 3.039 20 5 DGBDLO CCOc1cc(Nc2ccc(OC)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001248466218 1105116720 /nfs/dbraw/zinc/11/67/20/1105116720.db2.gz NSLFENQXNKFDJN-UHFFFAOYSA-N 1 2 303.318 3.449 20 5 DGBDLO CCOC(=O)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](C)CC ZINC001254539972 1106098963 /nfs/dbraw/zinc/09/89/63/1106098963.db2.gz NPJQWEBHTZXRMG-ZENOOKHLSA-N 1 2 322.405 3.093 20 5 DGBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001254552320 1106102754 /nfs/dbraw/zinc/10/27/54/1106102754.db2.gz KUXBYURYYZIJOR-ZWNOBZJWSA-N 1 2 302.296 3.205 20 5 DGBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001254552320 1106102757 /nfs/dbraw/zinc/10/27/57/1106102757.db2.gz KUXBYURYYZIJOR-ZWNOBZJWSA-N 1 2 302.296 3.205 20 5 DGBDLO CNc1cc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc[nH+]1 ZINC001307214689 1111279834 /nfs/dbraw/zinc/27/98/34/1111279834.db2.gz PSOJLJCRWJQFNO-UHFFFAOYSA-N 1 2 324.287 3.245 20 5 DGBDLO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001308068907 1111373768 /nfs/dbraw/zinc/37/37/68/1111373768.db2.gz SHQBWUXFJCOTLK-NSHDSACASA-N 1 2 324.340 3.094 20 5 DGBDLO CCn1nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000321054224 231199962 /nfs/dbraw/zinc/19/99/62/231199962.db2.gz KNVZRNIZSLRKQU-UHFFFAOYSA-N 1 2 310.357 3.254 20 5 DGBDLO CC[C@@]1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000442892868 529532316 /nfs/dbraw/zinc/53/23/16/529532316.db2.gz OSKATKRGDNOQKL-KRWDZBQOSA-N 1 2 322.405 3.383 20 5 DGBDLO CC[C@@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000442892868 529532317 /nfs/dbraw/zinc/53/23/17/529532317.db2.gz OSKATKRGDNOQKL-KRWDZBQOSA-N 1 2 322.405 3.383 20 5 DGBDLO CCc1cc(NC[C@H](C)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302698403 529558018 /nfs/dbraw/zinc/55/80/18/529558018.db2.gz WWJHDHUZLYSLDC-NSHDSACASA-N 1 2 316.361 3.061 20 5 DGBDLO CC(C)c1ccc(C[N@H+](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000092591283 185327967 /nfs/dbraw/zinc/32/79/67/185327967.db2.gz GAGQDNFHPQQQNK-UHFFFAOYSA-N 1 2 300.362 3.140 20 5 DGBDLO CC(C)c1ccc(C[N@@H+](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000092591283 185327968 /nfs/dbraw/zinc/32/79/68/185327968.db2.gz GAGQDNFHPQQQNK-UHFFFAOYSA-N 1 2 300.362 3.140 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000179863478 199089692 /nfs/dbraw/zinc/08/96/92/199089692.db2.gz GFXFSRHDMGLAPT-GFCCVEGCSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000179863478 199089693 /nfs/dbraw/zinc/08/96/93/199089693.db2.gz GFXFSRHDMGLAPT-GFCCVEGCSA-N 1 2 302.330 3.076 20 5 DGBDLO CCc1c[nH+]ccc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000276673589 213037605 /nfs/dbraw/zinc/03/76/05/213037605.db2.gz ROVXZVYYPSYXPP-UHFFFAOYSA-N 1 2 315.329 3.122 20 5 DGBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000237327624 202233604 /nfs/dbraw/zinc/23/36/04/202233604.db2.gz QKTTZBYOEDAWNZ-SNVBAGLBSA-N 1 2 304.350 3.126 20 5 DGBDLO Cc1ccoc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000429401163 238050768 /nfs/dbraw/zinc/05/07/68/238050768.db2.gz PCMGYWGUVABKHQ-UHFFFAOYSA-N 1 2 300.318 3.005 20 5 DGBDLO Cc1ccoc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000429401163 238050769 /nfs/dbraw/zinc/05/07/69/238050769.db2.gz PCMGYWGUVABKHQ-UHFFFAOYSA-N 1 2 300.318 3.005 20 5 DGBDLO CCc1noc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292846613 223272102 /nfs/dbraw/zinc/27/21/02/223272102.db2.gz BNKXYWXVZPVREI-UHFFFAOYSA-N 1 2 309.753 3.397 20 5 DGBDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000449570484 240296468 /nfs/dbraw/zinc/29/64/68/240296468.db2.gz JUEYJUMUNBCNHJ-NOZJJQNGSA-N 1 2 306.753 3.240 20 5 DGBDLO C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091810353 193110668 /nfs/dbraw/zinc/11/06/68/193110668.db2.gz NHJQCXXBEIULPI-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091810353 193110670 /nfs/dbraw/zinc/11/06/70/193110670.db2.gz NHJQCXXBEIULPI-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000135410688 432117268 /nfs/dbraw/zinc/11/72/68/432117268.db2.gz WXMZUPDBPPJGNU-UHFFFAOYSA-N 1 2 302.321 3.339 20 5 DGBDLO CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000135410688 432117271 /nfs/dbraw/zinc/11/72/71/432117271.db2.gz WXMZUPDBPPJGNU-UHFFFAOYSA-N 1 2 302.321 3.339 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc(C3CC3)nc2)C2CC2)cc1 ZINC000459305842 243325263 /nfs/dbraw/zinc/32/52/63/243325263.db2.gz QVZCVKAVPYJEOC-UHFFFAOYSA-N 1 2 324.384 3.427 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc(C3CC3)nc2)C2CC2)cc1 ZINC000459305842 243325270 /nfs/dbraw/zinc/32/52/70/243325270.db2.gz QVZCVKAVPYJEOC-UHFFFAOYSA-N 1 2 324.384 3.427 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(NCCCNc2cccc[nH+]2)c(F)c1 ZINC000121687033 284203862 /nfs/dbraw/zinc/20/38/62/284203862.db2.gz DKIDZYRJEATOTP-UHFFFAOYSA-N 1 2 308.288 3.182 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1F ZINC000282989892 217373075 /nfs/dbraw/zinc/37/30/75/217373075.db2.gz DWSRICOSDMQCRF-UHFFFAOYSA-N 1 2 304.243 3.428 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1F ZINC000282989892 217373076 /nfs/dbraw/zinc/37/30/76/217373076.db2.gz DWSRICOSDMQCRF-UHFFFAOYSA-N 1 2 304.243 3.428 20 5 DGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000102185106 193868024 /nfs/dbraw/zinc/86/80/24/193868024.db2.gz BKXGICSUPLCZMU-ZDUSSCGKSA-N 1 2 315.333 3.077 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000060846852 184156387 /nfs/dbraw/zinc/15/63/87/184156387.db2.gz NKISYZKWGQLOPB-UHFFFAOYSA-N 1 2 311.345 3.150 20 5 DGBDLO COc1cc(C)[nH+]c(COc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 ZINC000270130100 208189804 /nfs/dbraw/zinc/18/98/04/208189804.db2.gz MMTGYUXLOOAGRY-UHFFFAOYSA-N 1 2 316.313 3.088 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000283705379 285113673 /nfs/dbraw/zinc/11/36/73/285113673.db2.gz YTAIHDSNISYKTQ-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000283705379 285113675 /nfs/dbraw/zinc/11/36/75/285113675.db2.gz YTAIHDSNISYKTQ-KRWDZBQOSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000434612828 285153386 /nfs/dbraw/zinc/15/33/86/285153386.db2.gz XAYMPFHCYFEUHB-UHFFFAOYSA-N 1 2 302.305 3.129 20 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/nfs/dbraw/zinc/27/04/17/131270417.db2.gz GEGYRJPTGOYMLD-INIZCTEOSA-N 1 2 318.760 3.297 20 5 DGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287236178 131270419 /nfs/dbraw/zinc/27/04/19/131270419.db2.gz GEGYRJPTGOYMLD-INIZCTEOSA-N 1 2 318.760 3.297 20 5 DGBDLO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000595297231 400121468 /nfs/dbraw/zinc/12/14/68/400121468.db2.gz QKQAKNHDDSDMJX-UHFFFAOYSA-N 1 2 319.361 3.312 20 5 DGBDLO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000595297231 400121475 /nfs/dbraw/zinc/12/14/75/400121475.db2.gz QKQAKNHDDSDMJX-UHFFFAOYSA-N 1 2 319.361 3.312 20 5 DGBDLO Cc1noc(C[NH2+]C2(c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000595563475 400189300 /nfs/dbraw/zinc/18/93/00/400189300.db2.gz RFHKORSXZZVHGQ-UHFFFAOYSA-N 1 2 307.737 3.324 20 5 DGBDLO COc1c(C)cc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1C ZINC000595301801 400123660 /nfs/dbraw/zinc/12/36/60/400123660.db2.gz QCBOLAKZHLSXPF-UHFFFAOYSA-N 1 2 319.361 3.149 20 5 DGBDLO COc1c(C)cc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1C ZINC000595301801 400123663 /nfs/dbraw/zinc/12/36/63/400123663.db2.gz QCBOLAKZHLSXPF-UHFFFAOYSA-N 1 2 319.361 3.149 20 5 DGBDLO Cn1c(CCNc2ccc([N+](=O)[O-])cc2)[nH+]c2ccc(F)cc21 ZINC000091484248 400124153 /nfs/dbraw/zinc/12/41/53/400124153.db2.gz UYSSRBCPSHYBNS-UHFFFAOYSA-N 1 2 314.320 3.275 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1[N+](=O)[O-] ZINC000595317329 400124779 /nfs/dbraw/zinc/12/47/79/400124779.db2.gz GXMDZFBQLDZDCD-UHFFFAOYSA-N 1 2 317.345 3.009 20 5 DGBDLO Cc1noc(C[N@H+](Cc2cccc(O)c2)CC2CC2)c1[N+](=O)[O-] ZINC000595317329 400124781 /nfs/dbraw/zinc/12/47/81/400124781.db2.gz GXMDZFBQLDZDCD-UHFFFAOYSA-N 1 2 317.345 3.009 20 5 DGBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1-n1cc[nH+]c1 ZINC000091506308 400124870 /nfs/dbraw/zinc/12/48/70/400124870.db2.gz TYSIJHAKSDXDTH-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO Cc1noc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595317801 400125170 /nfs/dbraw/zinc/12/51/70/400125170.db2.gz DWQFUCUPROOBRO-AWEZNQCLSA-N 1 2 319.386 3.181 20 5 DGBDLO Cc1noc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595317801 400125174 /nfs/dbraw/zinc/12/51/74/400125174.db2.gz DWQFUCUPROOBRO-AWEZNQCLSA-N 1 2 319.386 3.181 20 5 DGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343340 400132532 /nfs/dbraw/zinc/13/25/32/400132532.db2.gz HBHIAEGURIHROY-HNNXBMFYSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343340 400132537 /nfs/dbraw/zinc/13/25/37/400132537.db2.gz HBHIAEGURIHROY-HNNXBMFYSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2[nH+]1 ZINC000010896158 400137665 /nfs/dbraw/zinc/13/76/65/400137665.db2.gz IJTOKQYUTBKLJC-UHFFFAOYSA-N 1 2 302.315 3.093 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2[nH+]1 ZINC000010896158 400137669 /nfs/dbraw/zinc/13/76/69/400137669.db2.gz IJTOKQYUTBKLJC-UHFFFAOYSA-N 1 2 302.315 3.093 20 5 DGBDLO Cc1noc(C[N@@H+]2CCc3ccccc3C2(C)C)c1[N+](=O)[O-] ZINC000595422949 400143966 /nfs/dbraw/zinc/14/39/66/400143966.db2.gz RKPSIPFZONLEAX-UHFFFAOYSA-N 1 2 301.346 3.185 20 5 DGBDLO Cc1noc(C[N@H+]2CCc3ccccc3C2(C)C)c1[N+](=O)[O-] ZINC000595422949 400143971 /nfs/dbraw/zinc/14/39/71/400143971.db2.gz RKPSIPFZONLEAX-UHFFFAOYSA-N 1 2 301.346 3.185 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(N[C@H]3CCCC[C@@H]3O)[nH+]c2)cc1 ZINC000600789129 400154302 /nfs/dbraw/zinc/15/43/02/400154302.db2.gz RHLONCGHDKBERB-HOTGVXAUSA-N 1 2 313.357 3.372 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1-c1ccc(NC[C@H]2CCCO2)[nH+]c1 ZINC000600789911 400155014 /nfs/dbraw/zinc/15/50/14/400155014.db2.gz OILUFXDHHZEIHQ-CYBMUJFWSA-N 1 2 317.320 3.387 20 5 DGBDLO COc1ccc(OCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000022044333 400198178 /nfs/dbraw/zinc/19/81/78/400198178.db2.gz NAKXGTISEYLKLS-UHFFFAOYSA-N 1 2 313.313 3.139 20 5 DGBDLO CC(=O)c1ccc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000022874898 400205070 /nfs/dbraw/zinc/20/50/70/400205070.db2.gz VFSHYCMXLAXFAH-UHFFFAOYSA-N 1 2 324.340 3.100 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000610487601 400262862 /nfs/dbraw/zinc/26/28/62/400262862.db2.gz NEOZBENUNREWTL-MRXNPFEDSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000610487601 400262867 /nfs/dbraw/zinc/26/28/67/400262867.db2.gz NEOZBENUNREWTL-MRXNPFEDSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821318 400271285 /nfs/dbraw/zinc/27/12/85/400271285.db2.gz DDCNHJFPXCXLJS-UHFFFAOYSA-N 1 2 320.364 3.125 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821318 400271288 /nfs/dbraw/zinc/27/12/88/400271288.db2.gz DDCNHJFPXCXLJS-UHFFFAOYSA-N 1 2 320.364 3.125 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595859164 400281868 /nfs/dbraw/zinc/28/18/68/400281868.db2.gz WXHLVHVVSFLTPT-LBPRGKRZSA-N 1 2 314.341 3.256 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595859164 400281873 /nfs/dbraw/zinc/28/18/73/400281873.db2.gz WXHLVHVVSFLTPT-LBPRGKRZSA-N 1 2 314.341 3.256 20 5 DGBDLO Cc1cccc2[nH+]c(CNc3cccc(F)c3[N+](=O)[O-])cn21 ZINC000068772185 400286570 /nfs/dbraw/zinc/28/65/70/400286570.db2.gz KOOYWBATYCZPBC-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595887701 400287365 /nfs/dbraw/zinc/28/73/65/400287365.db2.gz BEIAIWWXUXYWMJ-GXFFZTMASA-N 1 2 318.295 3.137 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595887701 400287369 /nfs/dbraw/zinc/28/73/69/400287369.db2.gz BEIAIWWXUXYWMJ-GXFFZTMASA-N 1 2 318.295 3.137 20 5 DGBDLO O=[N+]([O-])c1ccsc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596356798 400389902 /nfs/dbraw/zinc/38/99/02/400389902.db2.gz KPJNJYWELXFWCP-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC=CCC3)cs2)c1 ZINC000611521205 400415059 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O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CCO)c1ccccc1F ZINC000592161115 400617143 /nfs/dbraw/zinc/61/71/43/400617143.db2.gz NZHRKMBYMXZASP-OAHLLOKOSA-N 1 2 322.311 3.086 20 5 DGBDLO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000049056754 400663014 /nfs/dbraw/zinc/66/30/14/400663014.db2.gz UEPWQYMMOOVVNW-UHFFFAOYSA-N 1 2 309.416 3.040 20 5 DGBDLO CC(=O)c1ccc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000052338243 400727751 /nfs/dbraw/zinc/72/77/51/400727751.db2.gz QHCSFUNAMNFBSW-UHFFFAOYSA-N 1 2 314.345 3.107 20 5 DGBDLO Cc1cnc(NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000078655127 400817535 /nfs/dbraw/zinc/81/75/35/400817535.db2.gz SLEDPIWFNQMZIX-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO CO[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[C@@H]1C ZINC000599074242 400952383 /nfs/dbraw/zinc/95/23/83/400952383.db2.gz VFSBHDPHIIDZBZ-XHDPSFHLSA-N 1 2 301.346 3.004 20 5 DGBDLO C[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])Cn1cccn1 ZINC000599023046 400929343 /nfs/dbraw/zinc/92/93/43/400929343.db2.gz AFBGCCMCPMKLHQ-LBPRGKRZSA-N 1 2 311.345 3.088 20 5 DGBDLO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000599026367 400931940 /nfs/dbraw/zinc/93/19/40/400931940.db2.gz WEDHMSRAEAKBOK-LBPRGKRZSA-N 1 2 311.345 3.088 20 5 DGBDLO O=[N+]([O-])c1c(NCC2(O)CCCCC2)ccc2c[nH+]ccc21 ZINC000599031245 400933021 /nfs/dbraw/zinc/93/30/21/400933021.db2.gz NJXXSPFCGMBDKN-UHFFFAOYSA-N 1 2 301.346 3.250 20 5 DGBDLO CN(C[C@H]1CCCOC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599042073 400935587 /nfs/dbraw/zinc/93/55/87/400935587.db2.gz HQXJXNHRFUQHRW-GFCCVEGCSA-N 1 2 301.346 3.006 20 5 DGBDLO O=[N+]([O-])c1c(N[C@H]2CCC[C@H](CO)C2)ccc2c[nH+]ccc21 ZINC000599092973 400958864 /nfs/dbraw/zinc/95/88/64/400958864.db2.gz SJAUEOAIQAVEFP-AAEUAGOBSA-N 1 2 301.346 3.106 20 5 DGBDLO COCCC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599120245 400967409 /nfs/dbraw/zinc/96/74/09/400967409.db2.gz CHHUTUDVACAGHR-UHFFFAOYSA-N 1 2 315.373 3.396 20 5 DGBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccc(O)c1 ZINC000083202353 401114690 /nfs/dbraw/zinc/11/46/90/401114690.db2.gz CQVHLPXRGRWUSR-UHFFFAOYSA-N 1 2 313.313 3.074 20 5 DGBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccc(O)c1 ZINC000083202353 401114694 /nfs/dbraw/zinc/11/46/94/401114694.db2.gz CQVHLPXRGRWUSR-UHFFFAOYSA-N 1 2 313.313 3.074 20 5 DGBDLO CCOc1cccc(NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000358254824 286012439 /nfs/dbraw/zinc/01/24/39/286012439.db2.gz QGVNXSIBWWQDQH-UHFFFAOYSA-N 1 2 312.329 3.253 20 5 DGBDLO CCn1c2ccccc2[nH+]c1CCNc1ncccc1[N+](=O)[O-] ZINC000065947346 401286856 /nfs/dbraw/zinc/28/68/56/401286856.db2.gz YUUBMKDNTZOJAX-UHFFFAOYSA-N 1 2 311.345 3.014 20 5 DGBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000359506827 286322856 /nfs/dbraw/zinc/32/28/56/286322856.db2.gz JZHMDDNPVSKXPR-UHFFFAOYSA-N 1 2 304.350 3.118 20 5 DGBDLO CCOc1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000365190985 287108375 /nfs/dbraw/zinc/10/83/75/287108375.db2.gz IXPLGANDFYXGGH-AWEZNQCLSA-N 1 2 316.361 3.054 20 5 DGBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171614558 432152654 /nfs/dbraw/zinc/15/26/54/432152654.db2.gz QDIXTDFNYUCOIH-INIZCTEOSA-N 1 2 303.337 3.410 20 5 DGBDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171614558 432152655 /nfs/dbraw/zinc/15/26/55/432152655.db2.gz QDIXTDFNYUCOIH-INIZCTEOSA-N 1 2 303.337 3.410 20 5 DGBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000131428230 196167688 /nfs/dbraw/zinc/16/76/88/196167688.db2.gz FXAPIGQJCNNQMO-VIFPVBQESA-N 1 2 318.345 3.134 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000131428230 196167690 /nfs/dbraw/zinc/16/76/90/196167690.db2.gz FXAPIGQJCNNQMO-VIFPVBQESA-N 1 2 318.345 3.134 20 5 DGBDLO CC(C)[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000291146880 222172399 /nfs/dbraw/zinc/17/23/99/222172399.db2.gz OPPXCDMYUSXMGG-SNVBAGLBSA-N 1 2 318.362 3.132 20 5 DGBDLO COc1ccc2[nH+]c(C)nc(NCc3ccccc3[N+](=O)[O-])c2c1 ZINC000301961099 230005647 /nfs/dbraw/zinc/00/56/47/230005647.db2.gz MNRQLCKZMKTJAB-UHFFFAOYSA-N 1 2 324.340 3.467 20 5 DGBDLO O=[N+]([O-])c1ccsc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000302005642 230030848 /nfs/dbraw/zinc/03/08/48/230030848.db2.gz UWIZWYXMCDWEDC-UHFFFAOYSA-N 1 2 319.386 3.232 20 5 DGBDLO C[C@H]1CCC[C@]1(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413291558 230181061 /nfs/dbraw/zinc/18/10/61/230181061.db2.gz DZWCLOBGAJQNJI-ZBEGNZNMSA-N 1 2 301.346 3.106 20 5 DGBDLO Cc1cccc2[nH+]c(CNc3c4c(ccc3[N+](=O)[O-])NCC4)cn21 ZINC000302477336 230262577 /nfs/dbraw/zinc/26/25/77/230262577.db2.gz VQUGHMOHKGABNS-UHFFFAOYSA-N 1 2 323.356 3.131 20 5 DGBDLO COc1c(C)c[nH+]c(CN2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC000348252823 264375343 /nfs/dbraw/zinc/37/53/43/264375343.db2.gz FDFJYTZFNJTJBR-UHFFFAOYSA-N 1 2 313.357 3.178 20 5 DGBDLO CC(=O)c1ccc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000351853900 264837769 /nfs/dbraw/zinc/83/77/69/264837769.db2.gz PIJFZGKHIBGGLX-UHFFFAOYSA-N 1 2 310.313 3.057 20 5 DGBDLO CCn1nccc1C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352368769 265020666 /nfs/dbraw/zinc/02/06/66/265020666.db2.gz LIDPHUCENWYBGD-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO CCn1nccc1C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352368769 265020669 /nfs/dbraw/zinc/02/06/69/265020669.db2.gz LIDPHUCENWYBGD-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000353287945 265375396 /nfs/dbraw/zinc/37/53/96/265375396.db2.gz JWXQCZMIGSJWPV-UHFFFAOYSA-N 1 2 324.296 3.363 20 5 DGBDLO Cc1ccc(Cc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c[nH+]1 ZINC000355981466 266247651 /nfs/dbraw/zinc/24/76/51/266247651.db2.gz LVIZPKMVRQUNEU-UHFFFAOYSA-N 1 2 310.313 3.247 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)cc1[N+](=O)[O-] ZINC000191290506 432245068 /nfs/dbraw/zinc/24/50/68/432245068.db2.gz IEMIJINTGYAPIL-GFCCVEGCSA-N 1 2 317.393 3.101 20 5 DGBDLO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1csnn1 ZINC000414301405 278371627 /nfs/dbraw/zinc/37/16/27/278371627.db2.gz LZQMTDXEFNXHOQ-NOZJJQNGSA-N 1 2 304.375 3.175 20 5 DGBDLO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1csnn1 ZINC000414301407 279510500 /nfs/dbraw/zinc/51/05/00/279510500.db2.gz LZQMTDXEFNXHOQ-TVQRCGJNSA-N 1 2 304.375 3.175 20 5 DGBDLO CN(C)c1ccc(Nc2ccc3ncccc3c2[N+](=O)[O-])c[nH+]1 ZINC000112073579 431248015 /nfs/dbraw/zinc/24/80/15/431248015.db2.gz OMVTXZJQQFREJE-UHFFFAOYSA-N 1 2 309.329 3.348 20 5 DGBDLO C[C@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450830187 279971685 /nfs/dbraw/zinc/97/16/85/279971685.db2.gz NKHWSDRXLSNSKK-IINYFYTJSA-N 1 2 309.329 3.457 20 5 DGBDLO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339111918 280229512 /nfs/dbraw/zinc/22/95/12/280229512.db2.gz JCCOWZBQOCIOPV-NSHDSACASA-N 1 2 306.284 3.367 20 5 DGBDLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123153861 431856973 /nfs/dbraw/zinc/85/69/73/431856973.db2.gz ZSKJPKKLQLJZPG-AOOOYVTPSA-N 1 2 311.769 3.060 20 5 DGBDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123153861 431856975 /nfs/dbraw/zinc/85/69/75/431856975.db2.gz ZSKJPKKLQLJZPG-AOOOYVTPSA-N 1 2 311.769 3.060 20 5 DGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1F ZINC000125244383 431918843 /nfs/dbraw/zinc/91/88/43/431918843.db2.gz BFVJKZHPRPJVDE-UHFFFAOYSA-N 1 2 322.336 3.284 20 5 DGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1F ZINC000125244383 431918844 /nfs/dbraw/zinc/91/88/44/431918844.db2.gz BFVJKZHPRPJVDE-UHFFFAOYSA-N 1 2 322.336 3.284 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cn3ccccc3n2)C2CC2)c1 ZINC000153263652 432396151 /nfs/dbraw/zinc/39/61/51/432396151.db2.gz DSYDFPUVBARDDZ-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cn3ccccc3n2)C2CC2)c1 ZINC000153263652 432396157 /nfs/dbraw/zinc/39/61/57/432396157.db2.gz DSYDFPUVBARDDZ-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000175102159 432397362 /nfs/dbraw/zinc/39/73/62/432397362.db2.gz GNTQEAPLGWOKKM-RDJZCZTQSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000175102159 432397366 /nfs/dbraw/zinc/39/73/66/432397366.db2.gz GNTQEAPLGWOKKM-RDJZCZTQSA-N 1 2 320.389 3.137 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)cnc1NCCCCNc1cccc[nH+]1 ZINC000153679825 432432232 /nfs/dbraw/zinc/43/22/32/432432232.db2.gz KFDJCOXHUUTVBM-UHFFFAOYSA-N 1 2 321.768 3.342 20 5 DGBDLO Cc1cc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC000185553853 432510311 /nfs/dbraw/zinc/51/03/11/432510311.db2.gz PSBWAXMBQGZPOI-UHFFFAOYSA-N 1 2 320.736 3.273 20 5 DGBDLO C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185688245 432524035 /nfs/dbraw/zinc/52/40/35/432524035.db2.gz DKYZCMNMGWLTQG-RDTXWAMCSA-N 1 2 313.401 3.376 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)Cc1ccccn1 ZINC000177003790 432574514 /nfs/dbraw/zinc/57/45/14/432574514.db2.gz WPCKHDJOCPAIFE-UHFFFAOYSA-N 1 2 315.373 3.411 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)Cc1ccccn1 ZINC000177003790 432574517 /nfs/dbraw/zinc/57/45/17/432574517.db2.gz WPCKHDJOCPAIFE-UHFFFAOYSA-N 1 2 315.373 3.411 20 5 DGBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161821532 432799957 /nfs/dbraw/zinc/79/99/57/432799957.db2.gz IMTUVIQPTLTVMR-UHFFFAOYSA-N 1 2 322.324 3.166 20 5 DGBDLO Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000268272858 432860491 /nfs/dbraw/zinc/86/04/91/432860491.db2.gz OZPZZUPAXJHVLO-MLGOLLRUSA-N 1 2 300.362 3.187 20 5 DGBDLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000268177279 432852727 /nfs/dbraw/zinc/85/27/27/432852727.db2.gz HRTJTQTZQINMEW-UHFFFAOYSA-N 1 2 306.391 3.034 20 5 DGBDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC000289349206 432947228 /nfs/dbraw/zinc/94/72/28/432947228.db2.gz KPIDKLQKLKKTED-PRHODGIISA-N 1 2 319.188 3.104 20 5 DGBDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC000289349206 432947229 /nfs/dbraw/zinc/94/72/29/432947229.db2.gz KPIDKLQKLKKTED-PRHODGIISA-N 1 2 319.188 3.104 20 5 DGBDLO CCC[C@@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000296384249 432902761 /nfs/dbraw/zinc/90/27/61/432902761.db2.gz JTAHTHRFHKRVCA-CQSZACIVSA-N 1 2 317.393 3.467 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncc(Cl)s1 ZINC000349562303 432975852 /nfs/dbraw/zinc/97/58/52/432975852.db2.gz CSEURJRBLWGLBT-UHFFFAOYSA-N 1 2 313.766 3.003 20 5 DGBDLO CC(C)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332238338 432990458 /nfs/dbraw/zinc/99/04/58/432990458.db2.gz OKMZZWVXYSEYCI-AWEZNQCLSA-N 1 2 320.418 3.045 20 5 DGBDLO CC(C)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332238338 432990462 /nfs/dbraw/zinc/99/04/62/432990462.db2.gz OKMZZWVXYSEYCI-AWEZNQCLSA-N 1 2 320.418 3.045 20 5 DGBDLO CN(CC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000341233902 433000800 /nfs/dbraw/zinc/00/08/00/433000800.db2.gz BRUZOXKWZIAKQK-UHFFFAOYSA-N 1 2 317.364 3.302 20 5 DGBDLO CN(CC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000341233902 433000802 /nfs/dbraw/zinc/00/08/02/433000802.db2.gz BRUZOXKWZIAKQK-UHFFFAOYSA-N 1 2 317.364 3.302 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000349838852 433018329 /nfs/dbraw/zinc/01/83/29/433018329.db2.gz YRSHFOJIUBJSGQ-GHMZBOCLSA-N 1 2 305.334 3.393 20 5 DGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C)[nH+]c1C ZINC000280294399 433029638 /nfs/dbraw/zinc/02/96/38/433029638.db2.gz ZTTFCOKALVQLIT-UHFFFAOYSA-N 1 2 315.329 3.258 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1NCCc1[nH]c2ccccc2[nH+]1 ZINC000341341247 433032876 /nfs/dbraw/zinc/03/28/76/433032876.db2.gz JQHXCTRVZPZTJE-UHFFFAOYSA-N 1 2 300.293 3.265 20 5 DGBDLO C[C@@H]1C[C@H](CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413236162 433269105 /nfs/dbraw/zinc/26/91/05/433269105.db2.gz QIMSERVZLIPIEW-CHWSQXEVSA-N 1 2 315.373 3.760 20 5 DGBDLO C[C@H]1C[C@H](CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413236167 433265678 /nfs/dbraw/zinc/26/56/78/433265678.db2.gz QIMSERVZLIPIEW-QWHCGFSZSA-N 1 2 315.373 3.760 20 5 DGBDLO CCc1cc(N)nc(S[C@H](C)c2ccccc2[N+](=O)[O-])[nH+]1 ZINC000447785204 433276071 /nfs/dbraw/zinc/27/60/71/433276071.db2.gz ANVZLYLIAINAON-SECBINFHSA-N 1 2 304.375 3.383 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338322069 433292868 /nfs/dbraw/zinc/29/28/68/433292868.db2.gz SVPZUVJYYKQIND-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338322069 433292873 /nfs/dbraw/zinc/29/28/73/433292873.db2.gz SVPZUVJYYKQIND-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339129966 433376834 /nfs/dbraw/zinc/37/68/34/433376834.db2.gz HIPZORBAIJIDED-INIZCTEOSA-N 1 2 308.378 3.082 20 5 DGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000339065145 433338217 /nfs/dbraw/zinc/33/82/17/433338217.db2.gz ITIBSWSXRHPOAX-SECBINFHSA-N 1 2 308.284 3.429 20 5 DGBDLO CC(C)(C)[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000448366452 433396733 /nfs/dbraw/zinc/39/67/33/433396733.db2.gz LXHKFJSWIKZXLE-BVBGJJFLSA-N 1 2 304.390 3.355 20 5 DGBDLO CC(C)(C)[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000448366452 433396740 /nfs/dbraw/zinc/39/67/40/433396740.db2.gz LXHKFJSWIKZXLE-BVBGJJFLSA-N 1 2 304.390 3.355 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](CF)C2)o1 ZINC000414469907 433631851 /nfs/dbraw/zinc/63/18/51/433631851.db2.gz KIHIQNXZLVJGKM-ZDUSSCGKSA-N 1 2 320.320 3.025 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](CF)C2)o1 ZINC000414469907 433631861 /nfs/dbraw/zinc/63/18/61/433631861.db2.gz KIHIQNXZLVJGKM-ZDUSSCGKSA-N 1 2 320.320 3.025 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2[nH+]ccn2CCc2ccccc2)nc1 ZINC000301562267 433613453 /nfs/dbraw/zinc/61/34/53/433613453.db2.gz JIYMSUPZEYRYLD-UHFFFAOYSA-N 1 2 323.356 3.041 20 5 DGBDLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342459614 433706023 /nfs/dbraw/zinc/70/60/23/433706023.db2.gz VALJMEHAXVZGBV-HWPZZCPQSA-N 1 2 302.305 3.346 20 5 DGBDLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342459615 433706198 /nfs/dbraw/zinc/70/61/98/433706198.db2.gz VALJMEHAXVZGBV-MGPLVRAMSA-N 1 2 302.305 3.346 20 5 DGBDLO Cc1cc(NCc2ccncc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301823105 433740117 /nfs/dbraw/zinc/74/01/17/433740117.db2.gz HRFJIZKKGRGHNY-UHFFFAOYSA-N 1 2 321.340 3.367 20 5 DGBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352027817 433875498 /nfs/dbraw/zinc/87/54/98/433875498.db2.gz PGMJOFNAHLXQHA-BDAKNGLRSA-N 1 2 302.346 3.199 20 5 DGBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352027817 433875503 /nfs/dbraw/zinc/87/55/03/433875503.db2.gz PGMJOFNAHLXQHA-BDAKNGLRSA-N 1 2 302.346 3.199 20 5 DGBDLO Cc1ccc2[nH+]c(CNc3c4c(ccc3[N+](=O)[O-])NCC4)cn2c1 ZINC000436305113 433935046 /nfs/dbraw/zinc/93/50/46/433935046.db2.gz HVDSNLGMOZFMSI-UHFFFAOYSA-N 1 2 323.356 3.131 20 5 DGBDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000285537001 433982481 /nfs/dbraw/zinc/98/24/81/433982481.db2.gz FULUKNYFRDUQMF-OAHLLOKOSA-N 1 2 316.361 3.322 20 5 DGBDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000285537001 433982489 /nfs/dbraw/zinc/98/24/89/433982489.db2.gz FULUKNYFRDUQMF-OAHLLOKOSA-N 1 2 316.361 3.322 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1c(F)cncc1F ZINC000285833924 434081010 /nfs/dbraw/zinc/08/10/10/434081010.db2.gz WBYLXFVHCIPUCI-SECBINFHSA-N 1 2 323.299 3.127 20 5 DGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])on1 ZINC000505840101 294255887 /nfs/dbraw/zinc/25/58/87/294255887.db2.gz WKVNZAYTIADZCR-CQSZACIVSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])on1 ZINC000505840101 294255889 /nfs/dbraw/zinc/25/58/89/294255889.db2.gz WKVNZAYTIADZCR-CQSZACIVSA-N 1 2 305.309 3.367 20 5 DGBDLO CCc1cc(NC[C@@H]2C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507097886 294281934 /nfs/dbraw/zinc/28/19/34/294281934.db2.gz LFHLHVDEWRMNQT-YPMHNXCESA-N 1 2 312.373 3.104 20 5 DGBDLO Cc1cccc2ncc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])n21 ZINC000507157684 294285444 /nfs/dbraw/zinc/28/54/44/294285444.db2.gz BMXBZIPLMRAXST-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cc1cccc2ncc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])n21 ZINC000507157684 294285446 /nfs/dbraw/zinc/28/54/46/294285446.db2.gz BMXBZIPLMRAXST-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cc1cc(N[C@@H]2CC[C@@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340842876 434388524 /nfs/dbraw/zinc/38/85/24/434388524.db2.gz ABIPKLQOERFCMM-CHWSQXEVSA-N 1 2 316.336 3.085 20 5 DGBDLO C[C@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450830186 434427525 /nfs/dbraw/zinc/42/75/25/434427525.db2.gz NKHWSDRXLSNSKK-HZMBPMFUSA-N 1 2 309.329 3.457 20 5 DGBDLO C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000287831406 434463225 /nfs/dbraw/zinc/46/32/25/434463225.db2.gz LIMLETZHFGGHRH-FZMZJTMJSA-N 1 2 304.325 3.018 20 5 DGBDLO Cc1noc([C@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000348811196 434504748 /nfs/dbraw/zinc/50/47/48/434504748.db2.gz SCKKYFUWLFQYGN-IJVDHGTGSA-N 1 2 314.345 3.137 20 5 DGBDLO Cc1noc([C@H]2CCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000348811196 434504753 /nfs/dbraw/zinc/50/47/53/434504753.db2.gz SCKKYFUWLFQYGN-IJVDHGTGSA-N 1 2 314.345 3.137 20 5 DGBDLO CCN(CC)c1ccc(Nc2nccc(C)c2[N+](=O)[O-])c[nH+]1 ZINC000360268108 434563522 /nfs/dbraw/zinc/56/35/22/434563522.db2.gz ZSAWQNIUVRUABX-UHFFFAOYSA-N 1 2 301.350 3.283 20 5 DGBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000411133387 434729949 /nfs/dbraw/zinc/72/99/49/434729949.db2.gz MEAHZNRPIMMDRP-UHFFFAOYSA-N 1 2 320.370 3.075 20 5 DGBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000411133387 434729957 /nfs/dbraw/zinc/72/99/57/434729957.db2.gz MEAHZNRPIMMDRP-UHFFFAOYSA-N 1 2 320.370 3.075 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411955307 434847961 /nfs/dbraw/zinc/84/79/61/434847961.db2.gz VLWJOTBSLIYNST-DYVFJYSZSA-N 1 2 316.332 3.042 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411955307 434847964 /nfs/dbraw/zinc/84/79/64/434847964.db2.gz VLWJOTBSLIYNST-DYVFJYSZSA-N 1 2 316.332 3.042 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC2(CCC2)O1 ZINC000578354043 435077880 /nfs/dbraw/zinc/07/78/80/435077880.db2.gz HWYGHRJPTLVYMF-LLVKDONJSA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC2(CCC2)O1 ZINC000578354043 435077883 /nfs/dbraw/zinc/07/78/83/435077883.db2.gz HWYGHRJPTLVYMF-LLVKDONJSA-N 1 2 310.781 3.392 20 5 DGBDLO CCC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000534665343 435297177 /nfs/dbraw/zinc/29/71/77/435297177.db2.gz ZMLFRLOUKOLECY-MRXNPFEDSA-N 1 2 322.405 3.383 20 5 DGBDLO CCC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000534665343 435297184 /nfs/dbraw/zinc/29/71/84/435297184.db2.gz ZMLFRLOUKOLECY-MRXNPFEDSA-N 1 2 322.405 3.383 20 5 DGBDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511143347 435316220 /nfs/dbraw/zinc/31/62/20/435316220.db2.gz QLLZSDNLTFZMKB-CQSZACIVSA-N 1 2 322.405 3.189 20 5 DGBDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511143347 435316223 /nfs/dbraw/zinc/31/62/23/435316223.db2.gz QLLZSDNLTFZMKB-CQSZACIVSA-N 1 2 322.405 3.189 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(F)(F)C(F)F ZINC000483409398 435518688 /nfs/dbraw/zinc/51/86/88/435518688.db2.gz QKOOSRAUYMIHRQ-WEVVVXLNSA-N 1 2 306.259 3.488 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C)s2)cc1[N+](=O)[O-] ZINC000542811525 314100243 /nfs/dbraw/zinc/10/02/43/314100243.db2.gz MTVOXNBYRVXSJL-SECBINFHSA-N 1 2 322.390 3.004 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(F)cc3F)nc2c1 ZINC000562488773 315024145 /nfs/dbraw/zinc/02/41/45/315024145.db2.gz UQSLIKUAZYTDQZ-UHFFFAOYSA-N 1 2 318.283 3.039 20 5 DGBDLO COCc1nc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000565922520 315297439 /nfs/dbraw/zinc/29/74/39/315297439.db2.gz LGFKNXGXMVCUNT-LLVKDONJSA-N 1 2 321.402 3.357 20 5 DGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180436409 323229262 /nfs/dbraw/zinc/22/92/62/323229262.db2.gz RCQQPEYIXZUJHV-GFCCVEGCSA-N 1 2 324.340 3.496 20 5 DGBDLO C[C@@H]([NH2+]Cc1noc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180444325 323229303 /nfs/dbraw/zinc/22/93/03/323229303.db2.gz UDRZYFQGPYCZJH-GFCCVEGCSA-N 1 2 324.340 3.496 20 5 DGBDLO CCOC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000182016874 323279864 /nfs/dbraw/zinc/27/98/64/323279864.db2.gz HNNWKAQFNZVHJK-HNNXBMFYSA-N 1 2 308.378 3.004 20 5 DGBDLO CCOC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000182016874 323279867 /nfs/dbraw/zinc/27/98/67/323279867.db2.gz HNNWKAQFNZVHJK-HNNXBMFYSA-N 1 2 308.378 3.004 20 5 DGBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)S1 ZINC000580167093 323967020 /nfs/dbraw/zinc/96/70/20/323967020.db2.gz APUAXUGYEQYQNG-QWRGUYRKSA-N 1 2 303.387 3.473 20 5 DGBDLO C[C@H]1COCC[C@@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413298196 534037178 /nfs/dbraw/zinc/03/71/78/534037178.db2.gz SDDPIHKSDFIODT-WCQYABFASA-N 1 2 301.346 3.228 20 5 DGBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000339203806 521292429 /nfs/dbraw/zinc/29/24/29/521292429.db2.gz LKXXCWUOGWGWJK-CYBMUJFWSA-N 1 2 308.378 3.080 20 5 DGBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000339203806 521292431 /nfs/dbraw/zinc/29/24/31/521292431.db2.gz LKXXCWUOGWGWJK-CYBMUJFWSA-N 1 2 308.378 3.080 20 5 DGBDLO CC(C)(C)OC(=O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413160894 526360383 /nfs/dbraw/zinc/36/03/83/526360383.db2.gz MWJFECMRVVARSK-UHFFFAOYSA-N 1 2 317.345 3.287 20 5 DGBDLO CC(C)(CCCO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413218330 527021047 /nfs/dbraw/zinc/02/10/47/527021047.db2.gz APEUVLXECOILCP-UHFFFAOYSA-N 1 2 303.362 3.354 20 5 DGBDLO CCC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413211954 527789910 /nfs/dbraw/zinc/78/99/10/527789910.db2.gz QOTTVBPXZQQDRD-CQSZACIVSA-N 1 2 301.346 3.148 20 5 DGBDLO CCCC[N@H+](C)c1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000302152893 528374473 /nfs/dbraw/zinc/37/44/73/528374473.db2.gz LGXDUNYRBCIIHM-UHFFFAOYSA-N 1 2 301.350 3.365 20 5 DGBDLO CCCC[N@@H+](C)c1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000302152893 528374478 /nfs/dbraw/zinc/37/44/78/528374478.db2.gz LGXDUNYRBCIIHM-UHFFFAOYSA-N 1 2 301.350 3.365 20 5 DGBDLO CCCc1nc(C)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000428458703 528717431 /nfs/dbraw/zinc/71/74/31/528717431.db2.gz IMYPUXLTQKAJHU-UHFFFAOYSA-N 1 2 303.362 3.476 20 5 DGBDLO CCCc1nc(C)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000428458703 528717433 /nfs/dbraw/zinc/71/74/33/528717433.db2.gz IMYPUXLTQKAJHU-UHFFFAOYSA-N 1 2 303.362 3.476 20 5 DGBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000741969800 574978192 /nfs/dbraw/zinc/97/81/92/574978192.db2.gz LIHONVVBBJMQJG-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO Cc1noc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000852779165 620647859 /nfs/dbraw/zinc/64/78/59/620647859.db2.gz CHYFCZPZCPACJC-SNVBAGLBSA-N 1 2 317.345 3.067 20 5 DGBDLO CC[N@@H+](Cc1ccc2ccccc2c1)Cn1cc([N+](=O)[O-])cn1 ZINC000919953002 620773754 /nfs/dbraw/zinc/77/37/54/620773754.db2.gz BXXQVMAEWVXVES-UHFFFAOYSA-N 1 2 310.357 3.424 20 5 DGBDLO CC[N@H+](Cc1ccc2ccccc2c1)Cn1cc([N+](=O)[O-])cn1 ZINC000919953002 620773758 /nfs/dbraw/zinc/77/37/58/620773758.db2.gz BXXQVMAEWVXVES-UHFFFAOYSA-N 1 2 310.357 3.424 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895352690 618601213 /nfs/dbraw/zinc/60/12/13/618601213.db2.gz JZXIHKNZIZCGQE-UHFFFAOYSA-N 1 2 316.336 3.210 20 5 DGBDLO CCCn1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000902766830 619672991 /nfs/dbraw/zinc/67/29/91/619672991.db2.gz SHFYEMCGUGHSPX-RYUDHWBXSA-N 1 2 303.366 3.008 20 5 DGBDLO CCCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000902874129 619685259 /nfs/dbraw/zinc/68/52/59/619685259.db2.gz CHJYJWJNVXIISZ-QWHCGFSZSA-N 1 2 317.393 3.317 20 5 DGBDLO COc1cc([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000903097703 619719703 /nfs/dbraw/zinc/71/97/03/619719703.db2.gz IOEUMUWTIPDYOD-GFCCVEGCSA-N 1 2 318.377 3.232 20 5 DGBDLO CCCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000903288283 619754871 /nfs/dbraw/zinc/75/48/71/619754871.db2.gz VWWHPJWEODQRCG-VXGBXAGGSA-N 1 2 303.366 3.008 20 5 DGBDLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000852560178 620629476 /nfs/dbraw/zinc/62/94/76/620629476.db2.gz YTSPJUYWVWNJGY-PRHODGIISA-N 1 2 319.188 3.247 20 5 DGBDLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000852560178 620629477 /nfs/dbraw/zinc/62/94/77/620629477.db2.gz YTSPJUYWVWNJGY-PRHODGIISA-N 1 2 319.188 3.247 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccnc(F)c1)C1CC1 ZINC000859202304 621259532 /nfs/dbraw/zinc/25/95/32/621259532.db2.gz VIBHULMISZKTRP-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccnc(F)c1)C1CC1 ZINC000859202304 621259534 /nfs/dbraw/zinc/25/95/34/621259534.db2.gz VIBHULMISZKTRP-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000756129400 621617039 /nfs/dbraw/zinc/61/70/39/621617039.db2.gz XEEQXSXOMGVVBP-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000756129400 621617040 /nfs/dbraw/zinc/61/70/40/621617040.db2.gz XEEQXSXOMGVVBP-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[NH+](C3CC3)C3CC3)c2c1 ZINC000863303802 621661887 /nfs/dbraw/zinc/66/18/87/621661887.db2.gz BPBBXGBXBOIGOO-UHFFFAOYSA-N 1 2 305.359 3.456 20 5 DGBDLO O=[N+]([O-])c1cc(-c2nc(C3CCC3)no2)ccc1-n1cc[nH+]c1 ZINC000761644091 622022398 /nfs/dbraw/zinc/02/23/98/622022398.db2.gz SBRCDJJEGGUNJP-UHFFFAOYSA-N 1 2 311.301 3.098 20 5 DGBDLO O=C(C[N@@H+]1CCCC2(CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000770700101 622662290 /nfs/dbraw/zinc/66/22/90/622662290.db2.gz KNZUJJIXCCJFHY-UHFFFAOYSA-N 1 2 323.780 3.063 20 5 DGBDLO O=C(C[N@H+]1CCCC2(CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000770700101 622662293 /nfs/dbraw/zinc/66/22/93/622662293.db2.gz KNZUJJIXCCJFHY-UHFFFAOYSA-N 1 2 323.780 3.063 20 5 DGBDLO CCn1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)n1 ZINC000872078510 622793009 /nfs/dbraw/zinc/79/30/09/622793009.db2.gz IMBWYTOHOJSMRD-LLVKDONJSA-N 1 2 320.418 3.384 20 5 DGBDLO CCn1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)n1 ZINC000872078512 622793307 /nfs/dbraw/zinc/79/33/07/622793307.db2.gz IMBWYTOHOJSMRD-NSHDSACASA-N 1 2 320.418 3.384 20 5 DGBDLO CCOc1cc(OCc2cc[nH+]c(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000790292751 625630096 /nfs/dbraw/zinc/63/00/96/625630096.db2.gz BEYANZIIBKODHI-UHFFFAOYSA-N 1 2 317.345 3.034 20 5 DGBDLO CC[N@@H+](Cc1ccc(Cl)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779858658 623822596 /nfs/dbraw/zinc/82/25/96/623822596.db2.gz KQFLJUXLSVYVJI-UHFFFAOYSA-N 1 2 308.769 3.233 20 5 DGBDLO CC[N@H+](Cc1ccc(Cl)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779858658 623822604 /nfs/dbraw/zinc/82/26/04/623822604.db2.gz KQFLJUXLSVYVJI-UHFFFAOYSA-N 1 2 308.769 3.233 20 5 DGBDLO C[NH+](C)[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000780092386 623860546 /nfs/dbraw/zinc/86/05/46/623860546.db2.gz VGAAWCPOHJAYMI-AWEZNQCLSA-N 1 2 320.370 3.002 20 5 DGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(Cl)cs1 ZINC000877514744 623918420 /nfs/dbraw/zinc/91/84/20/623918420.db2.gz PQZFFFVTZPEEHP-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(Cl)cs1 ZINC000877514744 623918423 /nfs/dbraw/zinc/91/84/23/623918423.db2.gz PQZFFFVTZPEEHP-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO Cc1c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877554574 623938944 /nfs/dbraw/zinc/93/89/44/623938944.db2.gz KOLDXCPYVFUGNC-DLBZAZTESA-N 1 2 302.374 3.047 20 5 DGBDLO Cc1c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877554574 623938947 /nfs/dbraw/zinc/93/89/47/623938947.db2.gz KOLDXCPYVFUGNC-DLBZAZTESA-N 1 2 302.374 3.047 20 5 DGBDLO CCc1ccc(OCc2cc[nH+]c(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000782112711 624205573 /nfs/dbraw/zinc/20/55/73/624205573.db2.gz RODXMXCYIOMBAO-UHFFFAOYSA-N 1 2 301.346 3.197 20 5 DGBDLO NC(Cc1cccc(F)c1)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000783150403 624315523 /nfs/dbraw/zinc/31/55/23/624315523.db2.gz DEVIYFGELLDMMG-UHFFFAOYSA-N 1 2 321.283 3.114 20 5 DGBDLO CC(C)([NH2+]Cc1nccn1CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000878644408 624329275 /nfs/dbraw/zinc/32/92/75/624329275.db2.gz YSQJFCXEEGIYBZ-UHFFFAOYSA-N 1 2 324.331 3.081 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880047700 624766209 /nfs/dbraw/zinc/76/62/09/624766209.db2.gz WVVCGOFLJCYGCZ-MFKMUULPSA-N 1 2 318.295 3.309 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880047700 624766214 /nfs/dbraw/zinc/76/62/14/624766214.db2.gz WVVCGOFLJCYGCZ-MFKMUULPSA-N 1 2 318.295 3.309 20 5 DGBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880105453 624790087 /nfs/dbraw/zinc/79/00/87/624790087.db2.gz OAGOZXIZXOBXAL-JTQLQIEISA-N 1 2 306.753 3.197 20 5 DGBDLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000880444004 624957793 /nfs/dbraw/zinc/95/77/93/624957793.db2.gz PHDYMOGXVWTSHF-LDYMZIIASA-N 1 2 319.188 3.247 20 5 DGBDLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000880444004 624957796 /nfs/dbraw/zinc/95/77/96/624957796.db2.gz PHDYMOGXVWTSHF-LDYMZIIASA-N 1 2 319.188 3.247 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000801988128 626428673 /nfs/dbraw/zinc/42/86/73/626428673.db2.gz MKJFNAZYHOSOPE-JTQLQIEISA-N 1 2 306.696 3.062 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000801988128 626428675 /nfs/dbraw/zinc/42/86/75/626428675.db2.gz MKJFNAZYHOSOPE-JTQLQIEISA-N 1 2 306.696 3.062 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1O ZINC000809981979 626965120 /nfs/dbraw/zinc/96/51/20/626965120.db2.gz CLDOICFLKDEZLM-PRHODGIISA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1O ZINC000809981979 626965125 /nfs/dbraw/zinc/96/51/25/626965125.db2.gz CLDOICFLKDEZLM-PRHODGIISA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809976697 626965223 /nfs/dbraw/zinc/96/52/23/626965223.db2.gz JHEPYYDSSQWCKU-ZDUSSCGKSA-N 1 2 319.188 3.248 20 5 DGBDLO C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809976697 626965225 /nfs/dbraw/zinc/96/52/25/626965225.db2.gz JHEPYYDSSQWCKU-ZDUSSCGKSA-N 1 2 319.188 3.248 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]1CCO ZINC000809982115 626965308 /nfs/dbraw/zinc/96/53/08/626965308.db2.gz IXMZYJQXLBKOCX-NSHDSACASA-N 1 2 319.188 3.248 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1CCO ZINC000809982115 626965310 /nfs/dbraw/zinc/96/53/10/626965310.db2.gz IXMZYJQXLBKOCX-NSHDSACASA-N 1 2 319.188 3.248 20 5 DGBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886029964 627088910 /nfs/dbraw/zinc/08/89/10/627088910.db2.gz DRJNTGMFHOKLOU-HNNXBMFYSA-N 1 2 300.362 3.056 20 5 DGBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886029964 627088913 /nfs/dbraw/zinc/08/89/13/627088913.db2.gz DRJNTGMFHOKLOU-HNNXBMFYSA-N 1 2 300.362 3.056 20 5 DGBDLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccnc1[N+](=O)[O-])CCC2 ZINC000886064450 627097419 /nfs/dbraw/zinc/09/74/19/627097419.db2.gz FDKWTVWEJKNOED-ZDUSSCGKSA-N 1 2 318.402 3.264 20 5 DGBDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccnc1[N+](=O)[O-])CCC2 ZINC000886064450 627097422 /nfs/dbraw/zinc/09/74/22/627097422.db2.gz FDKWTVWEJKNOED-ZDUSSCGKSA-N 1 2 318.402 3.264 20 5 DGBDLO COC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000886176677 627117825 /nfs/dbraw/zinc/11/78/25/627117825.db2.gz IPOAKDGWHJRGJD-CQSZACIVSA-N 1 2 321.764 3.121 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000886192053 627119409 /nfs/dbraw/zinc/11/94/09/627119409.db2.gz FPVGQFXYAWKXGK-INIZCTEOSA-N 1 2 301.321 3.061 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000886192053 627119412 /nfs/dbraw/zinc/11/94/12/627119412.db2.gz FPVGQFXYAWKXGK-INIZCTEOSA-N 1 2 301.321 3.061 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1Cl ZINC000886247565 627126747 /nfs/dbraw/zinc/12/67/47/627126747.db2.gz VAHQWKWAIQJPKN-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1Cl ZINC000886247565 627126749 /nfs/dbraw/zinc/12/67/49/627126749.db2.gz VAHQWKWAIQJPKN-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000925497840 627742438 /nfs/dbraw/zinc/74/24/38/627742438.db2.gz ZGPKQGTVDHPSDZ-STQMWFEESA-N 1 2 317.393 3.487 20 5 DGBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825006176 628715456 /nfs/dbraw/zinc/71/54/56/628715456.db2.gz ZEJCGLVIDRCAOO-SNVBAGLBSA-N 1 2 308.769 3.315 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000844442805 630730295 /nfs/dbraw/zinc/73/02/95/630730295.db2.gz FHNBRWAUZHDNAG-ZDUSSCGKSA-N 1 2 318.270 3.494 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000844442805 630730297 /nfs/dbraw/zinc/73/02/97/630730297.db2.gz FHNBRWAUZHDNAG-ZDUSSCGKSA-N 1 2 318.270 3.494 20 5 DGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCCc1[nH+]cc(C)cc1C ZINC000848755959 631742328 /nfs/dbraw/zinc/74/23/28/631742328.db2.gz NWHJWCLCHNBQLC-UHFFFAOYSA-N 1 2 313.357 3.464 20 5 DGBDLO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1OC ZINC000851895767 632516787 /nfs/dbraw/zinc/51/67/87/632516787.db2.gz FGVAWQVPEFZVDX-GFCCVEGCSA-N 1 2 305.334 3.141 20 5 DGBDLO Cc1c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000051383337 655759342 /nfs/dbraw/zinc/75/93/42/655759342.db2.gz CGPQSHVGZHAOJC-UHFFFAOYSA-N 1 2 315.329 3.443 20 5 DGBDLO Cc1c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000051383337 655759343 /nfs/dbraw/zinc/75/93/43/655759343.db2.gz CGPQSHVGZHAOJC-UHFFFAOYSA-N 1 2 315.329 3.443 20 5 DGBDLO Cc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000179315420 655888635 /nfs/dbraw/zinc/88/86/35/655888635.db2.gz SYNNMANOKPWWNS-UHFFFAOYSA-N 1 2 315.329 3.443 20 5 DGBDLO Cc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000179315420 655888636 /nfs/dbraw/zinc/88/86/36/655888636.db2.gz SYNNMANOKPWWNS-UHFFFAOYSA-N 1 2 315.329 3.443 20 5 DGBDLO CCn1c[nH+]c2c1CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000933258091 661625864 /nfs/dbraw/zinc/62/58/64/661625864.db2.gz ASXFABWKKNVHEG-UHFFFAOYSA-N 1 2 320.780 3.023 20 5 DGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)c[nH+]cc2C)c1 ZINC001597676486 1192742932 /nfs/dbraw/zinc/74/29/32/1192742932.db2.gz GKJCDBWHBDTCIC-UHFFFAOYSA-N 1 2 317.370 3.003 20 5 DGBDLO C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC001598184926 1192765514 /nfs/dbraw/zinc/76/55/14/1192765514.db2.gz GRGXREGRJHRRDR-LLVKDONJSA-N 1 2 324.340 3.005 20 5 DGBDLO CC(C)c1[nH]cc(CNc2ncnc3sc([N+](=O)[O-])cc32)[nH+]1 ZINC001458636400 1182546049 /nfs/dbraw/zinc/54/60/49/1182546049.db2.gz GEZIBUHYJDVSRN-UHFFFAOYSA-N 1 2 318.362 3.058 20 5 DGBDLO CC(C)c1[nH]c(CNc2ncnc3sc([N+](=O)[O-])cc32)c[nH+]1 ZINC001458636400 1182546053 /nfs/dbraw/zinc/54/60/53/1182546053.db2.gz GEZIBUHYJDVSRN-UHFFFAOYSA-N 1 2 318.362 3.058 20 5 DGBDLO CC(C)(C(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1[N+](=O)[O-] ZINC001460692810 1182708851 /nfs/dbraw/zinc/70/88/51/1182708851.db2.gz WHNQSFYRLZAZMD-UHFFFAOYSA-N 1 2 324.340 3.159 20 5 DGBDLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001473486872 1183763811 /nfs/dbraw/zinc/76/38/11/1183763811.db2.gz SSWJXWPXESDNIE-HIFRSBDPSA-N 1 2 320.389 3.116 20 5 DGBDLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001473486872 1183763823 /nfs/dbraw/zinc/76/38/23/1183763823.db2.gz SSWJXWPXESDNIE-HIFRSBDPSA-N 1 2 320.389 3.116 20 5 DGBDLO Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001524075964 1187212939 /nfs/dbraw/zinc/21/29/39/1187212939.db2.gz NPBKOIXEPGQQNY-UHFFFAOYSA-N 1 2 323.308 3.308 20 5 DGBDLO CCc1cn(Cc2c(Br)cccc2[N+](=O)[O-])c[nH+]1 ZINC001559465944 1189207657 /nfs/dbraw/zinc/20/76/57/1189207657.db2.gz HCRXJVJWPSPWJL-UHFFFAOYSA-N 1 2 310.151 3.165 20 5 DGBDLO Cc1ccc([C@@H](C)NCc2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-] ZINC001560357800 1189317441 /nfs/dbraw/zinc/31/74/41/1189317441.db2.gz XNJDWBJNKUQIRE-CYBMUJFWSA-N 1 2 314.389 3.215 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cnccc2N(C)C)cc1[N+](=O)[O-] ZINC001560357800 1189317448 /nfs/dbraw/zinc/31/74/48/1189317448.db2.gz XNJDWBJNKUQIRE-CYBMUJFWSA-N 1 2 314.389 3.215 20 5 DGBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)cc1 ZINC001560876668 1189398367 /nfs/dbraw/zinc/39/83/67/1189398367.db2.gz VBNYKEKXFHJXBO-UHFFFAOYSA-N 1 2 323.352 3.339 20 5 DGBDLO CNc1cc(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC001640438261 1194813326 /nfs/dbraw/zinc/81/33/26/1194813326.db2.gz JFIAFRKCXQMOCV-UHFFFAOYSA-N 1 2 322.752 3.306 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCn3ccnc32)o1 ZINC001651114315 1195416034 /nfs/dbraw/zinc/41/60/34/1195416034.db2.gz YLXZTRXQWWKCFR-CQSZACIVSA-N 1 2 324.340 3.286 20 5 DGBDLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001652753078 1195647220 /nfs/dbraw/zinc/64/72/20/1195647220.db2.gz HKFZLVGAGSZTPQ-HOTGVXAUSA-N 1 2 322.405 3.326 20 5 DGBDLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001652753078 1195647222 /nfs/dbraw/zinc/64/72/22/1195647222.db2.gz HKFZLVGAGSZTPQ-HOTGVXAUSA-N 1 2 322.405 3.326 20 5 DGBDLO CCCn1c[nH+]cc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001657224516 1196121097 /nfs/dbraw/zinc/12/10/97/1196121097.db2.gz ZGVWCKGMHKUUDO-UHFFFAOYSA-N 1 2 314.389 3.366 20 5 DGBDLO Cc1cc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])ccc1Br ZINC001658449673 1196257977 /nfs/dbraw/zinc/25/79/77/1196257977.db2.gz CBJLAEFUQFBAPX-CYBMUJFWSA-N 1 2 313.195 3.171 20 5 DGBDLO Cc1cc([C@H]2CCC[N@H+]2CC[N+](=O)[O-])ccc1Br ZINC001658449673 1196257982 /nfs/dbraw/zinc/25/79/82/1196257982.db2.gz CBJLAEFUQFBAPX-CYBMUJFWSA-N 1 2 313.195 3.171 20 5 DGBDLO CCC1(CC)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC001658538702 1196271304 /nfs/dbraw/zinc/27/13/04/1196271304.db2.gz HXRVBYKSPSPMRP-XZJROXQQSA-N 1 2 322.405 3.230 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2Cc2ccc(F)cc2[N+](=O)[O-])[nH+]c1C ZINC001660122785 1196448029 /nfs/dbraw/zinc/44/80/29/1196448029.db2.gz PLTCDCUOZBTZIB-CQSZACIVSA-N 1 2 318.352 3.411 20 5 DGBDLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001660263773 1196463213 /nfs/dbraw/zinc/46/32/13/1196463213.db2.gz WSNVPHUYKFDVDA-CYBMUJFWSA-N 1 2 311.813 3.211 20 5 DGBDLO CCc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001664954285 1197080785 /nfs/dbraw/zinc/08/07/85/1197080785.db2.gz CACDDLWKJCFHKJ-UHFFFAOYSA-N 1 2 312.369 3.420 20 5 DGBDLO Cc1[nH+]cc(Nc2cc3nc4ccccc4nc3cc2N)cc1N ZINC001210288820 1081933470 /nfs/dbraw/zinc/93/34/70/1081933470.db2.gz WJSLWWHUCXIUEV-UHFFFAOYSA-N 1 2 316.368 3.394 20 5 DGBDLO Cc1cc([N+](=O)[O-])c(NCc2c[nH+]cn2C(C)C)nc1Cl ZINC001161562709 1089288869 /nfs/dbraw/zinc/28/88/69/1089288869.db2.gz AQCCPDKFCMYBIG-UHFFFAOYSA-N 1 2 309.757 3.341 20 5 DGBDLO CCCn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC001204472777 1090977422 /nfs/dbraw/zinc/97/74/22/1090977422.db2.gz ZDNWXYYBSSSPMQ-UHFFFAOYSA-N 1 2 302.378 3.142 20 5 DGBDLO CCCn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC001204472777 1090977425 /nfs/dbraw/zinc/97/74/25/1090977425.db2.gz ZDNWXYYBSSSPMQ-UHFFFAOYSA-N 1 2 302.378 3.142 20 5 DGBDLO Nc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC001209936013 1092987464 /nfs/dbraw/zinc/98/74/64/1092987464.db2.gz HZXLIHRLXXRADH-UHFFFAOYSA-N 1 2 309.329 3.165 20 5 DGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001336648011 1094685963 /nfs/dbraw/zinc/68/59/63/1094685963.db2.gz UCQPHWJVORILJF-VIFPVBQESA-N 1 2 314.267 3.311 20 5 DGBDLO CC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001173217853 1097368985 /nfs/dbraw/zinc/36/89/85/1097368985.db2.gz GUHHSXGOZGPVNC-WFASDCNBSA-N 1 2 322.405 3.236 20 5 DGBDLO CCOC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC001173234112 1097378344 /nfs/dbraw/zinc/37/83/44/1097378344.db2.gz MUZQNKHHWLGXBH-ZENOOKHLSA-N 1 2 322.405 3.093 20 5 DGBDLO COc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC001176360606 1098331854 /nfs/dbraw/zinc/33/18/54/1098331854.db2.gz TXPCDLJGEVUAID-UHFFFAOYSA-N 1 2 314.345 3.342 20 5 DGBDLO CCNc1ccc(Nc2ncnc3sc([N+](=O)[O-])cc32)c[nH+]1 ZINC001187921369 1099635440 /nfs/dbraw/zinc/63/54/40/1099635440.db2.gz SQHJRMRAJUVDMB-UHFFFAOYSA-N 1 2 316.346 3.170 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2Cc2cc(F)ccc2[N+](=O)[O-])[nH+]c1C ZINC001197710033 1101647842 /nfs/dbraw/zinc/64/78/42/1101647842.db2.gz CPGTXPPOJVTENR-HNNXBMFYSA-N 1 2 318.352 3.411 20 5 DGBDLO Cc1ncc([N+](=O)[O-])cc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001249547174 1105309884 /nfs/dbraw/zinc/30/98/84/1105309884.db2.gz VCTLXFWXPMYKFR-UHFFFAOYSA-N 1 2 303.709 3.343 20 5 DGBDLO CN(C)c1ccc(CNc2c(Cl)cccc2[N+](=O)[O-])c[nH+]1 ZINC000432327817 529782375 /nfs/dbraw/zinc/78/23/75/529782375.db2.gz VEADCXCBRRTRJY-UHFFFAOYSA-N 1 2 306.753 3.321 20 5 DGBDLO Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000292352546 223015170 /nfs/dbraw/zinc/01/51/70/223015170.db2.gz CDOJLHGBCKQDNZ-BDJLRTHQSA-N 1 2 318.352 3.326 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179862005 199089193 /nfs/dbraw/zinc/08/91/93/199089193.db2.gz SSFKTZQPHIDCQJ-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179862005 199089195 /nfs/dbraw/zinc/08/91/95/199089195.db2.gz SSFKTZQPHIDCQJ-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1[nH]cc[nH+]1 ZINC000276583267 212977704 /nfs/dbraw/zinc/97/77/04/212977704.db2.gz JQMNKFMEHNBOGT-LBPRGKRZSA-N 1 2 322.752 3.098 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cc2[nH+]1 ZINC000445251756 239399092 /nfs/dbraw/zinc/39/90/92/239399092.db2.gz RASYCGGNKNSNNC-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3c(C)cccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000445251756 239399099 /nfs/dbraw/zinc/39/90/99/239399099.db2.gz RASYCGGNKNSNNC-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO CC(C)OC(=O)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000449507154 240255821 /nfs/dbraw/zinc/25/58/21/240255821.db2.gz LRWLPXNXVUGWPL-GQSKFBFOSA-N 1 2 320.389 3.174 20 5 DGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452342234 241390464 /nfs/dbraw/zinc/39/04/64/241390464.db2.gz LJTIPHYBQGBVNL-UHFFFAOYSA-N 1 2 320.736 3.033 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cncc(F)c2)C2CC2)c1 ZINC000275151260 212154370 /nfs/dbraw/zinc/15/43/70/212154370.db2.gz SGZIEUWLTMGPDH-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cncc(F)c2)C2CC2)c1 ZINC000275151260 212154372 /nfs/dbraw/zinc/15/43/72/212154372.db2.gz SGZIEUWLTMGPDH-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO Cc1ccc2[nH+]cc(CN3CCc4ccc([N+](=O)[O-])cc4C3)n2c1 ZINC000093338434 193235031 /nfs/dbraw/zinc/23/50/31/193235031.db2.gz UYOSDIWMBIPRRZ-UHFFFAOYSA-N 1 2 322.368 3.109 20 5 DGBDLO Cc1cc(NC(C2CC2)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489277092 245287706 /nfs/dbraw/zinc/28/77/06/245287706.db2.gz MRDNXORRWJGDSK-UHFFFAOYSA-N 1 2 324.384 3.383 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](CCO)c1ccco1 ZINC000494639022 246173877 /nfs/dbraw/zinc/17/38/77/246173877.db2.gz TZUNKRAEBDIMFE-GFCCVEGCSA-N 1 2 310.737 3.055 20 5 DGBDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000120183708 195114085 /nfs/dbraw/zinc/11/40/85/195114085.db2.gz HSBSGTSQIGDCNE-UHFFFAOYSA-N 1 2 311.744 3.358 20 5 DGBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000120183708 195114087 /nfs/dbraw/zinc/11/40/87/195114087.db2.gz HSBSGTSQIGDCNE-UHFFFAOYSA-N 1 2 311.744 3.358 20 5 DGBDLO CCOC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000344880576 254312820 /nfs/dbraw/zinc/31/28/20/254312820.db2.gz BCOSVLCWMDFFQF-SOFGYWHQSA-N 1 2 318.373 3.026 20 5 DGBDLO CCOC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000344880576 254312822 /nfs/dbraw/zinc/31/28/22/254312822.db2.gz BCOSVLCWMDFFQF-SOFGYWHQSA-N 1 2 318.373 3.026 20 5 DGBDLO COC[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413138919 533137893 /nfs/dbraw/zinc/13/78/93/533137893.db2.gz NGJFPADLPWHSRV-LBPRGKRZSA-N 1 2 301.346 3.006 20 5 DGBDLO Cc1cc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000295899618 291930388 /nfs/dbraw/zinc/93/03/88/291930388.db2.gz CJTZXDQCKGACIO-CQSZACIVSA-N 1 2 300.362 3.224 20 5 DGBDLO Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000295017336 224382213 /nfs/dbraw/zinc/38/22/13/224382213.db2.gz QCJJIHFVGYBPKR-UHFFFAOYSA-N 1 2 304.325 3.064 20 5 DGBDLO C[NH2+]c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000600677607 400126852 /nfs/dbraw/zinc/12/68/52/400126852.db2.gz HRCCJWVATFFNCJ-UHFFFAOYSA-N 1 2 315.329 3.020 20 5 DGBDLO Cc1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2[nH+]1 ZINC000010896071 400138068 /nfs/dbraw/zinc/13/80/68/400138068.db2.gz ZCQUAHWDOKCEHJ-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO Cc1[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2[nH+]1 ZINC000010896071 400138070 /nfs/dbraw/zinc/13/80/70/400138070.db2.gz ZCQUAHWDOKCEHJ-UHFFFAOYSA-N 1 2 310.313 3.340 20 5 DGBDLO Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc(C)n1 ZINC000595386164 400138132 /nfs/dbraw/zinc/13/81/32/400138132.db2.gz AIKYIUQUIRJSRF-UHFFFAOYSA-N 1 2 312.373 3.166 20 5 DGBDLO Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc(C)n1 ZINC000595386164 400138135 /nfs/dbraw/zinc/13/81/35/400138135.db2.gz AIKYIUQUIRJSRF-UHFFFAOYSA-N 1 2 312.373 3.166 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000067033523 400138784 /nfs/dbraw/zinc/13/87/84/400138784.db2.gz ZJSDNMLMOOFPRF-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO Cc1nc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)o1 ZINC000595403950 400140648 /nfs/dbraw/zinc/14/06/48/400140648.db2.gz KFNPHCNGXPWRFT-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO Cc1nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)o1 ZINC000595403950 400140653 /nfs/dbraw/zinc/14/06/53/400140653.db2.gz KFNPHCNGXPWRFT-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO Cc1noc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000595417983 400142759 /nfs/dbraw/zinc/14/27/59/400142759.db2.gz MMFWPGMZAWPYIZ-UHFFFAOYSA-N 1 2 311.288 3.194 20 5 DGBDLO Cc1noc(C[N@@H+]2CCc3c(C)cc(C)cc3C2)c1[N+](=O)[O-] ZINC000595449606 400155073 /nfs/dbraw/zinc/15/50/73/400155073.db2.gz PEAZWMCDDFJCJG-UHFFFAOYSA-N 1 2 301.346 3.066 20 5 DGBDLO Cc1noc(C[N@H+]2CCc3c(C)cc(C)cc3C2)c1[N+](=O)[O-] ZINC000595449606 400155074 /nfs/dbraw/zinc/15/50/74/400155074.db2.gz PEAZWMCDDFJCJG-UHFFFAOYSA-N 1 2 301.346 3.066 20 5 DGBDLO Cc1noc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000595492416 400167721 /nfs/dbraw/zinc/16/77/21/400167721.db2.gz HILXVVMBWDZRAU-ZJUUUORDSA-N 1 2 321.299 3.444 20 5 DGBDLO Cc1noc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000595492416 400167723 /nfs/dbraw/zinc/16/77/23/400167723.db2.gz HILXVVMBWDZRAU-ZJUUUORDSA-N 1 2 321.299 3.444 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000595504708 400171217 /nfs/dbraw/zinc/17/12/17/400171217.db2.gz HKSHCAZBCSOUQR-HNNXBMFYSA-N 1 2 308.353 3.125 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000595504708 400171222 /nfs/dbraw/zinc/17/12/22/400171222.db2.gz HKSHCAZBCSOUQR-HNNXBMFYSA-N 1 2 308.353 3.125 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2n1C ZINC000610310334 400240194 /nfs/dbraw/zinc/24/01/94/400240194.db2.gz RCZMWVSOEDPLBI-UHFFFAOYSA-N 1 2 310.313 3.042 20 5 DGBDLO CCOc1cc(N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000092666283 400191387 /nfs/dbraw/zinc/19/13/87/400191387.db2.gz CJNKTLWGLDRDDG-AWEZNQCLSA-N 1 2 316.361 3.448 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)c2ncccc12 ZINC000024058463 400215929 /nfs/dbraw/zinc/21/59/29/400215929.db2.gz WEZLPVMAMVRHBE-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO CC[N@H+](Cc1ccoc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000102409153 400297960 /nfs/dbraw/zinc/29/79/60/400297960.db2.gz FWAJFCCJDOUIHR-UHFFFAOYSA-N 1 2 318.329 3.076 20 5 DGBDLO CC[N@@H+](Cc1ccoc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000102409153 400297964 /nfs/dbraw/zinc/29/79/64/400297964.db2.gz FWAJFCCJDOUIHR-UHFFFAOYSA-N 1 2 318.329 3.076 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029147465 400299024 /nfs/dbraw/zinc/29/90/24/400299024.db2.gz NVUGZIOGFDVWTE-UHFFFAOYSA-N 1 2 316.336 3.341 20 5 DGBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093845296 400259678 /nfs/dbraw/zinc/25/96/78/400259678.db2.gz GQJPRYMIEFLBFS-KRWDZBQOSA-N 1 2 315.373 3.366 20 5 DGBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093845296 400259680 /nfs/dbraw/zinc/25/96/80/400259680.db2.gz GQJPRYMIEFLBFS-KRWDZBQOSA-N 1 2 315.373 3.366 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)Nc1ccccc1 ZINC000072561928 400389177 /nfs/dbraw/zinc/38/91/77/400389177.db2.gz MDHLTSSBGZHJSI-CYBMUJFWSA-N 1 2 313.357 3.226 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000072561928 400389185 /nfs/dbraw/zinc/38/91/85/400389185.db2.gz MDHLTSSBGZHJSI-CYBMUJFWSA-N 1 2 313.357 3.226 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596358651 400390921 /nfs/dbraw/zinc/39/09/21/400390921.db2.gz ZAZYTWDJQGZDKT-UHFFFAOYSA-N 1 2 316.336 3.341 20 5 DGBDLO Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])s1 ZINC000596157922 400335198 /nfs/dbraw/zinc/33/51/98/400335198.db2.gz JZILZLJDSWRYAI-ZWNOBZJWSA-N 1 2 306.391 3.249 20 5 DGBDLO O=[N+]([O-])c1cccc2c1nccc2N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590079853 400353548 /nfs/dbraw/zinc/35/35/48/400353548.db2.gz NBNJZPWPEDCXES-ZDUSSCGKSA-N 1 2 323.356 3.181 20 5 DGBDLO CCn1cc[nH+]c1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596249995 400360335 /nfs/dbraw/zinc/36/03/35/400360335.db2.gz FAIITYFRCUTMSC-UHFFFAOYSA-N 1 2 310.741 3.085 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000611265424 400368028 /nfs/dbraw/zinc/36/80/28/400368028.db2.gz NAAUBADJLXBCNN-INIZCTEOSA-N 1 2 314.341 3.343 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000611265424 400368031 /nfs/dbraw/zinc/36/80/31/400368031.db2.gz NAAUBADJLXBCNN-INIZCTEOSA-N 1 2 314.341 3.343 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])cc1F ZINC000590754531 400428565 /nfs/dbraw/zinc/42/85/65/400428565.db2.gz FMGHLMGAMNPSEC-UHFFFAOYSA-N 1 2 319.336 3.078 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])cc1F ZINC000590754531 400428566 /nfs/dbraw/zinc/42/85/66/400428566.db2.gz FMGHLMGAMNPSEC-UHFFFAOYSA-N 1 2 319.336 3.078 20 5 DGBDLO Cc1cnc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000602640408 400521110 /nfs/dbraw/zinc/52/11/10/400521110.db2.gz NMFILEXOYPSYOX-UHFFFAOYSA-N 1 2 315.251 3.200 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000597238879 400597011 /nfs/dbraw/zinc/59/70/11/400597011.db2.gz GJGHRRKYQUMSHO-ZDUSSCGKSA-N 1 2 318.295 3.056 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000597238879 400597014 /nfs/dbraw/zinc/59/70/14/400597014.db2.gz GJGHRRKYQUMSHO-ZDUSSCGKSA-N 1 2 318.295 3.056 20 5 DGBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000597269644 400603567 /nfs/dbraw/zinc/60/35/67/400603567.db2.gz VXDZFJMMCKYSST-JYRVWZFOSA-N 1 2 312.373 3.170 20 5 DGBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCCc2[nH]ncc2C1 ZINC000597269644 400603573 /nfs/dbraw/zinc/60/35/73/400603573.db2.gz VXDZFJMMCKYSST-JYRVWZFOSA-N 1 2 312.373 3.170 20 5 DGBDLO CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000076799591 400673077 /nfs/dbraw/zinc/67/30/77/400673077.db2.gz MIYBPRCZLWCQHJ-UHFFFAOYSA-N 1 2 300.362 3.448 20 5 DGBDLO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000159414415 400728675 /nfs/dbraw/zinc/72/86/75/400728675.db2.gz YRKQLWNCTYPICU-SSDOTTSWSA-N 1 2 311.139 3.254 20 5 DGBDLO C[C@H](O)CC(C)(C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599050379 400939988 /nfs/dbraw/zinc/93/99/88/400939988.db2.gz MEFTUFBHLJPCGJ-NSHDSACASA-N 1 2 303.362 3.352 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000599058086 400942558 /nfs/dbraw/zinc/94/25/58/400942558.db2.gz ITKYUQCXLNACHK-KGLIPLIRSA-N 1 2 313.357 3.006 20 5 DGBDLO CO[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1(C)C ZINC000599063559 400944282 /nfs/dbraw/zinc/94/42/82/400944282.db2.gz ZVSILKCYTFEGJM-UONOGXRCSA-N 1 2 301.346 3.368 20 5 DGBDLO CC(C)(CCCO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599063190 400944352 /nfs/dbraw/zinc/94/43/52/400944352.db2.gz YNQUSWLFXJLZAD-UHFFFAOYSA-N 1 2 303.362 3.354 20 5 DGBDLO Cn1c[nH+]c(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000619743234 400896359 /nfs/dbraw/zinc/89/63/59/400896359.db2.gz MGWLLDKFFMDWTF-YVLHZVERSA-N 1 2 306.325 3.312 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC2(CCOC2)CC1 ZINC000599074007 400952745 /nfs/dbraw/zinc/95/27/45/400952745.db2.gz IUTJEKDOBKAMDU-UHFFFAOYSA-N 1 2 313.357 3.150 20 5 DGBDLO C[C@H]1COCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599081281 400953943 /nfs/dbraw/zinc/95/39/43/400953943.db2.gz KYMKDSGWRCXSBL-RYUDHWBXSA-N 1 2 301.346 3.228 20 5 DGBDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000599166495 400983845 /nfs/dbraw/zinc/98/38/45/400983845.db2.gz YTLXZNPXZCJOKS-RSQPEXBXSA-N 1 2 301.346 3.367 20 5 DGBDLO Cc1n[nH]c(C)c1CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599087286 400957231 /nfs/dbraw/zinc/95/72/31/400957231.db2.gz HYJYZONHKPPNQO-UHFFFAOYSA-N 1 2 311.345 3.138 20 5 DGBDLO CC1CCC(O)(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599111725 400963708 /nfs/dbraw/zinc/96/37/08/400963708.db2.gz QLNQDKRUVGMQFA-UHFFFAOYSA-N 1 2 315.373 3.496 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000599686985 401116024 /nfs/dbraw/zinc/11/60/24/401116024.db2.gz IGIIWKHTOLSTHQ-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000599686985 401116029 /nfs/dbraw/zinc/11/60/29/401116029.db2.gz IGIIWKHTOLSTHQ-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO CSc1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000186919684 165065760 /nfs/dbraw/zinc/06/57/60/165065760.db2.gz UOVOQLNKCYKEIW-UHFFFAOYSA-N 1 2 303.343 3.272 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000365443657 287132575 /nfs/dbraw/zinc/13/25/75/287132575.db2.gz OTIQNEXGKMNLOS-XMHCIUCPSA-N 1 2 324.446 3.061 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000365443657 287132576 /nfs/dbraw/zinc/13/25/76/287132576.db2.gz OTIQNEXGKMNLOS-XMHCIUCPSA-N 1 2 324.446 3.061 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000134013212 292585763 /nfs/dbraw/zinc/58/57/63/292585763.db2.gz HZCQCUYUIREKMK-IUODEOHRSA-N 1 2 300.362 3.187 20 5 DGBDLO Cc1nc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)ncc1[N+](=O)[O-] ZINC000297541034 227279055 /nfs/dbraw/zinc/27/90/55/227279055.db2.gz PZRMKYMHJVDFIB-UHFFFAOYSA-N 1 2 324.344 3.201 20 5 DGBDLO C[C@@H](O)CC(C)(C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413170281 230144717 /nfs/dbraw/zinc/14/47/17/230144717.db2.gz ZAMQFJGFDUOWAE-LLVKDONJSA-N 1 2 303.362 3.352 20 5 DGBDLO Cn1c[nH+]c2cc(Nc3ncnc4cccc([N+](=O)[O-])c43)ccc21 ZINC000347416730 264217829 /nfs/dbraw/zinc/21/78/29/264217829.db2.gz SVMPIQLRGKEOKF-UHFFFAOYSA-N 1 2 320.312 3.168 20 5 DGBDLO COc1cc(C[N@@H+]2CCc3c(F)cccc3C2)ccc1[N+](=O)[O-] ZINC000352770723 265159530 /nfs/dbraw/zinc/15/95/30/265159530.db2.gz TZUYFNSUALDMMM-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cc(C[N@H+]2CCc3c(F)cccc3C2)ccc1[N+](=O)[O-] ZINC000352770723 265159531 /nfs/dbraw/zinc/15/95/31/265159531.db2.gz TZUYFNSUALDMMM-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO Cn1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000352928164 265233890 /nfs/dbraw/zinc/23/38/90/265233890.db2.gz LPVFYEKSDVJOHG-GOSISDBHSA-N 1 2 322.368 3.208 20 5 DGBDLO Cc1ccc(C)c([C@@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000355328655 266040708 /nfs/dbraw/zinc/04/07/08/266040708.db2.gz IOPPAOLFWVIQHV-CYBMUJFWSA-N 1 2 302.378 3.138 20 5 DGBDLO Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000355328655 266040710 /nfs/dbraw/zinc/04/07/10/266040710.db2.gz IOPPAOLFWVIQHV-CYBMUJFWSA-N 1 2 302.378 3.138 20 5 DGBDLO Cc1cc(-c2nc(Cc3ccc(C)[nH+]c3)no2)cc([N+](=O)[O-])c1 ZINC000356178818 266309384 /nfs/dbraw/zinc/30/93/84/266309384.db2.gz WCJJUYFXOAJFMQ-UHFFFAOYSA-N 1 2 310.313 3.247 20 5 DGBDLO COc1c(C)[nH+]c(C2CC2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000518217402 429414858 /nfs/dbraw/zinc/41/48/58/429414858.db2.gz QZNXLSBHQBHJIP-UHFFFAOYSA-N 1 2 314.345 3.191 20 5 DGBDLO CC(C)Oc1nc(N[C@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000518396274 429420981 /nfs/dbraw/zinc/42/09/81/429420981.db2.gz BQWPLJHVOAHNBC-ZDUSSCGKSA-N 1 2 319.365 3.309 20 5 DGBDLO CO[C@@](C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413315975 277317403 /nfs/dbraw/zinc/31/74/03/277317403.db2.gz WEYHFCCVQBSYIH-INIZCTEOSA-N 1 2 301.346 3.370 20 5 DGBDLO COc1ccc(CNc2cc[nH+]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000610515133 430564825 /nfs/dbraw/zinc/56/48/25/430564825.db2.gz VHSDFVNZKBCPFT-UHFFFAOYSA-N 1 2 316.361 3.303 20 5 DGBDLO CC(=O)c1ccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000267287985 278246674 /nfs/dbraw/zinc/24/66/74/278246674.db2.gz QNCLTJGNLHJWMM-CQSZACIVSA-N 1 2 314.345 3.252 20 5 DGBDLO C[C@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)c2nccn21 ZINC000413314248 279972236 /nfs/dbraw/zinc/97/22/36/279972236.db2.gz IYTKXOUXLMSTBU-IINYFYTJSA-N 1 2 309.329 3.457 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000077170862 431569966 /nfs/dbraw/zinc/56/99/66/431569966.db2.gz YYJWTVHYUBLXNB-OAHLLOKOSA-N 1 2 301.346 3.269 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000077170862 431569976 /nfs/dbraw/zinc/56/99/76/431569976.db2.gz YYJWTVHYUBLXNB-OAHLLOKOSA-N 1 2 301.346 3.269 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117795368 431578684 /nfs/dbraw/zinc/57/86/84/431578684.db2.gz YNTDURFHMWYYBH-UHFFFAOYSA-N 1 2 305.721 3.133 20 5 DGBDLO Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000122455414 431834100 /nfs/dbraw/zinc/83/41/00/431834100.db2.gz SUFOPPQPAOGZEU-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(C)o1 ZINC000272351935 432487247 /nfs/dbraw/zinc/48/72/47/432487247.db2.gz VGGGEUBFIQTLCZ-CQSZACIVSA-N 1 2 308.309 3.113 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000273663259 432624323 /nfs/dbraw/zinc/62/43/23/432624323.db2.gz YANWWMXFMDVNBC-SSDOTTSWSA-N 1 2 312.782 3.259 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2cccs2)c([N+](=O)[O-])cc1F ZINC000274219589 432639900 /nfs/dbraw/zinc/63/99/00/432639900.db2.gz NGNKUELJJADISX-UHFFFAOYSA-N 1 2 310.350 3.436 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2cccs2)c([N+](=O)[O-])cc1F ZINC000274219589 432639904 /nfs/dbraw/zinc/63/99/04/432639904.db2.gz NGNKUELJJADISX-UHFFFAOYSA-N 1 2 310.350 3.436 20 5 DGBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000274261476 432644330 /nfs/dbraw/zinc/64/43/30/432644330.db2.gz UWJQFFPDHYLPAK-VHSXEESVSA-N 1 2 306.391 3.475 20 5 DGBDLO CO[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000276367074 432800623 /nfs/dbraw/zinc/80/06/23/432800623.db2.gz WOVAYZYGDRCIJQ-RYUDHWBXSA-N 1 2 316.361 3.196 20 5 DGBDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000268239266 432857270 /nfs/dbraw/zinc/85/72/70/432857270.db2.gz MQOVAHSHAJFBEJ-UHFFFAOYSA-N 1 2 316.386 3.244 20 5 DGBDLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000268239266 432857272 /nfs/dbraw/zinc/85/72/72/432857272.db2.gz MQOVAHSHAJFBEJ-UHFFFAOYSA-N 1 2 316.386 3.244 20 5 DGBDLO CCC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000296450585 432910208 /nfs/dbraw/zinc/91/02/08/432910208.db2.gz MSJVOTPSTWLEJG-AWEZNQCLSA-N 1 2 315.377 3.221 20 5 DGBDLO CC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289410869 432956502 /nfs/dbraw/zinc/95/65/02/432956502.db2.gz UUKIJPOQTMWDSD-UHFFFAOYSA-N 1 2 319.188 3.248 20 5 DGBDLO Cn1cc([C@H]2CCCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000331691366 432960376 /nfs/dbraw/zinc/96/03/76/432960376.db2.gz YTIXDBMVNJISRN-CYBMUJFWSA-N 1 2 306.391 3.117 20 5 DGBDLO Cn1cc([C@H]2CCCC[N@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000331691366 432960379 /nfs/dbraw/zinc/96/03/79/432960379.db2.gz YTIXDBMVNJISRN-CYBMUJFWSA-N 1 2 306.391 3.117 20 5 DGBDLO Cc1[nH+]c2ccccn2c1COc1c(Cl)cncc1[N+](=O)[O-] ZINC000349918785 433034251 /nfs/dbraw/zinc/03/42/51/433034251.db2.gz BROJKRHHQNLCML-UHFFFAOYSA-N 1 2 318.720 3.178 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccncc3)nc2c1 ZINC000361262112 433068793 /nfs/dbraw/zinc/06/87/93/433068793.db2.gz RDFRCPGUFRCTRL-MRXNPFEDSA-N 1 2 323.356 3.203 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccncc3)nc2c1 ZINC000361262112 433068807 /nfs/dbraw/zinc/06/88/07/433068807.db2.gz RDFRCPGUFRCTRL-MRXNPFEDSA-N 1 2 323.356 3.203 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3ccccn3)CC2)cs1 ZINC000350553381 433203865 /nfs/dbraw/zinc/20/38/65/433203865.db2.gz DRKDLLGTUBEFPR-UHFFFAOYSA-N 1 2 319.386 3.095 20 5 DGBDLO CCC[C@H](CC)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801376 433284735 /nfs/dbraw/zinc/28/47/35/433284735.db2.gz BZNGOHGZGVWHAH-HNNXBMFYSA-N 1 2 321.421 3.418 20 5 DGBDLO CC[C@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](CC)O1 ZINC000420947497 433345139 /nfs/dbraw/zinc/34/51/39/433345139.db2.gz CTZJKWDWCPNWKN-STQMWFEESA-N 1 2 319.361 3.125 20 5 DGBDLO CC(C)(C)[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000448366454 433401148 /nfs/dbraw/zinc/40/11/48/433401148.db2.gz LXHKFJSWIKZXLE-IOBAAEILSA-N 1 2 304.390 3.355 20 5 DGBDLO CC(C)(C)[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000448366454 433401161 /nfs/dbraw/zinc/40/11/61/433401161.db2.gz LXHKFJSWIKZXLE-IOBAAEILSA-N 1 2 304.390 3.355 20 5 DGBDLO O=[N+]([O-])c1cnc(Sc2[nH+]cc3ccccn32)c(Cl)c1 ZINC000301271795 433480038 /nfs/dbraw/zinc/48/00/38/433480038.db2.gz KIUWWFPZFIYYIF-UHFFFAOYSA-N 1 2 306.734 3.442 20 5 DGBDLO Cc1c[nH+]cc(CCc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c1 ZINC000426462232 433501049 /nfs/dbraw/zinc/50/10/49/433501049.db2.gz QKRYXIMLZUGWCL-UHFFFAOYSA-N 1 2 324.340 3.442 20 5 DGBDLO CC(C)(C)c1nc(NCCNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000301429866 433549589 /nfs/dbraw/zinc/54/95/89/433549589.db2.gz FYCKFUJLXASVAD-UHFFFAOYSA-N 1 2 315.377 3.206 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](CF)C3)o2)cc1 ZINC000414471897 433642303 /nfs/dbraw/zinc/64/23/03/433642303.db2.gz QFGKWHRTASCMMV-HNNXBMFYSA-N 1 2 320.320 3.025 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](CF)C3)o2)cc1 ZINC000414471897 433642318 /nfs/dbraw/zinc/64/23/18/433642318.db2.gz QFGKWHRTASCMMV-HNNXBMFYSA-N 1 2 320.320 3.025 20 5 DGBDLO O=[N+]([O-])c1ccccc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000301539850 433603062 /nfs/dbraw/zinc/60/30/62/433603062.db2.gz NRTIMDUDRAPGTQ-UHFFFAOYSA-N 1 2 300.293 3.265 20 5 DGBDLO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044364 293151784 /nfs/dbraw/zinc/15/17/84/293151784.db2.gz BSZUGXHIKSLUCB-CYBMUJFWSA-N 1 2 318.377 3.211 20 5 DGBDLO CCc1ccc([C@H]2CCCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044364 293151786 /nfs/dbraw/zinc/15/17/86/293151786.db2.gz BSZUGXHIKSLUCB-CYBMUJFWSA-N 1 2 318.377 3.211 20 5 DGBDLO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1c1cccc(F)c1 ZINC000370055967 293152436 /nfs/dbraw/zinc/15/24/36/293152436.db2.gz NZTRPXNAAFALFJ-NHYWBVRUSA-N 1 2 318.352 3.051 20 5 DGBDLO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1c1cccc(F)c1 ZINC000370055967 293152438 /nfs/dbraw/zinc/15/24/38/293152438.db2.gz NZTRPXNAAFALFJ-NHYWBVRUSA-N 1 2 318.352 3.051 20 5 DGBDLO CC(C)c1ccc(C[NH2+][C@@H](C)c2csnn2)cc1[N+](=O)[O-] ZINC000414550260 433713214 /nfs/dbraw/zinc/71/32/14/433713214.db2.gz NGYDTCOMRVDXRJ-JTQLQIEISA-N 1 2 306.391 3.421 20 5 DGBDLO CC[C@@H](COC)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301831711 433743017 /nfs/dbraw/zinc/74/30/17/433743017.db2.gz QUZPGMMVIWGRCS-ZDUSSCGKSA-N 1 2 316.361 3.197 20 5 DGBDLO C[C@H]1SCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000352027820 433874205 /nfs/dbraw/zinc/87/42/05/433874205.db2.gz PGMJOFNAHLXQHA-RKDXNWHRSA-N 1 2 302.346 3.199 20 5 DGBDLO C[C@H]1SCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000352027820 433874214 /nfs/dbraw/zinc/87/42/14/433874214.db2.gz PGMJOFNAHLXQHA-RKDXNWHRSA-N 1 2 302.346 3.199 20 5 DGBDLO Nc1[nH+]cnc(NCCCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000302893813 433898773 /nfs/dbraw/zinc/89/87/73/433898773.db2.gz OIXLKONNOVGWLI-UHFFFAOYSA-N 1 2 321.768 3.055 20 5 DGBDLO Nc1nc[nH+]c(NCCCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000302893813 433898779 /nfs/dbraw/zinc/89/87/79/433898779.db2.gz OIXLKONNOVGWLI-UHFFFAOYSA-N 1 2 321.768 3.055 20 5 DGBDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC000362921881 433910445 /nfs/dbraw/zinc/91/04/45/433910445.db2.gz AFGLEVRAQQDSHA-BDAKNGLRSA-N 1 2 309.395 3.139 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285575872 434000801 /nfs/dbraw/zinc/00/08/01/434000801.db2.gz SWKQUJUEIQWFIW-GFCCVEGCSA-N 1 2 314.341 3.256 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285575872 434000811 /nfs/dbraw/zinc/00/08/11/434000811.db2.gz SWKQUJUEIQWFIW-GFCCVEGCSA-N 1 2 314.341 3.256 20 5 DGBDLO CSCc1cnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000294304925 434078316 /nfs/dbraw/zinc/07/83/16/434078316.db2.gz XCHPOLJUDADEHW-UHFFFAOYSA-N 1 2 309.416 3.204 20 5 DGBDLO O=[N+]([O-])c1cccc2c1ccnc2N1CCC(n2cc[nH+]c2)CC1 ZINC000450290986 434085946 /nfs/dbraw/zinc/08/59/46/434085946.db2.gz DYHSZAMOGFAOBB-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO Cc1ccc2[nH+]c(CNc3ncc(Cl)cc3[N+](=O)[O-])cn2c1 ZINC000346114079 434123081 /nfs/dbraw/zinc/12/30/81/434123081.db2.gz GQKJEZGFUHPLBU-UHFFFAOYSA-N 1 2 317.736 3.211 20 5 DGBDLO C[N@H+](CCc1ccccc1O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000508963100 294336505 /nfs/dbraw/zinc/33/65/05/294336505.db2.gz KYGMXNXILSXRBE-UHFFFAOYSA-N 1 2 322.311 3.253 20 5 DGBDLO C[N@@H+](CCc1ccccc1O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000508963100 294336509 /nfs/dbraw/zinc/33/65/09/294336509.db2.gz KYGMXNXILSXRBE-UHFFFAOYSA-N 1 2 322.311 3.253 20 5 DGBDLO CCOC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)C ZINC000509152774 294341614 /nfs/dbraw/zinc/34/16/14/294341614.db2.gz KMDBHVCYDIRCIB-VQHVLOKHSA-N 1 2 320.389 3.129 20 5 DGBDLO CCOC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)C ZINC000509152774 294341616 /nfs/dbraw/zinc/34/16/16/294341616.db2.gz KMDBHVCYDIRCIB-VQHVLOKHSA-N 1 2 320.389 3.129 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC000393329329 434391641 /nfs/dbraw/zinc/39/16/41/434391641.db2.gz PIKLTCTXVKOWAN-SNVBAGLBSA-N 1 2 308.769 3.141 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)CCC2 ZINC000366691358 434483432 /nfs/dbraw/zinc/48/34/32/434483432.db2.gz YJJPMWDLYUYPBW-JTQLQIEISA-N 1 2 321.768 3.138 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000408213275 434551922 /nfs/dbraw/zinc/55/19/22/434551922.db2.gz ADYSAGCMEHANOD-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000408213275 434551928 /nfs/dbraw/zinc/55/19/28/434551928.db2.gz ADYSAGCMEHANOD-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411911398 434843255 /nfs/dbraw/zinc/84/32/55/434843255.db2.gz WAWDFXMQGDRWHV-LBPRGKRZSA-N 1 2 320.389 3.289 20 5 DGBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411911398 434843258 /nfs/dbraw/zinc/84/32/58/434843258.db2.gz WAWDFXMQGDRWHV-LBPRGKRZSA-N 1 2 320.389 3.289 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000372745019 434851133 /nfs/dbraw/zinc/85/11/33/434851133.db2.gz WDEVAXCHCOHALI-ZDUSSCGKSA-N 1 2 300.362 3.398 20 5 DGBDLO CCc1cc(NCCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000463078820 434942743 /nfs/dbraw/zinc/94/27/43/434942743.db2.gz USEAFBXTPYYEJR-UHFFFAOYSA-N 1 2 312.373 3.248 20 5 DGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1[nH+]ccn1CC ZINC000493008618 435089954 /nfs/dbraw/zinc/08/99/54/435089954.db2.gz TWAUVXBHLIUCPH-FPLPWBNLSA-N 1 2 314.345 3.026 20 5 DGBDLO CC(C)(C)OCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596467383 435316548 /nfs/dbraw/zinc/31/65/48/435316548.db2.gz XNYPJSZXNHNTJN-UHFFFAOYSA-N 1 2 303.362 3.760 20 5 DGBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541069437 435636467 /nfs/dbraw/zinc/63/64/67/435636467.db2.gz CXGHLMYZJWGZAY-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541069437 435636471 /nfs/dbraw/zinc/63/64/71/435636471.db2.gz CXGHLMYZJWGZAY-CQSZACIVSA-N 1 2 312.797 3.495 20 5 DGBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000519640047 435695806 /nfs/dbraw/zinc/69/58/06/435695806.db2.gz GTOKDOLFKLYARN-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000519640047 435695808 /nfs/dbraw/zinc/69/58/08/435695808.db2.gz GTOKDOLFKLYARN-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000552068565 435878185 /nfs/dbraw/zinc/87/81/85/435878185.db2.gz RVAIMRUIHJEUGI-MRXNPFEDSA-N 1 2 322.311 3.005 20 5 DGBDLO Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)[nH+]1 ZINC000179085634 312797229 /nfs/dbraw/zinc/79/72/29/312797229.db2.gz HWKHPZRAWPCJSI-UHFFFAOYSA-N 1 2 324.340 3.269 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC(n2cc[nH+]c2)C1 ZINC000553442656 314644022 /nfs/dbraw/zinc/64/40/22/314644022.db2.gz VBUPTUBRMZIUNO-UHFFFAOYSA-N 1 2 313.144 3.159 20 5 DGBDLO CC(C)OC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000556811528 314777984 /nfs/dbraw/zinc/77/79/84/314777984.db2.gz NMGVQOWHXGCKLW-UHFFFAOYSA-N 1 2 314.332 3.262 20 5 DGBDLO Cc1noc(C)c1CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413132522 534349377 /nfs/dbraw/zinc/34/93/77/534349377.db2.gz IVZJJNJOBXZVND-UHFFFAOYSA-N 1 2 312.329 3.402 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](n4cccn4)C3)c2c1 ZINC000413113016 534884845 /nfs/dbraw/zinc/88/48/45/534884845.db2.gz KWQBASIQBNGCBJ-HNNXBMFYSA-N 1 2 323.356 3.181 20 5 DGBDLO CC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206499 528862282 /nfs/dbraw/zinc/86/22/82/528862282.db2.gz ONENRSVZVXEDOL-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CC[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206499 528862291 /nfs/dbraw/zinc/86/22/91/528862291.db2.gz ONENRSVZVXEDOL-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CCC(CC)[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413151391 528866233 /nfs/dbraw/zinc/86/62/33/528866233.db2.gz ZAGOVAAISGLSPI-OAHLLOKOSA-N 1 2 303.362 3.352 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000734850896 574679067 /nfs/dbraw/zinc/67/90/67/574679067.db2.gz QNKLNORDKAYGDJ-OAHLLOKOSA-N 1 2 324.739 3.211 20 5 DGBDLO O=[N+]([O-])c1ccc2nc(NCCNc3cccc[nH+]3)sc2c1 ZINC000729629948 575257721 /nfs/dbraw/zinc/25/77/21/575257721.db2.gz SIUXCKYGXDSFEL-UHFFFAOYSA-N 1 2 315.358 3.124 20 5 DGBDLO Cc1c(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000749653145 575671155 /nfs/dbraw/zinc/67/11/55/575671155.db2.gz IDADALPBYDAGKI-HNNXBMFYSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1c(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000749653145 575671156 /nfs/dbraw/zinc/67/11/56/575671156.db2.gz IDADALPBYDAGKI-HNNXBMFYSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1c(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000749653145 575671157 /nfs/dbraw/zinc/67/11/57/575671157.db2.gz IDADALPBYDAGKI-HNNXBMFYSA-N 1 2 300.362 3.354 20 5 DGBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000728567211 576188024 /nfs/dbraw/zinc/18/80/24/576188024.db2.gz NZVUTLWNLVZZPM-GFCCVEGCSA-N 1 2 306.753 3.286 20 5 DGBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852637269 620636823 /nfs/dbraw/zinc/63/68/23/620636823.db2.gz UAOCPYABDVOYTI-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852637269 620636825 /nfs/dbraw/zinc/63/68/25/620636825.db2.gz UAOCPYABDVOYTI-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO O=c1[nH]ccc(Nc2ccc([NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000853084373 620666813 /nfs/dbraw/zinc/66/68/13/620666813.db2.gz JBHUGGRSJFJBEZ-UHFFFAOYSA-N 1 2 314.345 3.429 20 5 DGBDLO CC(C)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000918496549 620710481 /nfs/dbraw/zinc/71/04/81/620710481.db2.gz ZFPUSKFDQMWEHC-UHFFFAOYSA-N 1 2 317.345 3.374 20 5 DGBDLO CC(C)c1c[nH]c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000894739229 618444400 /nfs/dbraw/zinc/44/44/00/618444400.db2.gz KDEPWYNSTMEPPX-UHFFFAOYSA-N 1 2 302.378 3.116 20 5 DGBDLO CC(C)c1c[nH]c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000894739229 618444403 /nfs/dbraw/zinc/44/44/03/618444403.db2.gz KDEPWYNSTMEPPX-UHFFFAOYSA-N 1 2 302.378 3.116 20 5 DGBDLO Cc1[nH]c([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2F)[nH+]c1C ZINC000895191785 618571631 /nfs/dbraw/zinc/57/16/31/618571631.db2.gz CDQGRQOPAACOIN-CQSZACIVSA-N 1 2 304.325 3.415 20 5 DGBDLO CCc1onc(C)c1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000897336274 619062514 /nfs/dbraw/zinc/06/25/14/619062514.db2.gz BFZDQHBUGVWNAE-UHFFFAOYSA-N 1 2 309.753 3.397 20 5 DGBDLO COc1cc([C@@H](C)[NH2+][C@H](C)c2cscn2)cc([N+](=O)[O-])c1 ZINC000903200456 619735268 /nfs/dbraw/zinc/73/52/68/619735268.db2.gz SEBZCBJLFBNBPC-NXEZZACHSA-N 1 2 307.375 3.472 20 5 DGBDLO Cc1cc(C)c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000913754407 620476948 /nfs/dbraw/zinc/47/69/48/620476948.db2.gz NRCGJFVBMUDUIA-UHFFFAOYSA-N 1 2 313.357 3.153 20 5 DGBDLO O=C(O[C@H]1C=CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102874 621210835 /nfs/dbraw/zinc/21/08/35/621210835.db2.gz ZLRAPLGCVAQEFN-ZDUSSCGKSA-N 1 2 313.313 3.046 20 5 DGBDLO Cc1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])o1 ZINC000839168496 621342307 /nfs/dbraw/zinc/34/23/07/621342307.db2.gz BJXSPOMICQGAGU-UHFFFAOYSA-N 1 2 316.144 3.488 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865832210 622003225 /nfs/dbraw/zinc/00/32/25/622003225.db2.gz LIEYSXSWXFFDEC-VXGBXAGGSA-N 1 2 316.279 3.287 20 5 DGBDLO CN(C)c1cc(COc2cc(Cl)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000762476506 622077864 /nfs/dbraw/zinc/07/78/64/622077864.db2.gz YGACNCVMITZNPL-UHFFFAOYSA-N 1 2 307.737 3.288 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nn(C)cc1C(F)F ZINC000866568194 622140425 /nfs/dbraw/zinc/14/04/25/622140425.db2.gz WSEHLAATASKONK-SNVBAGLBSA-N 1 2 324.331 3.425 20 5 DGBDLO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872026913 622759797 /nfs/dbraw/zinc/75/97/97/622759797.db2.gz IXMXIXIHJBRBPG-TYFHEEPYSA-N 1 2 316.332 3.043 20 5 DGBDLO Cc1c(C[NH2+]Cc2noc3c2CCCC3)cccc1[N+](=O)[O-] ZINC000873127555 623041796 /nfs/dbraw/zinc/04/17/96/623041796.db2.gz TUOHPVXJWWJOCD-UHFFFAOYSA-N 1 2 301.346 3.060 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1noc2c1CCCC2 ZINC000873127871 623042148 /nfs/dbraw/zinc/04/21/48/623042148.db2.gz ZLLMXEZUZGLSFD-UHFFFAOYSA-N 1 2 315.373 3.368 20 5 DGBDLO Cc1cccc(N2CCC([N@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000782355969 624243519 /nfs/dbraw/zinc/24/35/19/624243519.db2.gz YLLPAXXJYJIOST-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO Cc1cccc(N2CCC([N@@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000782355969 624243522 /nfs/dbraw/zinc/24/35/22/624243522.db2.gz YLLPAXXJYJIOST-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO O=C(OCC1=CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000790822361 625703996 /nfs/dbraw/zinc/70/39/96/625703996.db2.gz WTYLKYJCAJGMTQ-UHFFFAOYSA-N 1 2 313.313 3.048 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)ccc1Cl ZINC000878875606 624378403 /nfs/dbraw/zinc/37/84/03/624378403.db2.gz CQIOECBCSOENKP-ZDUSSCGKSA-N 1 2 306.753 3.308 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)ccc1Cl ZINC000878875606 624378406 /nfs/dbraw/zinc/37/84/06/624378406.db2.gz CQIOECBCSOENKP-ZDUSSCGKSA-N 1 2 306.753 3.308 20 5 DGBDLO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000880460549 624961116 /nfs/dbraw/zinc/96/11/16/624961116.db2.gz XHRMJIAYKMKUCO-CQSZACIVSA-N 1 2 306.387 3.212 20 5 DGBDLO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000880460549 624961118 /nfs/dbraw/zinc/96/11/18/624961118.db2.gz XHRMJIAYKMKUCO-CQSZACIVSA-N 1 2 306.387 3.212 20 5 DGBDLO CCC[N@H+](CC[N+](=O)[O-])[C@H](C)c1ccccc1Br ZINC000791052779 625744801 /nfs/dbraw/zinc/74/48/01/625744801.db2.gz CWILINPIEMEENB-LLVKDONJSA-N 1 2 315.211 3.499 20 5 DGBDLO CCC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1ccccc1Br ZINC000791052779 625744806 /nfs/dbraw/zinc/74/48/06/625744806.db2.gz CWILINPIEMEENB-LLVKDONJSA-N 1 2 315.211 3.499 20 5 DGBDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000791054405 625746270 /nfs/dbraw/zinc/74/62/70/625746270.db2.gz UWWUCJNLJKBGKT-UHFFFAOYSA-N 1 2 318.417 3.057 20 5 DGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)on1 ZINC000801510540 626406500 /nfs/dbraw/zinc/40/65/00/626406500.db2.gz WRMDTLTVJUXGHK-CQSZACIVSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)on1 ZINC000801510540 626406501 /nfs/dbraw/zinc/40/65/01/626406501.db2.gz WRMDTLTVJUXGHK-CQSZACIVSA-N 1 2 305.309 3.367 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1(c2ncccn2)CCC1 ZINC000883311051 626642380 /nfs/dbraw/zinc/64/23/80/626642380.db2.gz MBCBGFGMNAQVSV-AWEZNQCLSA-N 1 2 310.357 3.041 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]C2(c3ncccn3)CCC2)cc1[N+](=O)[O-] ZINC000883314281 626643519 /nfs/dbraw/zinc/64/35/19/626643519.db2.gz ZXHZZTAGVNGOIO-ZDUSSCGKSA-N 1 2 312.373 3.423 20 5 DGBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccnc2[N+](=O)[O-])s1 ZINC000886001627 627079843 /nfs/dbraw/zinc/07/98/43/627079843.db2.gz FBGMCASPCYEKHG-SNVBAGLBSA-N 1 2 306.391 3.256 20 5 DGBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccnc2[N+](=O)[O-])s1 ZINC000886001627 627079847 /nfs/dbraw/zinc/07/98/47/627079847.db2.gz FBGMCASPCYEKHG-SNVBAGLBSA-N 1 2 306.391 3.256 20 5 DGBDLO CC1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000886208982 627121874 /nfs/dbraw/zinc/12/18/74/627121874.db2.gz BSGUULUAEKKKPV-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO CC1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000886208982 627121875 /nfs/dbraw/zinc/12/18/75/627121875.db2.gz BSGUULUAEKKKPV-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO Cc1nn(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000812298048 627367977 /nfs/dbraw/zinc/36/79/77/627367977.db2.gz GVSJJTKBBAPPQS-MNOVXSKESA-N 1 2 320.315 3.110 20 5 DGBDLO Cc1nn(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000812298048 627367979 /nfs/dbraw/zinc/36/79/79/627367979.db2.gz GVSJJTKBBAPPQS-MNOVXSKESA-N 1 2 320.315 3.110 20 5 DGBDLO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000925496666 627579867 /nfs/dbraw/zinc/57/98/67/627579867.db2.gz RTYYWCHSHOONDX-RYUDHWBXSA-N 1 2 317.393 3.235 20 5 DGBDLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000926492515 627903951 /nfs/dbraw/zinc/90/39/51/627903951.db2.gz CMVGLOZZHZALNF-NWDGAFQWSA-N 1 2 303.366 3.179 20 5 DGBDLO C[C@@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1Cl)n1cc[nH+]c1 ZINC000844468714 630732868 /nfs/dbraw/zinc/73/28/68/630732868.db2.gz TUAFXLAOZVKZLG-JTQLQIEISA-N 1 2 323.736 3.139 20 5 DGBDLO CCn1c[nH+]c2c1CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000933255898 655692914 /nfs/dbraw/zinc/69/29/14/655692914.db2.gz GCAWRWUOTQJTPM-UHFFFAOYSA-N 1 2 320.780 3.023 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncc(Cl)n2C)cc1[N+](=O)[O-] ZINC000178448539 655741774 /nfs/dbraw/zinc/74/17/74/655741774.db2.gz AGARLQNZXIGSHN-JTQLQIEISA-N 1 2 308.769 3.141 20 5 DGBDLO C[C@H]1CSCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000934299126 655765657 /nfs/dbraw/zinc/76/56/57/655765657.db2.gz RRIUQQYTCXIONR-VIFPVBQESA-N 1 2 302.346 3.200 20 5 DGBDLO C[C@H]1CSCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000934299126 655765658 /nfs/dbraw/zinc/76/56/58/655765658.db2.gz RRIUQQYTCXIONR-VIFPVBQESA-N 1 2 302.346 3.200 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000179576542 655909048 /nfs/dbraw/zinc/90/90/48/655909048.db2.gz JVMUYOCMGAEPAS-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000179576542 655909049 /nfs/dbraw/zinc/90/90/49/655909049.db2.gz JVMUYOCMGAEPAS-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO Cc1cc(N)nc(SCc2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC000172023235 659310631 /nfs/dbraw/zinc/31/06/31/659310631.db2.gz JXYXUNKGXLALKJ-UHFFFAOYSA-N 1 2 310.766 3.221 20 5 DGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933490229 661637108 /nfs/dbraw/zinc/63/71/08/661637108.db2.gz TUZMNOYCZKYDNS-LLVKDONJSA-N 1 2 314.341 3.086 20 5 DGBDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC001352878363 1180413799 /nfs/dbraw/zinc/41/37/99/1180413799.db2.gz KIUQJRRHDYGGGC-AWEZNQCLSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC001352878363 1180413804 /nfs/dbraw/zinc/41/38/04/1180413804.db2.gz KIUQJRRHDYGGGC-AWEZNQCLSA-N 1 2 320.780 3.319 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1Cl ZINC001459801150 1182617758 /nfs/dbraw/zinc/61/77/58/1182617758.db2.gz VYXSWGMVWCSFCP-ZJUUUORDSA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1Cl ZINC001459801150 1182617760 /nfs/dbraw/zinc/61/77/60/1182617760.db2.gz VYXSWGMVWCSFCP-ZJUUUORDSA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCN1CCCc3ccccc31)C2 ZINC001473201250 1183728742 /nfs/dbraw/zinc/72/87/42/1183728742.db2.gz OBVUFIAKSBECQX-UHFFFAOYSA-N 1 2 323.396 3.363 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCN1CCCc3ccccc31)C2 ZINC001473201250 1183728746 /nfs/dbraw/zinc/72/87/46/1183728746.db2.gz OBVUFIAKSBECQX-UHFFFAOYSA-N 1 2 323.396 3.363 20 5 DGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC(C)(C)CO1 ZINC001473267365 1183737241 /nfs/dbraw/zinc/73/72/41/1183737241.db2.gz TUSMZTXVKNLDHR-CYBMUJFWSA-N 1 2 312.797 3.495 20 5 DGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC(C)(C)CO1 ZINC001473267365 1183737246 /nfs/dbraw/zinc/73/72/46/1183737246.db2.gz TUSMZTXVKNLDHR-CYBMUJFWSA-N 1 2 312.797 3.495 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccno1 ZINC001474425557 1183919490 /nfs/dbraw/zinc/91/94/90/1183919490.db2.gz IIXIBFUPQGJURG-UHFFFAOYSA-N 1 2 302.117 3.179 20 5 DGBDLO CCNc1cc(CNc2c(F)cc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC001612701694 1193459658 /nfs/dbraw/zinc/45/96/58/1193459658.db2.gz ZNXXUNKCIDYNAY-UHFFFAOYSA-N 1 2 308.288 3.312 20 5 DGBDLO O=[N+]([O-])c1cnc(NCCn2c[nH+]cc2-c2ccccc2)s1 ZINC001559248571 1189186039 /nfs/dbraw/zinc/18/60/39/1189186039.db2.gz AJCRSIRPDIIBEH-UHFFFAOYSA-N 1 2 315.358 3.027 20 5 DGBDLO CCc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC001559466311 1189207582 /nfs/dbraw/zinc/20/75/82/1189207582.db2.gz QKUWRVANFUEOBU-UHFFFAOYSA-N 1 2 310.151 3.165 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2noc3ccccc32)c(F)c1 ZINC001561003564 1189418329 /nfs/dbraw/zinc/41/83/29/1189418329.db2.gz HGYFPIYDGDQMJC-UHFFFAOYSA-N 1 2 301.277 3.165 20 5 DGBDLO Cc1cc(C)c(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c[nH+]1 ZINC001639154329 1194753405 /nfs/dbraw/zinc/75/34/05/1194753405.db2.gz CNKYMHNCTZIIAH-UHFFFAOYSA-N 1 2 324.340 3.018 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1[N+](=O)[O-] ZINC001644390610 1195105596 /nfs/dbraw/zinc/10/55/96/1195105596.db2.gz FYKQPXHEDTTYNA-GFCCVEGCSA-N 1 2 310.357 3.332 20 5 DGBDLO CC(C)c1[nH]cc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH+]1 ZINC001647824395 1195255801 /nfs/dbraw/zinc/25/58/01/1195255801.db2.gz DAINCPOFACFXGF-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO CC(C)c1[nH]c(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c[nH+]1 ZINC001647824395 1195255805 /nfs/dbraw/zinc/25/58/05/1195255805.db2.gz DAINCPOFACFXGF-UHFFFAOYSA-N 1 2 322.752 3.025 20 5 DGBDLO Nc1ccc(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])c[nH+]1 ZINC001650977611 1195399937 /nfs/dbraw/zinc/39/99/37/1195399937.db2.gz RDHLJNYGKAFWAO-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO Nc1[nH+]cccc1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001651075005 1195410850 /nfs/dbraw/zinc/41/08/50/1195410850.db2.gz MBZQRBXRIOMUHS-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO C[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccccc1[N+](=O)[O-] ZINC001651512946 1195474163 /nfs/dbraw/zinc/47/41/63/1195474163.db2.gz HZTMFSMJJPSJCB-JTQLQIEISA-N 1 2 313.313 3.292 20 5 DGBDLO O=[N+]([O-])c1ccc2ccc(N3CCC(n4cc[nH+]c4)CC3)nc2c1 ZINC001167123526 1081727222 /nfs/dbraw/zinc/72/72/22/1081727222.db2.gz ANDXPDOWPWAZMW-UHFFFAOYSA-N 1 2 323.356 3.181 20 5 DGBDLO CCn1cnc(Cl)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001181154383 1083421776 /nfs/dbraw/zinc/42/17/76/1083421776.db2.gz OHTIOGZPAYGXGQ-UHFFFAOYSA-N 1 2 322.796 3.139 20 5 DGBDLO CCn1cnc(Cl)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001181154383 1083421782 /nfs/dbraw/zinc/42/17/82/1083421782.db2.gz OHTIOGZPAYGXGQ-UHFFFAOYSA-N 1 2 322.796 3.139 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1Nc1cc([C@H]2CCCC[NH2+]2)no1 ZINC001159313522 1088285917 /nfs/dbraw/zinc/28/59/17/1088285917.db2.gz QAUXBNGYEFCYLF-SNVBAGLBSA-N 1 2 306.297 3.280 20 5 DGBDLO COc1cc[nH+]c(C(C)(C)CNc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC001162128190 1089561436 /nfs/dbraw/zinc/56/14/36/1089561436.db2.gz KHPRPFXBQLQZJA-UHFFFAOYSA-N 1 2 316.361 3.092 20 5 DGBDLO Cc1ccnc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC001156775067 1089689953 /nfs/dbraw/zinc/68/99/53/1089689953.db2.gz ASKTWLQHVFMKID-UHFFFAOYSA-N 1 2 323.356 3.120 20 5 DGBDLO O=[N+]([O-])c1cccc2nc(NCc3ccc4[nH+]ccn4c3)ccc21 ZINC001163139555 1090089482 /nfs/dbraw/zinc/08/94/82/1090089482.db2.gz PZZJPKKPNHBSKQ-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO Cc1c(NCCc2cn3ccccc3[nH+]2)cc(F)cc1[N+](=O)[O-] ZINC001169003730 1092483186 /nfs/dbraw/zinc/48/31/86/1092483186.db2.gz BZRNXEGUFNBXTE-UHFFFAOYSA-N 1 2 314.320 3.345 20 5 DGBDLO CC[N@H+](C)c1ccc(Nc2cnc(OC)c([N+](=O)[O-])c2)cc1 ZINC001210139746 1093056977 /nfs/dbraw/zinc/05/69/77/1093056977.db2.gz KCTSINMJLOOEJN-UHFFFAOYSA-N 1 2 302.334 3.198 20 5 DGBDLO CC[N@@H+](C)c1ccc(Nc2cnc(OC)c([N+](=O)[O-])c2)cc1 ZINC001210139746 1093056983 /nfs/dbraw/zinc/05/69/83/1093056983.db2.gz KCTSINMJLOOEJN-UHFFFAOYSA-N 1 2 302.334 3.198 20 5 DGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC001173236232 1097380356 /nfs/dbraw/zinc/38/03/56/1097380356.db2.gz YZNVKRHVIKYBHI-LBPRGKRZSA-N 1 2 322.405 3.236 20 5 DGBDLO c1cnc2c(c1)ccc1ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)nc12 ZINC001232227303 1097974763 /nfs/dbraw/zinc/97/47/63/1097974763.db2.gz JFTYCIXSFXUFJO-IAGOWNOFSA-N 1 2 305.381 3.146 20 5 DGBDLO c1cnc2c(c1)ccc1ccc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)nc12 ZINC001232227303 1097974768 /nfs/dbraw/zinc/97/47/68/1097974768.db2.gz JFTYCIXSFXUFJO-IAGOWNOFSA-N 1 2 305.381 3.146 20 5 DGBDLO Cc1ccc(C[N@H+]2CCN(C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001176432375 1098340377 /nfs/dbraw/zinc/34/03/77/1098340377.db2.gz OAWVRQOEIIDVKE-INIZCTEOSA-N 1 2 305.422 3.065 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001176432375 1098340385 /nfs/dbraw/zinc/34/03/85/1098340385.db2.gz OAWVRQOEIIDVKE-INIZCTEOSA-N 1 2 305.422 3.065 20 5 DGBDLO C[C@H](C(=O)Nc1cc2cccnc2c2ncccc12)n1cc[nH+]c1 ZINC001177926500 1098651662 /nfs/dbraw/zinc/65/16/62/1098651662.db2.gz JVWHXOYIKXOTJC-GFCCVEGCSA-N 1 2 317.352 3.179 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2[nH]c3c([nH+]2)CCCC3)c2ncccc12 ZINC001187717604 1099586163 /nfs/dbraw/zinc/58/61/63/1099586163.db2.gz WNKIYKXEUFFZJI-UHFFFAOYSA-N 1 2 323.356 3.357 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2nc3cc(-n4cc[nH+]c4)c(F)cc3[nH]2)c1 ZINC001250951807 1105609311 /nfs/dbraw/zinc/60/93/11/1105609311.db2.gz XXPSKPIYCYRBAW-UHFFFAOYSA-N 1 2 323.287 3.463 20 5 DGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001262058148 1107599729 /nfs/dbraw/zinc/59/97/29/1107599729.db2.gz OUCYGGCJBAWVAJ-VIFPVBQESA-N 1 2 314.267 3.311 20 5 DGBDLO CC1CC[NH+](c2ccc(Nc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC001306976057 1111256800 /nfs/dbraw/zinc/25/68/00/1111256800.db2.gz ZLTWLYJKXUSTDH-UHFFFAOYSA-N 1 2 312.373 3.392 20 5 DGBDLO C[C@H]([NH2+]Cc1ccc(O)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC001308937577 1111496549 /nfs/dbraw/zinc/49/65/49/1111496549.db2.gz RYNRTCKVUZHJGO-VIFPVBQESA-N 1 2 308.284 3.429 20 5 DGBDLO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1cnccn1 ZINC000092591185 185328236 /nfs/dbraw/zinc/32/82/36/185328236.db2.gz DHDMNQQFRPTUCZ-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1cnccn1 ZINC000092591185 185328237 /nfs/dbraw/zinc/32/82/37/185328237.db2.gz DHDMNQQFRPTUCZ-UHFFFAOYSA-N 1 2 324.340 3.277 20 5 DGBDLO CN(CCOCC1CC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413181320 529922274 /nfs/dbraw/zinc/92/22/74/529922274.db2.gz DYMCGNNOTLYLTC-UHFFFAOYSA-N 1 2 301.346 3.006 20 5 DGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000103965291 432013357 /nfs/dbraw/zinc/01/33/57/432013357.db2.gz RLITXIJMZGPGSP-UHFFFAOYSA-N 1 2 308.297 3.237 20 5 DGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000103966695 432013995 /nfs/dbraw/zinc/01/39/95/432013995.db2.gz NYUNNVHHRCPCQL-UHFFFAOYSA-N 1 2 308.297 3.237 20 5 DGBDLO Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc([N+](=O)[O-])c1 ZINC000148055441 186042520 /nfs/dbraw/zinc/04/25/20/186042520.db2.gz JUIQFIRVCBUSNL-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)on1 ZINC000331801310 234137904 /nfs/dbraw/zinc/13/79/04/234137904.db2.gz IQIYRLXOGUIKHL-AWEZNQCLSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)on1 ZINC000331801310 234137908 /nfs/dbraw/zinc/13/79/08/234137908.db2.gz IQIYRLXOGUIKHL-AWEZNQCLSA-N 1 2 305.309 3.367 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](CO)c1ccccc1 ZINC000107904600 432042122 /nfs/dbraw/zinc/04/21/22/432042122.db2.gz NRPVKVVCHZGLTA-AWEZNQCLSA-N 1 2 306.749 3.071 20 5 DGBDLO CCOc1cc(C[NH2+][C@H](COC)c2ccco2)ccc1[N+](=O)[O-] ZINC000276980999 213216704 /nfs/dbraw/zinc/21/67/04/213216704.db2.gz YJFDYJVAFSEGNC-CYBMUJFWSA-N 1 2 320.345 3.064 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2nccn21)C1CC1 ZINC000179695373 432067818 /nfs/dbraw/zinc/06/78/18/432067818.db2.gz RBWALQZOWJRVAT-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc2nccn21)C1CC1 ZINC000179695373 432067820 /nfs/dbraw/zinc/06/78/20/432067820.db2.gz RBWALQZOWJRVAT-UHFFFAOYSA-N 1 2 322.368 3.407 20 5 DGBDLO Cc1cc(N)nc(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)[nH+]1 ZINC000180007508 199105708 /nfs/dbraw/zinc/10/57/08/199105708.db2.gz GWPURXAEQLRXOJ-SNVBAGLBSA-N 1 2 304.375 3.437 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000180788208 199209438 /nfs/dbraw/zinc/20/94/38/199209438.db2.gz VGKXGHPKWHDUNM-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000180788208 199209440 /nfs/dbraw/zinc/20/94/40/199209440.db2.gz VGKXGHPKWHDUNM-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000430201068 238070463 /nfs/dbraw/zinc/07/04/63/238070463.db2.gz IVGYODFRULCXAA-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000430201068 238070464 /nfs/dbraw/zinc/07/04/64/238070464.db2.gz IVGYODFRULCXAA-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)onc1CC ZINC000292850756 223274833 /nfs/dbraw/zinc/27/48/33/223274833.db2.gz BWZFNZJHNISNIT-UHFFFAOYSA-N 1 2 319.361 3.142 20 5 DGBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000194619319 201263419 /nfs/dbraw/zinc/26/34/19/201263419.db2.gz XESVHZNNPLISEZ-LBPRGKRZSA-N 1 2 310.357 3.332 20 5 DGBDLO C/C=C\C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000449288315 240111414 /nfs/dbraw/zinc/11/14/14/240111414.db2.gz ZIEGYYIDLSUTMT-VLLIJTNSSA-N 1 2 320.389 3.013 20 5 DGBDLO CC(C)c1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC000449480863 240234102 /nfs/dbraw/zinc/23/41/02/240234102.db2.gz PLHZNMAGPFJOLX-UHFFFAOYSA-N 1 2 322.796 3.395 20 5 DGBDLO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000135241553 432107159 /nfs/dbraw/zinc/10/71/59/432107159.db2.gz XGKOFHRIASEULL-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000135241553 432107161 /nfs/dbraw/zinc/10/71/61/432107161.db2.gz XGKOFHRIASEULL-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451108596 241008624 /nfs/dbraw/zinc/00/86/24/241008624.db2.gz XDRQNDFIJYLDND-JTQLQIEISA-N 1 2 320.370 3.294 20 5 DGBDLO C[N@H+](CCc1nccs1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119535756 284145070 /nfs/dbraw/zinc/14/50/70/284145070.db2.gz VPTQCOWGGXVGSL-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO C[N@@H+](CCc1nccs1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119535756 284145073 /nfs/dbraw/zinc/14/50/73/284145073.db2.gz VPTQCOWGGXVGSL-UHFFFAOYSA-N 1 2 311.794 3.379 20 5 DGBDLO Cc1cccn2c(CN3CCc4ccc([N+](=O)[O-])cc4C3)c[nH+]c12 ZINC000093338337 193234468 /nfs/dbraw/zinc/23/44/68/193234468.db2.gz HNLHTFFGAMDALS-UHFFFAOYSA-N 1 2 322.368 3.109 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293124006 285076188 /nfs/dbraw/zinc/07/61/88/285076188.db2.gz MMKIZLIVCJUYOW-LLVKDONJSA-N 1 2 319.188 3.248 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293124006 285076193 /nfs/dbraw/zinc/07/61/93/285076193.db2.gz MMKIZLIVCJUYOW-LLVKDONJSA-N 1 2 319.188 3.248 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCCCc2cccc(C)[nH+]2)c1 ZINC000338726271 253341735 /nfs/dbraw/zinc/34/17/35/253341735.db2.gz WSTIEVYHGOYIGT-UHFFFAOYSA-N 1 2 301.346 3.352 20 5 DGBDLO Cc1cnc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)s1 ZINC000344519089 254279215 /nfs/dbraw/zinc/27/92/15/254279215.db2.gz SFIRKZOPRAJHJJ-AWEZNQCLSA-N 1 2 319.386 3.306 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1nccs1 ZINC000430202764 533137273 /nfs/dbraw/zinc/13/72/73/533137273.db2.gz DBEGNFIMHJNOCX-UHFFFAOYSA-N 1 2 307.375 3.085 20 5 DGBDLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC000289349210 220903264 /nfs/dbraw/zinc/90/32/64/220903264.db2.gz KPIDKLQKLKKTED-QPUJVOFHSA-N 1 2 319.188 3.104 20 5 DGBDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC000289349210 220903269 /nfs/dbraw/zinc/90/32/69/220903269.db2.gz KPIDKLQKLKKTED-QPUJVOFHSA-N 1 2 319.188 3.104 20 5 DGBDLO Cc1ccnc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000289801661 221236800 /nfs/dbraw/zinc/23/68/00/221236800.db2.gz SHZXDMKPPDBZJH-NSHDSACASA-N 1 2 311.345 3.025 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000289892372 221298300 /nfs/dbraw/zinc/29/83/00/221298300.db2.gz MNVHCTVSEGXNDV-SECBINFHSA-N 1 2 319.188 3.106 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000289892372 221298302 /nfs/dbraw/zinc/29/83/02/221298302.db2.gz MNVHCTVSEGXNDV-SECBINFHSA-N 1 2 319.188 3.106 20 5 DGBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595291011 400119024 /nfs/dbraw/zinc/11/90/24/400119024.db2.gz VUFCUNLVULJYED-CYBMUJFWSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595291011 400119030 /nfs/dbraw/zinc/11/90/30/400119030.db2.gz VUFCUNLVULJYED-CYBMUJFWSA-N 1 2 305.309 3.367 20 5 DGBDLO COc1ccc([C@H](C)[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595288760 400117072 /nfs/dbraw/zinc/11/70/72/400117072.db2.gz LVKZIKACEGFHTO-NSHDSACASA-N 1 2 305.334 3.093 20 5 DGBDLO COc1ccc([C@H](C)[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595288760 400117077 /nfs/dbraw/zinc/11/70/77/400117077.db2.gz LVKZIKACEGFHTO-NSHDSACASA-N 1 2 305.334 3.093 20 5 DGBDLO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000595039341 400084926 /nfs/dbraw/zinc/08/49/26/400084926.db2.gz RXJMQZNNEFTYED-SNVBAGLBSA-N 1 2 319.361 3.313 20 5 DGBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc[nH+]c(C(C)(C)C)n1 ZINC000588063418 400184210 /nfs/dbraw/zinc/18/42/10/400184210.db2.gz IWXFSEDHFYNFAI-UHFFFAOYSA-N 1 2 314.389 3.361 20 5 DGBDLO Cc1noc(C[N@@H+](Cc2ccc(C)nc2)CC2CC2)c1[N+](=O)[O-] ZINC000595563173 400189240 /nfs/dbraw/zinc/18/92/40/400189240.db2.gz OHAVSKXAGJECLD-UHFFFAOYSA-N 1 2 316.361 3.007 20 5 DGBDLO Cc1noc(C[N@H+](Cc2ccc(C)nc2)CC2CC2)c1[N+](=O)[O-] ZINC000595563173 400189246 /nfs/dbraw/zinc/18/92/46/400189246.db2.gz OHAVSKXAGJECLD-UHFFFAOYSA-N 1 2 316.361 3.007 20 5 DGBDLO Cc1noc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000595332630 400129130 /nfs/dbraw/zinc/12/91/30/400129130.db2.gz OHLSLGPBAQDCSE-CMPLNLGQSA-N 1 2 305.334 3.457 20 5 DGBDLO Cc1noc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000595332630 400129137 /nfs/dbraw/zinc/12/91/37/400129137.db2.gz OHLSLGPBAQDCSE-CMPLNLGQSA-N 1 2 305.334 3.457 20 5 DGBDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595338867 400131190 /nfs/dbraw/zinc/13/11/90/400131190.db2.gz KSQIDZUIVHCJHY-UHFFFAOYSA-N 1 2 311.744 3.358 20 5 DGBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595338867 400131192 /nfs/dbraw/zinc/13/11/92/400131192.db2.gz KSQIDZUIVHCJHY-UHFFFAOYSA-N 1 2 311.744 3.358 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000595348114 400131764 /nfs/dbraw/zinc/13/17/64/400131764.db2.gz ZJRCSBMNFROOMW-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000595348114 400131770 /nfs/dbraw/zinc/13/17/70/400131770.db2.gz ZJRCSBMNFROOMW-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000595432089 400148071 /nfs/dbraw/zinc/14/80/71/400148071.db2.gz FSQRKUQLTDPKIX-LURJTMIESA-N 1 2 301.755 3.457 20 5 DGBDLO Cc1noc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595432992 400148191 /nfs/dbraw/zinc/14/81/91/400148191.db2.gz XPYKEKCWKYJFQG-IONNQARKSA-N 1 2 307.272 3.054 20 5 DGBDLO Cc1noc(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595432992 400148196 /nfs/dbraw/zinc/14/81/96/400148196.db2.gz XPYKEKCWKYJFQG-IONNQARKSA-N 1 2 307.272 3.054 20 5 DGBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586768775 400152162 /nfs/dbraw/zinc/15/21/62/400152162.db2.gz HGBPJUOIXJSUPY-SSDOTTSWSA-N 1 2 311.288 3.329 20 5 DGBDLO CCn1cc(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000609705483 400187438 /nfs/dbraw/zinc/18/74/38/400187438.db2.gz KDIYBJAVNHYLLR-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO CCn1cc(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000609705483 400187441 /nfs/dbraw/zinc/18/74/41/400187441.db2.gz KDIYBJAVNHYLLR-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000595491414 400167774 /nfs/dbraw/zinc/16/77/74/400167774.db2.gz WGGZCHOQLQABKY-CABCVRRESA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000595491414 400167775 /nfs/dbraw/zinc/16/77/75/400167775.db2.gz WGGZCHOQLQABKY-CABCVRRESA-N 1 2 308.353 3.123 20 5 DGBDLO CCCO[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093316652 400238882 /nfs/dbraw/zinc/23/88/82/400238882.db2.gz JMIWOWWDMAWBTI-HNNXBMFYSA-N 1 2 308.378 3.082 20 5 DGBDLO CCCO[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093316652 400238887 /nfs/dbraw/zinc/23/88/87/400238887.db2.gz JMIWOWWDMAWBTI-HNNXBMFYSA-N 1 2 308.378 3.082 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000092758522 400203773 /nfs/dbraw/zinc/20/37/73/400203773.db2.gz XTPFGFTXFPJYLL-UHFFFAOYSA-N 1 2 320.389 3.224 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1C ZINC000092787056 400205175 /nfs/dbraw/zinc/20/51/75/400205175.db2.gz FUNLIKUMIQNOAF-UHFFFAOYSA-N 1 2 316.357 3.249 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1C ZINC000092787056 400205181 /nfs/dbraw/zinc/20/51/81/400205181.db2.gz FUNLIKUMIQNOAF-UHFFFAOYSA-N 1 2 316.357 3.249 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2ccco2)CC1 ZINC000595617049 400208430 /nfs/dbraw/zinc/20/84/30/400208430.db2.gz UYZFDXLLVHMQTB-UHFFFAOYSA-N 1 2 302.330 3.273 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000029537646 400310910 /nfs/dbraw/zinc/31/09/10/400310910.db2.gz HKOVCNDYLPBDKD-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000029537646 400310912 /nfs/dbraw/zinc/31/09/12/400310912.db2.gz HKOVCNDYLPBDKD-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC000029587034 400311138 /nfs/dbraw/zinc/31/11/38/400311138.db2.gz OERAVHJTCMHZDA-UHFFFAOYSA-N 1 2 302.309 3.473 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000611265425 400368201 /nfs/dbraw/zinc/36/82/01/400368201.db2.gz NAAUBADJLXBCNN-MRXNPFEDSA-N 1 2 314.341 3.343 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000611265425 400368207 /nfs/dbraw/zinc/36/82/07/400368207.db2.gz NAAUBADJLXBCNN-MRXNPFEDSA-N 1 2 314.341 3.343 20 5 DGBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000591149326 400493104 /nfs/dbraw/zinc/49/31/04/400493104.db2.gz IOEYCKFLGKBBST-UHFFFAOYSA-N 1 2 303.387 3.475 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CC[C@@H](CO)CC3)c2c1 ZINC000591149668 400493965 /nfs/dbraw/zinc/49/39/65/400493965.db2.gz UMGBPSGPKXSDFM-BJHJDKERSA-N 1 2 301.346 3.106 20 5 DGBDLO C[C@@H](C[C@H]1CCOC1)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591149797 400493985 /nfs/dbraw/zinc/49/39/85/400493985.db2.gz AGMTYUYHMLTJQS-NWDGAFQWSA-N 1 2 301.346 3.370 20 5 DGBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccsc3)CC2)cs1 ZINC000047265412 400607481 /nfs/dbraw/zinc/60/74/81/400607481.db2.gz HEKKNGKJHKSVFK-UHFFFAOYSA-N 1 2 323.443 3.036 20 5 DGBDLO CCn1cc(C[N@H+](Cc2csc([N+](=O)[O-])c2)C(C)C)cn1 ZINC000593079027 400755735 /nfs/dbraw/zinc/75/57/35/400755735.db2.gz CETDNQDEQIMIQA-UHFFFAOYSA-N 1 2 308.407 3.283 20 5 DGBDLO CCn1cc(C[N@@H+](Cc2csc([N+](=O)[O-])c2)C(C)C)cn1 ZINC000593079027 400755738 /nfs/dbraw/zinc/75/57/38/400755738.db2.gz CETDNQDEQIMIQA-UHFFFAOYSA-N 1 2 308.407 3.283 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)c(-n2c[nH+]c(CCCO)c2)c(Cl)c1 ZINC000613877989 400805740 /nfs/dbraw/zinc/80/57/40/400805740.db2.gz SAFUAWJWRXBMKK-UHFFFAOYSA-N 1 2 316.144 3.012 20 5 DGBDLO CC[C@@H](C)[C@@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043983 400936463 /nfs/dbraw/zinc/93/64/63/400936463.db2.gz QMAQOBCMHMVZTQ-BZNIZROVSA-N 1 2 303.362 3.352 20 5 DGBDLO C[C@@]1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCC[C@@H]1O ZINC000599055099 400941035 /nfs/dbraw/zinc/94/10/35/400941035.db2.gz NAIHGPLLRGCXMI-RDJZCZTQSA-N 1 2 315.373 3.496 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC2(C1)CCOCC2 ZINC000599056681 400941989 /nfs/dbraw/zinc/94/19/89/400941989.db2.gz YSPKHUGTDIOBSJ-UHFFFAOYSA-N 1 2 313.357 3.150 20 5 DGBDLO CC(C)CO[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599059574 400942334 /nfs/dbraw/zinc/94/23/34/400942334.db2.gz YVJQNUPIWHJMSE-AWEZNQCLSA-N 1 2 315.373 3.394 20 5 DGBDLO CO[C@H]1CCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599062905 400944144 /nfs/dbraw/zinc/94/41/44/400944144.db2.gz SPRNSPGDURAOIF-DOMZBBRYSA-N 1 2 301.346 3.370 20 5 DGBDLO CC1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCS1 ZINC000599062448 400945078 /nfs/dbraw/zinc/94/50/78/400945078.db2.gz QJLFNFFZKQYSFM-UHFFFAOYSA-N 1 2 303.387 3.475 20 5 DGBDLO CN(C[C@H]1CCCC[C@@H]1O)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599066745 400946302 /nfs/dbraw/zinc/94/63/02/400946302.db2.gz UITXXOQICCHHCJ-CJNGLKHVSA-N 1 2 315.373 3.130 20 5 DGBDLO CO[C@]1(C)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599078908 400952345 /nfs/dbraw/zinc/95/23/45/400952345.db2.gz KFLSOONHMSEBIC-MRXNPFEDSA-N 1 2 301.346 3.148 20 5 DGBDLO C[C@H]1COCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599081280 400953928 /nfs/dbraw/zinc/95/39/28/400953928.db2.gz KYMKDSGWRCXSBL-NWDGAFQWSA-N 1 2 301.346 3.228 20 5 DGBDLO O=[N+]([O-])c1c(NCCOCC(F)(F)F)ccc2c[nH+]ccc21 ZINC000599020153 400928529 /nfs/dbraw/zinc/92/85/29/400928529.db2.gz YWMJPVZYEQWMKN-UHFFFAOYSA-N 1 2 315.251 3.134 20 5 DGBDLO C[C@@H]1CCC[C@]1(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599086810 400956580 /nfs/dbraw/zinc/95/65/80/400956580.db2.gz SIIAVZZONUKSIA-BZNIZROVSA-N 1 2 301.346 3.106 20 5 DGBDLO COc1cccc(NCCc2[nH+]cc(C)cc2C)c1[N+](=O)[O-] ZINC000594596136 401122575 /nfs/dbraw/zinc/12/25/75/401122575.db2.gz MTKYRBZUGBVCJV-UHFFFAOYSA-N 1 2 301.346 3.270 20 5 DGBDLO COc1ccc(C(C)(C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1F ZINC000599598124 401088959 /nfs/dbraw/zinc/08/89/59/401088959.db2.gz PWZMWDILHATCKP-UHFFFAOYSA-N 1 2 323.324 3.064 20 5 DGBDLO O=[N+]([O-])c1sccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000615496281 401092092 /nfs/dbraw/zinc/09/20/92/401092092.db2.gz RENUAUXDTCNXFO-UHFFFAOYSA-N 1 2 300.343 3.454 20 5 DGBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000616057528 401203532 /nfs/dbraw/zinc/20/35/32/401203532.db2.gz BDDASYSXEHTQNP-CQSZACIVSA-N 1 2 323.356 3.181 20 5 DGBDLO CCC(=O)c1ccc(N[C@@H](CC)c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000359714189 286366458 /nfs/dbraw/zinc/36/64/58/286366458.db2.gz NJYUXTVFUBRJQJ-NSHDSACASA-N 1 2 302.334 3.474 20 5 DGBDLO Cc1cc(NCc2c[nH+]cn2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359954414 286396396 /nfs/dbraw/zinc/39/63/96/286396396.db2.gz MZFBDQMFDBITNP-UHFFFAOYSA-N 1 2 314.267 3.268 20 5 DGBDLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360072877 286419131 /nfs/dbraw/zinc/41/91/31/286419131.db2.gz NUTWIYPJBNYVCO-UHFFFAOYSA-N 1 2 314.267 3.282 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361249853 286634663 /nfs/dbraw/zinc/63/46/63/286634663.db2.gz HJPVIXFYJNZSIS-CYBMUJFWSA-N 1 2 320.295 3.486 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(N2CCCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000269630985 432189448 /nfs/dbraw/zinc/18/94/48/432189448.db2.gz LKCHSMYNDZRJDQ-LBPRGKRZSA-N 1 2 308.288 3.328 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000134011687 196353176 /nfs/dbraw/zinc/35/31/76/196353176.db2.gz WUQRNNVTXAJWCI-BLLLJJGKSA-N 1 2 300.362 3.187 20 5 DGBDLO Cc1cccc2[nH+]c(CSc3ccc([N+](=O)[O-])cn3)cn21 ZINC000178752356 228346268 /nfs/dbraw/zinc/34/62/68/228346268.db2.gz AERZWCZZCXSGCE-UHFFFAOYSA-N 1 2 300.343 3.238 20 5 DGBDLO C[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)Cn1cccn1 ZINC000413065609 230123472 /nfs/dbraw/zinc/12/34/72/230123472.db2.gz VDQBNIYRJISLJW-GFCCVEGCSA-N 1 2 311.345 3.088 20 5 DGBDLO C[C@@]1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCC[C@@H]1O ZINC000413175118 230146025 /nfs/dbraw/zinc/14/60/25/230146025.db2.gz QWAHAWSPEGYVNX-RDJZCZTQSA-N 1 2 315.373 3.496 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCC[C@@H]3CCO)c2c1 ZINC000413251056 230167222 /nfs/dbraw/zinc/16/72/22/230167222.db2.gz PASRJRKKMIRLGE-IUODEOHRSA-N 1 2 301.346 3.106 20 5 DGBDLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000413615907 230280070 /nfs/dbraw/zinc/28/00/70/230280070.db2.gz IPSCXIFLOFROFG-LSDHHAIUSA-N 1 2 311.341 3.349 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346971857 264130886 /nfs/dbraw/zinc/13/08/86/264130886.db2.gz BNYLYHFRNWDGGC-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346971857 264130887 /nfs/dbraw/zinc/13/08/87/264130887.db2.gz BNYLYHFRNWDGGC-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000348241194 264371757 /nfs/dbraw/zinc/37/17/57/264371757.db2.gz QWISGUWBTUTKNF-BONVTDFDSA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000348241194 264371759 /nfs/dbraw/zinc/37/17/59/264371759.db2.gz QWISGUWBTUTKNF-BONVTDFDSA-N 1 2 310.781 3.248 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000352388665 265027799 /nfs/dbraw/zinc/02/77/99/265027799.db2.gz TYBNKDQTDCMPPV-DOTOQJQBSA-N 1 2 304.390 3.472 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000352388665 265027801 /nfs/dbraw/zinc/02/78/01/265027801.db2.gz TYBNKDQTDCMPPV-DOTOQJQBSA-N 1 2 304.390 3.472 20 5 DGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000353462976 265437629 /nfs/dbraw/zinc/43/76/29/265437629.db2.gz LDYYXQLQFHFJIC-KRWDZBQOSA-N 1 2 322.368 3.208 20 5 DGBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000355274741 266024068 /nfs/dbraw/zinc/02/40/68/266024068.db2.gz DAIMTMFEEFEWGT-DZGCQCFKSA-N 1 2 322.405 3.381 20 5 DGBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000355274741 266024071 /nfs/dbraw/zinc/02/40/71/266024071.db2.gz DAIMTMFEEFEWGT-DZGCQCFKSA-N 1 2 322.405 3.381 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000355800291 266189182 /nfs/dbraw/zinc/18/91/82/266189182.db2.gz LKVSNWSWMDLMPY-UHFFFAOYSA-N 1 2 310.357 3.114 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000355800291 266189184 /nfs/dbraw/zinc/18/91/84/266189184.db2.gz LKVSNWSWMDLMPY-UHFFFAOYSA-N 1 2 310.357 3.114 20 5 DGBDLO CC(=O)c1cc(NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000357418755 270973620 /nfs/dbraw/zinc/97/36/20/270973620.db2.gz JMFZZLQFERQMAD-UHFFFAOYSA-N 1 2 310.313 3.057 20 5 DGBDLO Cc1cc(NCCCNc2cccc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000359886221 271010062 /nfs/dbraw/zinc/01/00/62/271010062.db2.gz ZGJPCOXCPKZNSS-UHFFFAOYSA-N 1 2 304.325 3.351 20 5 DGBDLO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000273515051 277569836 /nfs/dbraw/zinc/56/98/36/277569836.db2.gz PMKUZZOPIPZLRH-GFCCVEGCSA-N 1 2 310.737 3.319 20 5 DGBDLO O=[N+]([O-])c1ccc(CNc2[nH+]c(C3CC3)nc3[nH]ccc32)cc1 ZINC000601106185 430536079 /nfs/dbraw/zinc/53/60/79/430536079.db2.gz VADACMQCYHOCKV-UHFFFAOYSA-N 1 2 309.329 3.356 20 5 DGBDLO COc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1[N+](=O)[O-] ZINC000116380143 431506236 /nfs/dbraw/zinc/50/62/36/431506236.db2.gz XIAXULNIDFKHGR-UHFFFAOYSA-N 1 2 307.375 3.085 20 5 DGBDLO COc1ccc(Cn2c[nH+]c3cc(F)c(F)cc32)cc1[N+](=O)[O-] ZINC000047370128 431909602 /nfs/dbraw/zinc/90/96/02/431909602.db2.gz ORKKGCSAHALSLA-UHFFFAOYSA-N 1 2 319.267 3.280 20 5 DGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccccc1[N+](=O)[O-] ZINC000125233196 431918775 /nfs/dbraw/zinc/91/87/75/431918775.db2.gz QILVOPHGDFYTKR-UHFFFAOYSA-N 1 2 304.346 3.145 20 5 DGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccccc1[N+](=O)[O-] ZINC000125233196 431918776 /nfs/dbraw/zinc/91/87/76/431918776.db2.gz QILVOPHGDFYTKR-UHFFFAOYSA-N 1 2 304.346 3.145 20 5 DGBDLO Cc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000152346384 432325123 /nfs/dbraw/zinc/32/51/23/432325123.db2.gz ZRDXYCTZXCQRBK-NSHDSACASA-N 1 2 314.345 3.489 20 5 DGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000174477093 432351084 /nfs/dbraw/zinc/35/10/84/432351084.db2.gz DYXQKLQZEMDPJV-OAHLLOKOSA-N 1 2 304.346 3.228 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccnc2)C2CC2)c(F)c1 ZINC000271314532 432372354 /nfs/dbraw/zinc/37/23/54/432372354.db2.gz AOKKINVJVIJBLE-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccnc2)C2CC2)c(F)c1 ZINC000271314532 432372357 /nfs/dbraw/zinc/37/23/57/432372357.db2.gz AOKKINVJVIJBLE-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccco2)c(Cl)c1 ZINC000184516725 432400147 /nfs/dbraw/zinc/40/01/47/432400147.db2.gz DFOJDCMYBTVZTK-CYBMUJFWSA-N 1 2 310.737 3.055 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000184510212 432400692 /nfs/dbraw/zinc/40/06/92/432400692.db2.gz YXJKATCQINUSHG-CYBMUJFWSA-N 1 2 310.737 3.055 20 5 DGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])o1 ZINC000184840810 432437407 /nfs/dbraw/zinc/43/74/07/432437407.db2.gz MATCQMFARKDUDR-CQSZACIVSA-N 1 2 322.336 3.367 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC=C(F)C3)o2)c1 ZINC000272542093 432521034 /nfs/dbraw/zinc/52/10/34/432521034.db2.gz RVPSEGWQSQOOOQ-UHFFFAOYSA-N 1 2 317.320 3.351 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC=C(F)C3)o2)c1 ZINC000272542093 432521040 /nfs/dbraw/zinc/52/10/40/432521040.db2.gz RVPSEGWQSQOOOQ-UHFFFAOYSA-N 1 2 317.320 3.351 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000274215119 432640027 /nfs/dbraw/zinc/64/00/27/432640027.db2.gz NLPPVLJXFNMQDU-ZJUUUORDSA-N 1 2 306.391 3.475 20 5 DGBDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccccc1[N+](=O)[O-])n2C ZINC000187590304 432671738 /nfs/dbraw/zinc/67/17/38/432671738.db2.gz RPDJFHPGEYLBTQ-UHFFFAOYSA-N 1 2 310.357 3.080 20 5 DGBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000277431700 432849292 /nfs/dbraw/zinc/84/92/92/432849292.db2.gz NNSUYIXQCFGULV-WDEREUQCSA-N 1 2 303.366 3.077 20 5 DGBDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000268242196 432858598 /nfs/dbraw/zinc/85/85/98/432858598.db2.gz XJKHHSURTMEQDM-UHFFFAOYSA-N 1 2 306.391 3.034 20 5 DGBDLO CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000296751671 432926337 /nfs/dbraw/zinc/92/63/37/432926337.db2.gz PTOCFHKPBKENRZ-LBPRGKRZSA-N 1 2 322.752 3.098 20 5 DGBDLO CCc1nnc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278871493 432910938 /nfs/dbraw/zinc/91/09/38/432910938.db2.gz XBMXWTMQLXLGHS-IINYFYTJSA-N 1 2 315.377 3.004 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1[C@H]1CCCO1 ZINC000289922942 432978498 /nfs/dbraw/zinc/97/84/98/432978498.db2.gz UUYWEGCEXLGJAL-HUUCEWRRSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1[C@H]1CCCO1 ZINC000289922942 432978501 /nfs/dbraw/zinc/97/85/01/432978501.db2.gz UUYWEGCEXLGJAL-HUUCEWRRSA-N 1 2 308.353 3.123 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332216535 432985471 /nfs/dbraw/zinc/98/54/71/432985471.db2.gz IRQMXCBFUCAGRV-DMZKTXOQSA-N 1 2 324.446 3.197 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332216535 432985474 /nfs/dbraw/zinc/98/54/74/432985474.db2.gz IRQMXCBFUCAGRV-DMZKTXOQSA-N 1 2 324.446 3.197 20 5 DGBDLO C[C@H](c1ccccc1F)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332509544 433009984 /nfs/dbraw/zinc/00/99/84/433009984.db2.gz HKTUMXWBVJKISD-LLVKDONJSA-N 1 2 301.321 3.248 20 5 DGBDLO C[C@H](c1ccccc1F)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332509544 433009988 /nfs/dbraw/zinc/00/99/88/433009988.db2.gz HKTUMXWBVJKISD-LLVKDONJSA-N 1 2 301.321 3.248 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCOc2c(F)ccc(F)c21 ZINC000361249854 433056440 /nfs/dbraw/zinc/05/64/40/433056440.db2.gz HJPVIXFYJNZSIS-ZDUSSCGKSA-N 1 2 320.295 3.486 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccncc3)nc2c1 ZINC000361262111 433065941 /nfs/dbraw/zinc/06/59/41/433065941.db2.gz RDFRCPGUFRCTRL-INIZCTEOSA-N 1 2 323.356 3.203 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccncc3)nc2c1 ZINC000361262111 433065950 /nfs/dbraw/zinc/06/59/50/433065950.db2.gz RDFRCPGUFRCTRL-INIZCTEOSA-N 1 2 323.356 3.203 20 5 DGBDLO COc1cc(C)nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000341553581 433129993 /nfs/dbraw/zinc/12/99/93/433129993.db2.gz IPTYOKUESNJICK-UHFFFAOYSA-N 1 2 321.764 3.250 20 5 DGBDLO COc1cc(C)[nH+]c(CNCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000341553581 433129999 /nfs/dbraw/zinc/12/99/99/433129999.db2.gz IPTYOKUESNJICK-UHFFFAOYSA-N 1 2 321.764 3.250 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[C@@H]3CCCCO3)c2c1 ZINC000413233600 433266682 /nfs/dbraw/zinc/26/66/82/433266682.db2.gz OLEMKYSYJNNUHA-HNNXBMFYSA-N 1 2 315.373 3.904 20 5 DGBDLO CCOc1ccc(C(=O)Nc2c(C)cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000425591229 433311470 /nfs/dbraw/zinc/31/14/70/433311470.db2.gz YJXMIIAQUHILJK-UHFFFAOYSA-N 1 2 315.329 3.258 20 5 DGBDLO Cn1cc(Cl)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000420960821 433348069 /nfs/dbraw/zinc/34/80/69/433348069.db2.gz HOAHWIFCMSNGTN-UHFFFAOYSA-N 1 2 308.769 3.007 20 5 DGBDLO O=[N+]([O-])c1ccc(SCc2[nH+]ccn2CC(F)(F)F)nc1 ZINC000448103577 433361477 /nfs/dbraw/zinc/36/14/77/433361477.db2.gz UVQOIOMCSVRCSS-UHFFFAOYSA-N 1 2 318.280 3.041 20 5 DGBDLO Cc1ccnc(NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000301248676 433469456 /nfs/dbraw/zinc/46/94/56/433469456.db2.gz BMNUEVJFERGBBP-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429530605 290266844 /nfs/dbraw/zinc/26/68/44/290266844.db2.gz QGGMBGNBARZHOT-CYBMUJFWSA-N 1 2 314.389 3.321 20 5 DGBDLO Cc1nn(C)c(Nc2ccc([NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000301302999 433497176 /nfs/dbraw/zinc/49/71/76/433497176.db2.gz WIDPKWSKRDULHM-UHFFFAOYSA-N 1 2 315.377 3.371 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000301659519 433662391 /nfs/dbraw/zinc/66/23/91/433662391.db2.gz WUQRNNVTXAJWCI-WBMJQRKESA-N 1 2 300.362 3.187 20 5 DGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000371253447 293205804 /nfs/dbraw/zinc/20/58/04/293205804.db2.gz KGGVOCWMOJDOFD-LLVKDONJSA-N 1 2 304.325 3.228 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCCO)Cc1ccccc1 ZINC000362951043 433923479 /nfs/dbraw/zinc/92/34/79/433923479.db2.gz JVTBYDVDHVJRSA-UHFFFAOYSA-N 1 2 318.348 3.119 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCCO)Cc1ccccc1 ZINC000362951043 433923486 /nfs/dbraw/zinc/92/34/86/433923486.db2.gz JVTBYDVDHVJRSA-UHFFFAOYSA-N 1 2 318.348 3.119 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000362861386 433888336 /nfs/dbraw/zinc/88/83/36/433888336.db2.gz OBXIACYZXXJUKD-ZDUSSCGKSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000362861386 433888345 /nfs/dbraw/zinc/88/83/45/433888345.db2.gz OBXIACYZXXJUKD-ZDUSSCGKSA-N 1 2 320.780 3.319 20 5 DGBDLO COC(=O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCCCC1 ZINC000502732366 294174091 /nfs/dbraw/zinc/17/40/91/294174091.db2.gz YSMACOOQBVHEOW-UHFFFAOYSA-N 1 2 320.389 3.259 20 5 DGBDLO CCc1nocc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000507243068 294291433 /nfs/dbraw/zinc/29/14/33/294291433.db2.gz JRUHAFJDJSAHQF-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO CCc1nocc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000507243068 294291437 /nfs/dbraw/zinc/29/14/37/294291437.db2.gz JRUHAFJDJSAHQF-UHFFFAOYSA-N 1 2 301.346 3.310 20 5 DGBDLO O=C(C[NH+]1CCC2(CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000378325840 434140923 /nfs/dbraw/zinc/14/09/23/434140923.db2.gz IGVXJJJBIBWPEP-UHFFFAOYSA-N 1 2 323.780 3.063 20 5 DGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CO)c1ccccc1 ZINC000286088537 434157775 /nfs/dbraw/zinc/15/77/75/434157775.db2.gz UCGBFIBHIDFCLL-INIZCTEOSA-N 1 2 322.311 3.038 20 5 DGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CO)c1ccccc1 ZINC000286088537 434157788 /nfs/dbraw/zinc/15/77/88/434157788.db2.gz UCGBFIBHIDFCLL-INIZCTEOSA-N 1 2 322.311 3.038 20 5 DGBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000450828737 434428137 /nfs/dbraw/zinc/42/81/37/434428137.db2.gz LCPNKTMWUSTKQS-JTQLQIEISA-N 1 2 302.334 3.187 20 5 DGBDLO C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000287831426 434464134 /nfs/dbraw/zinc/46/41/34/434464134.db2.gz LIMLETZHFGGHRH-RISCZKNCSA-N 1 2 304.325 3.018 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2ncsc2C1 ZINC000438373470 434472161 /nfs/dbraw/zinc/47/21/61/434472161.db2.gz NTXAHSIUHDYHTK-HWKANZROSA-N 1 2 301.371 3.123 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCc2ncsc2C1 ZINC000438373470 434472169 /nfs/dbraw/zinc/47/21/69/434472169.db2.gz NTXAHSIUHDYHTK-HWKANZROSA-N 1 2 301.371 3.123 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2n1C ZINC000525210718 295004084 /nfs/dbraw/zinc/00/40/84/295004084.db2.gz XKDTZHITJKYFBC-UHFFFAOYSA-N 1 2 324.340 3.351 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000418120352 434592817 /nfs/dbraw/zinc/59/28/17/434592817.db2.gz BBPAAGVRFIKFAK-OAHLLOKOSA-N 1 2 308.403 3.018 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000418120352 434592824 /nfs/dbraw/zinc/59/28/24/434592824.db2.gz BBPAAGVRFIKFAK-OAHLLOKOSA-N 1 2 308.403 3.018 20 5 DGBDLO C[C@H](CCCc1cccnc1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000459640200 434645101 /nfs/dbraw/zinc/64/51/01/434645101.db2.gz PMAHGHQHBURLDG-CYBMUJFWSA-N 1 2 315.373 3.196 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2cnn(Cc3[nH+]ccn3C(F)F)c2)c1 ZINC000349158855 434624808 /nfs/dbraw/zinc/62/48/08/434624808.db2.gz KMYYGFTXHOUKQY-UHFFFAOYSA-N 1 2 319.271 3.098 20 5 DGBDLO CCOC1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459616687 434633079 /nfs/dbraw/zinc/63/30/79/434633079.db2.gz YNNUTPQVSAWJIY-UHFFFAOYSA-N 1 2 302.330 3.076 20 5 DGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2Cc3cccc(F)c3C2)cc1 ZINC000459737399 434688347 /nfs/dbraw/zinc/68/83/47/434688347.db2.gz RCYNGPSRPUTVQM-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2Cc3cccc(F)c3C2)cc1 ZINC000459737399 434688355 /nfs/dbraw/zinc/68/83/55/434688355.db2.gz RCYNGPSRPUTVQM-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO Cc1ccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000361073211 434788963 /nfs/dbraw/zinc/78/89/63/434788963.db2.gz MKUVNRIMZKWOPJ-UHFFFAOYSA-N 1 2 318.348 3.037 20 5 DGBDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000361073211 434788967 /nfs/dbraw/zinc/78/89/67/434788967.db2.gz MKUVNRIMZKWOPJ-UHFFFAOYSA-N 1 2 318.348 3.037 20 5 DGBDLO CCOc1cc(C[NH2+][C@@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000411877023 434839915 /nfs/dbraw/zinc/83/99/15/434839915.db2.gz CGNKZXHJSGJALY-JTQLQIEISA-N 1 2 307.375 3.301 20 5 DGBDLO CC(C)([NH2+]Cc1nc2ccccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000492048654 434905152 /nfs/dbraw/zinc/90/51/52/434905152.db2.gz QFNCHNFBNNAVKR-UHFFFAOYSA-N 1 2 310.357 3.496 20 5 DGBDLO Cn1c(NCc2ccc([N+](=O)[O-])cc2)[nH+]c2cccc(Cl)c21 ZINC000466630982 435086244 /nfs/dbraw/zinc/08/62/44/435086244.db2.gz OJIDJWAUIWMGQA-UHFFFAOYSA-N 1 2 316.748 3.747 20 5 DGBDLO CCOC(=O)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)CC ZINC000475145940 435180402 /nfs/dbraw/zinc/18/04/02/435180402.db2.gz ZHUHIYCZORPMQH-XCUOTZKBSA-N 1 2 320.389 3.175 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2nc(C)ncc2C1 ZINC000537601089 435450911 /nfs/dbraw/zinc/45/09/11/435450911.db2.gz LBRLPXKLFCKVKD-LBPRGKRZSA-N 1 2 312.373 3.121 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2nc(C)ncc2C1 ZINC000537601089 435450918 /nfs/dbraw/zinc/45/09/18/435450918.db2.gz LBRLPXKLFCKVKD-LBPRGKRZSA-N 1 2 312.373 3.121 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000537647965 435459553 /nfs/dbraw/zinc/45/95/53/435459553.db2.gz SPEBXLMAFPUHFS-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000537647965 435459560 /nfs/dbraw/zinc/45/95/60/435459560.db2.gz SPEBXLMAFPUHFS-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000552146613 435885519 /nfs/dbraw/zinc/88/55/19/435885519.db2.gz QKLWPPZEKGEYKM-GPGHGMIHSA-N 1 2 314.385 3.251 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000552146613 435885523 /nfs/dbraw/zinc/88/55/23/435885523.db2.gz QKLWPPZEKGEYKM-GPGHGMIHSA-N 1 2 314.385 3.251 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000269630984 304800134 /nfs/dbraw/zinc/80/01/34/304800134.db2.gz LKCHSMYNDZRJDQ-GFCCVEGCSA-N 1 2 308.288 3.328 20 5 DGBDLO CCOC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000182016862 323279392 /nfs/dbraw/zinc/27/93/92/323279392.db2.gz HNNWKAQFNZVHJK-OAHLLOKOSA-N 1 2 308.378 3.004 20 5 DGBDLO CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000182016862 323279396 /nfs/dbraw/zinc/27/93/96/323279396.db2.gz HNNWKAQFNZVHJK-OAHLLOKOSA-N 1 2 308.378 3.004 20 5 DGBDLO CCO[C@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCCC2 ZINC000582503550 324237777 /nfs/dbraw/zinc/23/77/77/324237777.db2.gz PDGCWBWMQRXQPU-HOTGVXAUSA-N 1 2 320.389 3.128 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCOc3c(F)cccc3C2)cc1[N+](=O)[O-] ZINC000435041396 533937867 /nfs/dbraw/zinc/93/78/67/533937867.db2.gz IEPZSLGCWBAOGQ-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1ccc(C[N@H+]2CCOc3c(F)cccc3C2)cc1[N+](=O)[O-] ZINC000435041396 533937875 /nfs/dbraw/zinc/93/78/75/533937875.db2.gz IEPZSLGCWBAOGQ-UHFFFAOYSA-N 1 2 316.332 3.437 20 5 DGBDLO Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000292627839 534003310 /nfs/dbraw/zinc/00/33/10/534003310.db2.gz NXKORRJTVIHSHV-GFCCVEGCSA-N 1 2 316.336 3.128 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](n4cccn4)C3)c2c1 ZINC000413113020 534884166 /nfs/dbraw/zinc/88/41/66/534884166.db2.gz KWQBASIQBNGCBJ-OAHLLOKOSA-N 1 2 323.356 3.181 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(O)CCCCC3)c2c1 ZINC000413101887 534884722 /nfs/dbraw/zinc/88/47/22/534884722.db2.gz HJMNZPACCBJZSV-UHFFFAOYSA-N 1 2 301.346 3.250 20 5 DGBDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000444779753 527916299 /nfs/dbraw/zinc/91/62/99/527916299.db2.gz LKIVURKCGSUSEW-KRWDZBQOSA-N 1 2 320.389 3.293 20 5 DGBDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000444779753 527916305 /nfs/dbraw/zinc/91/63/05/527916305.db2.gz LKIVURKCGSUSEW-KRWDZBQOSA-N 1 2 320.389 3.293 20 5 DGBDLO CC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000413181447 527990134 /nfs/dbraw/zinc/99/01/34/527990134.db2.gz FJLZMCHWXWLWIU-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DGBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000155122481 528015670 /nfs/dbraw/zinc/01/56/70/528015670.db2.gz MKCCMBOEIMIWGA-UHFFFAOYSA-N 1 2 321.421 3.018 20 5 DGBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000155122481 528015673 /nfs/dbraw/zinc/01/56/73/528015673.db2.gz MKCCMBOEIMIWGA-UHFFFAOYSA-N 1 2 321.421 3.018 20 5 DGBDLO CCC(=O)c1ccc(NCc2c[nH+]ccc2OC)c([N+](=O)[O-])c1 ZINC000292787543 528459607 /nfs/dbraw/zinc/45/96/07/528459607.db2.gz QGVGBDULDWXVEO-UHFFFAOYSA-N 1 2 315.329 3.203 20 5 DGBDLO NC(=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000734834064 574679781 /nfs/dbraw/zinc/67/97/81/574679781.db2.gz ANTCZTLAWOHSIC-UHFFFAOYSA-N 1 2 323.711 3.434 20 5 DGBDLO Cc1cccn2cc(COc3ccc([N+](=O)[O-])c(F)c3)[nH+]c12 ZINC000728202089 576168537 /nfs/dbraw/zinc/16/85/37/576168537.db2.gz XKWLVTUKYOFGTQ-UHFFFAOYSA-N 1 2 301.277 3.269 20 5 DGBDLO CC[N@@H+](Cc1ccc2ccccc2c1)Cn1nccc1[N+](=O)[O-] ZINC000919953894 620773662 /nfs/dbraw/zinc/77/36/62/620773662.db2.gz OWOKMSBSEGANBN-UHFFFAOYSA-N 1 2 310.357 3.424 20 5 DGBDLO CC[N@H+](Cc1ccc2ccccc2c1)Cn1nccc1[N+](=O)[O-] ZINC000919953894 620773664 /nfs/dbraw/zinc/77/36/64/620773664.db2.gz OWOKMSBSEGANBN-UHFFFAOYSA-N 1 2 310.357 3.424 20 5 DGBDLO Cc1cc(NCc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000895484708 618791845 /nfs/dbraw/zinc/79/18/45/618791845.db2.gz VDDPHTYACAEUDE-UHFFFAOYSA-N 1 2 306.391 3.033 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCc4cccnc43)nc2c1 ZINC000897070110 619011407 /nfs/dbraw/zinc/01/14/07/619011407.db2.gz CAPGMCIRKINGLX-CYBMUJFWSA-N 1 2 324.340 3.298 20 5 DGBDLO COc1cc([C@H](C)[NH2+][C@@H](C)c2cscn2)cc([N+](=O)[O-])c1 ZINC000903200458 619735570 /nfs/dbraw/zinc/73/55/70/619735570.db2.gz SEBZCBJLFBNBPC-UWVGGRQHSA-N 1 2 307.375 3.472 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000759914055 621901942 /nfs/dbraw/zinc/90/19/42/621901942.db2.gz CTAVSBGEURKQCS-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000759914055 621901947 /nfs/dbraw/zinc/90/19/47/621901947.db2.gz CTAVSBGEURKQCS-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO CC(C)(C)c1cn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c[nH+]1 ZINC000865374328 621905027 /nfs/dbraw/zinc/90/50/27/621905027.db2.gz CBCFRNOIVMCMRT-UHFFFAOYSA-N 1 2 317.345 3.004 20 5 DGBDLO COc1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1O ZINC000872030266 622762540 /nfs/dbraw/zinc/76/25/40/622762540.db2.gz BXKNZNPMCVXNCN-SNVBAGLBSA-N 1 2 320.320 3.299 20 5 DGBDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000877523645 623923776 /nfs/dbraw/zinc/92/37/76/623923776.db2.gz MFUGCWKKECZKPS-OAHLLOKOSA-N 1 2 316.361 3.240 20 5 DGBDLO Cc1noc([C@H]2CCC[N@H+]2Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000877523645 623923782 /nfs/dbraw/zinc/92/37/82/623923782.db2.gz MFUGCWKKECZKPS-OAHLLOKOSA-N 1 2 316.361 3.240 20 5 DGBDLO O=C(OCCCCCF)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000792203050 625925682 /nfs/dbraw/zinc/92/56/82/625925682.db2.gz GZGHSNFVVBXADP-UHFFFAOYSA-N 1 2 321.308 3.077 20 5 DGBDLO CC(C)COCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000800353542 626353380 /nfs/dbraw/zinc/35/33/80/626353380.db2.gz YDMLTSMIUUWWSN-UHFFFAOYSA-N 1 2 300.786 3.353 20 5 DGBDLO CC(C)COCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000800353542 626353381 /nfs/dbraw/zinc/35/33/81/626353381.db2.gz YDMLTSMIUUWWSN-UHFFFAOYSA-N 1 2 300.786 3.353 20 5 DGBDLO CN(C)c1cc(COc2ccc(Cl)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000808056092 626789718 /nfs/dbraw/zinc/78/97/18/626789718.db2.gz CBCULTRNDVJCOC-UHFFFAOYSA-N 1 2 307.737 3.288 20 5 DGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886120701 627108354 /nfs/dbraw/zinc/10/83/54/627108354.db2.gz LUOUMZBOAJQNGN-GXSJLCMTSA-N 1 2 303.284 3.153 20 5 DGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886120701 627108355 /nfs/dbraw/zinc/10/83/55/627108355.db2.gz LUOUMZBOAJQNGN-GXSJLCMTSA-N 1 2 303.284 3.153 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000886361796 627142997 /nfs/dbraw/zinc/14/29/97/627142997.db2.gz WBGXARWFASXMGA-HNNXBMFYSA-N 1 2 302.305 3.217 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000886684092 627189276 /nfs/dbraw/zinc/18/92/76/627189276.db2.gz FBBIUWSWJCKXGE-SNVBAGLBSA-N 1 2 317.345 3.320 20 5 DGBDLO Cc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]n1 ZINC000811482369 627279702 /nfs/dbraw/zinc/27/97/02/627279702.db2.gz WCGSLNHMJNMFBG-UHFFFAOYSA-N 1 2 315.160 3.223 20 5 DGBDLO C[C@H]1CCOCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815085341 627624456 /nfs/dbraw/zinc/62/44/56/627624456.db2.gz SNKUJCCUTWHTJI-JTQLQIEISA-N 1 2 318.295 3.224 20 5 DGBDLO C[C@H]1CCOCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815085341 627624459 /nfs/dbraw/zinc/62/44/59/627624459.db2.gz SNKUJCCUTWHTJI-JTQLQIEISA-N 1 2 318.295 3.224 20 5 DGBDLO COc1ccc(C[NH2+][C@@H]2CCCc3oc(C)nc32)cc1[N+](=O)[O-] ZINC000924843120 627686326 /nfs/dbraw/zinc/68/63/26/627686326.db2.gz YLIJZRGQFGRKGG-GFCCVEGCSA-N 1 2 317.345 3.067 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2coc(CC)n2)cc1[N+](=O)[O-] ZINC000834899525 629802638 /nfs/dbraw/zinc/80/26/38/629802638.db2.gz QPWAMFAGWOBSKQ-NSHDSACASA-N 1 2 319.361 3.395 20 5 DGBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[NH+]2CCC(F)(F)CC2)c1 ZINC000848487408 631670307 /nfs/dbraw/zinc/67/03/07/631670307.db2.gz RUCXAXAOMXXXOY-UHFFFAOYSA-N 1 2 322.315 3.147 20 5 DGBDLO C[C@]1(F)CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848490090 631670348 /nfs/dbraw/zinc/67/03/48/631670348.db2.gz LRVGNNDVRPEMRD-INIZCTEOSA-N 1 2 318.352 3.240 20 5 DGBDLO C[C@]1(F)CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848490090 631670350 /nfs/dbraw/zinc/67/03/50/631670350.db2.gz LRVGNNDVRPEMRD-INIZCTEOSA-N 1 2 318.352 3.240 20 5 DGBDLO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000851821465 632503057 /nfs/dbraw/zinc/50/30/57/632503057.db2.gz VZCPYRYMKQRPBT-GFCCVEGCSA-N 1 2 320.723 3.104 20 5 DGBDLO C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000851821465 632503064 /nfs/dbraw/zinc/50/30/64/632503064.db2.gz VZCPYRYMKQRPBT-GFCCVEGCSA-N 1 2 320.723 3.104 20 5 DGBDLO O=[N+]([O-])c1cccc(-c2cnn(C[NH+]3CCC(F)(F)CC3)c2)c1 ZINC000794688568 661099011 /nfs/dbraw/zinc/09/90/11/661099011.db2.gz PQYKMUGOPFGTCP-UHFFFAOYSA-N 1 2 322.315 3.147 20 5 DGBDLO O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171297080 659272715 /nfs/dbraw/zinc/27/27/15/659272715.db2.gz FVAXELKZEXLXIL-UHFFFAOYSA-N 1 2 323.308 3.138 20 5 DGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H]1C ZINC000245459678 662233708 /nfs/dbraw/zinc/23/37/08/662233708.db2.gz VLYWWKZVZYQALW-NXEZZACHSA-N 1 2 311.769 3.060 20 5 DGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H]1C ZINC000245459678 662233710 /nfs/dbraw/zinc/23/37/10/662233710.db2.gz VLYWWKZVZYQALW-NXEZZACHSA-N 1 2 311.769 3.060 20 5 DGBDLO Cc1cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001584182888 1192182891 /nfs/dbraw/zinc/18/28/91/1192182891.db2.gz CDNGKTBVFJXOKI-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO Cc1[nH+]c(NCc2cccc([N+](=O)[O-])c2)ccc1-c1cnn(C)c1 ZINC001620947242 1192643043 /nfs/dbraw/zinc/64/30/43/1192643043.db2.gz PFECUZKHCZVWRI-UHFFFAOYSA-N 1 2 323.356 3.311 20 5 DGBDLO COc1c(O)ccc(C[N@H+](C)[C@H](C)c2ccco2)c1[N+](=O)[O-] ZINC001351947770 1180265739 /nfs/dbraw/zinc/26/57/39/1180265739.db2.gz HJQZZFONVIBBRO-SNVBAGLBSA-N 1 2 306.318 3.095 20 5 DGBDLO COc1c(O)ccc(C[N@@H+](C)[C@H](C)c2ccco2)c1[N+](=O)[O-] ZINC001351947770 1180265742 /nfs/dbraw/zinc/26/57/42/1180265742.db2.gz HJQZZFONVIBBRO-SNVBAGLBSA-N 1 2 306.318 3.095 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)sn1 ZINC001473829017 1181581301 /nfs/dbraw/zinc/58/13/01/1181581301.db2.gz ZMVMZBTUQOSIOS-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)sn1 ZINC001473829017 1181581304 /nfs/dbraw/zinc/58/13/04/1181581304.db2.gz ZMVMZBTUQOSIOS-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO COc1ccccc1Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001459303090 1182578827 /nfs/dbraw/zinc/57/88/27/1182578827.db2.gz SFGFTTACHBASFB-UHFFFAOYSA-N 1 2 323.352 3.439 20 5 DGBDLO CCCC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC001462060509 1182903173 /nfs/dbraw/zinc/90/31/73/1182903173.db2.gz NHBINTFHAWGRCB-HIFRSBDPSA-N 1 2 322.405 3.237 20 5 DGBDLO Nc1[nH+]cccc1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001472786941 1183681268 /nfs/dbraw/zinc/68/12/68/1183681268.db2.gz SNQNVAUZFPTQHP-UHFFFAOYSA-N 1 2 313.144 3.491 20 5 DGBDLO CCNc1cc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC001472847926 1183689745 /nfs/dbraw/zinc/68/97/45/1183689745.db2.gz RKKYFURXIITWET-UHFFFAOYSA-N 1 2 307.741 3.082 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2[nH]c3c([nH+]2)CCCC3)c(Cl)c1 ZINC001472887225 1183695950 /nfs/dbraw/zinc/69/59/50/1183695950.db2.gz QXTXPITZMAOYEY-UHFFFAOYSA-N 1 2 306.753 3.462 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001524628817 1187254939 /nfs/dbraw/zinc/25/49/39/1187254939.db2.gz LJFDYGWGAZHOCU-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO COc1nscc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001615273003 1193519070 /nfs/dbraw/zinc/51/90/70/1193519070.db2.gz VNMHCFPPJHMQJP-UHFFFAOYSA-N 1 2 321.402 3.471 20 5 DGBDLO COc1nscc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001615273003 1193519073 /nfs/dbraw/zinc/51/90/73/1193519073.db2.gz VNMHCFPPJHMQJP-UHFFFAOYSA-N 1 2 321.402 3.471 20 5 DGBDLO C[C@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001535809704 1187978720 /nfs/dbraw/zinc/97/87/20/1187978720.db2.gz LNVAGHNJDWRRMP-AAEUAGOBSA-N 1 2 315.329 3.126 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])ccn12 ZINC001537380552 1188070261 /nfs/dbraw/zinc/07/02/61/1188070261.db2.gz ZWLPTKWBVZNDLL-LBPRGKRZSA-N 1 2 324.340 3.042 20 5 DGBDLO CCNc1ccc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c[nH+]1 ZINC001559304924 1189195180 /nfs/dbraw/zinc/19/51/80/1189195180.db2.gz OCYBRGAFOXRNNV-UHFFFAOYSA-N 1 2 303.278 3.073 20 5 DGBDLO Cc1cc(C)c(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC001570327701 1190839063 /nfs/dbraw/zinc/83/90/63/1190839063.db2.gz VVVXBVBFUZOTSK-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO C[N@@H+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC001640101531 1194796927 /nfs/dbraw/zinc/79/69/27/1194796927.db2.gz AQZBQSRUWVSDBY-UHFFFAOYSA-N 1 2 318.204 3.432 20 5 DGBDLO C[N@H+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC001640101531 1194796933 /nfs/dbraw/zinc/79/69/33/1194796933.db2.gz AQZBQSRUWVSDBY-UHFFFAOYSA-N 1 2 318.204 3.432 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCCn2c[nH+]cc2-c2ccccc2)n1 ZINC001643002273 1194959342 /nfs/dbraw/zinc/95/93/42/1194959342.db2.gz GLHRSKWEJAAGNS-UHFFFAOYSA-N 1 2 323.356 3.274 20 5 DGBDLO CCc1ccc2c(c1)C[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC001648675894 1195321918 /nfs/dbraw/zinc/32/19/18/1195321918.db2.gz UPELNXFJTKSHEI-UHFFFAOYSA-N 1 2 301.346 3.012 20 5 DGBDLO CCc1ccc2c(c1)C[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC001648675894 1195321920 /nfs/dbraw/zinc/32/19/20/1195321920.db2.gz UPELNXFJTKSHEI-UHFFFAOYSA-N 1 2 301.346 3.012 20 5 DGBDLO O=[N+]([O-])c1c(NCc2ccn3cc[nH+]c3c2)ccc2cnccc21 ZINC001650860228 1195389549 /nfs/dbraw/zinc/38/95/49/1195389549.db2.gz SECHRLVDOAERIR-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC001653056189 1195684709 /nfs/dbraw/zinc/68/47/09/1195684709.db2.gz OZYDDTWCWZQYQG-CYBMUJFWSA-N 1 2 323.356 3.026 20 5 DGBDLO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC001653190142 1195696463 /nfs/dbraw/zinc/69/64/63/1195696463.db2.gz AIRUGBUSKICALE-JTQLQIEISA-N 1 2 314.370 3.450 20 5 DGBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001655170624 1195886247 /nfs/dbraw/zinc/88/62/47/1195886247.db2.gz ZQQMZPSDFNHVLT-QGZVFWFLSA-N 1 2 320.389 3.291 20 5 DGBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001655170624 1195886251 /nfs/dbraw/zinc/88/62/51/1195886251.db2.gz ZQQMZPSDFNHVLT-QGZVFWFLSA-N 1 2 320.389 3.291 20 5 DGBDLO CCC(=O)c1ccc(NCc2[nH]c(C)c(C)[nH+]2)c([N+](=O)[O-])c1 ZINC001655875280 1195972034 /nfs/dbraw/zinc/97/20/34/1195972034.db2.gz AMWCLINJXLIXCU-UHFFFAOYSA-N 1 2 302.334 3.140 20 5 DGBDLO C[C@]12C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001660402117 1196480238 /nfs/dbraw/zinc/48/02/38/1196480238.db2.gz FTVUUUQDQHRBID-MAQMMGONSA-N 1 2 302.374 3.168 20 5 DGBDLO C[C@]12C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001660402117 1196480241 /nfs/dbraw/zinc/48/02/41/1196480241.db2.gz FTVUUUQDQHRBID-MAQMMGONSA-N 1 2 302.374 3.168 20 5 DGBDLO O=[N+]([O-])c1c(Cl)ccnc1NCc1c[nH+]cn1CC1CCC1 ZINC001161529360 1089270586 /nfs/dbraw/zinc/27/05/86/1089270586.db2.gz IOAQTQGMEIKRKF-UHFFFAOYSA-N 1 2 321.768 3.252 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)nc(NCc2c[nH+]cn2CC2CCC2)c1 ZINC001161530144 1089272559 /nfs/dbraw/zinc/27/25/59/1089272559.db2.gz VDQWCJUQWWTIOP-UHFFFAOYSA-N 1 2 321.768 3.252 20 5 DGBDLO Nc1cc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)ncc1[N+](=O)[O-] ZINC001155960123 1089315550 /nfs/dbraw/zinc/31/55/50/1089315550.db2.gz QCAIKRMWNVSUIN-UHFFFAOYSA-N 1 2 315.377 3.178 20 5 DGBDLO Cc1cc(Cl)nc(NCc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC001163136230 1090086667 /nfs/dbraw/zinc/08/66/67/1090086667.db2.gz CYRLDYNHVPEFQF-UHFFFAOYSA-N 1 2 317.736 3.211 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(NCc2[nH]c3c([nH+]2)CCCC3)c(F)c1 ZINC001164221317 1090376543 /nfs/dbraw/zinc/37/65/43/1090376543.db2.gz WFUVADCIJKTTSN-UHFFFAOYSA-N 1 2 308.288 3.087 20 5 DGBDLO Cc1c(C[NH2+]Cc2c(F)nccc2Cl)cccc1[N+](=O)[O-] ZINC001205403528 1091212745 /nfs/dbraw/zinc/21/27/45/1091212745.db2.gz YHCZDQRCASBGCE-UHFFFAOYSA-N 1 2 309.728 3.381 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@@H]2c2ccccc2Cl)C1 ZINC001169047629 1092507455 /nfs/dbraw/zinc/50/74/55/1092507455.db2.gz RUYIEEPNGVJTPU-XJKCOSOUSA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@@H]2c2ccccc2Cl)C1 ZINC001169047629 1092507468 /nfs/dbraw/zinc/50/74/68/1092507468.db2.gz RUYIEEPNGVJTPU-XJKCOSOUSA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])c1cc(F)cc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001216481473 1094205780 /nfs/dbraw/zinc/20/57/80/1094205780.db2.gz MUJSLEPZPHSKGA-UHFFFAOYSA-N 1 2 302.309 3.473 20 5 DGBDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1c2ccccc2cc2ccccc21 ZINC001218349868 1094730373 /nfs/dbraw/zinc/73/03/73/1094730373.db2.gz FOEZPHMKIGFSTO-MSOLQXFVSA-N 1 2 321.376 3.275 20 5 DGBDLO Cn1c[nH+]cc1CO[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001222600366 1095685219 /nfs/dbraw/zinc/68/52/19/1095685219.db2.gz NKKOAJBMYUUTLL-LBPRGKRZSA-N 1 2 315.251 3.149 20 5 DGBDLO CC(C)[NH+]1CC(Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226301533 1096656393 /nfs/dbraw/zinc/65/63/93/1096656393.db2.gz LVTGBZGUWRPDPY-UHFFFAOYSA-N 1 2 304.268 3.085 20 5 DGBDLO Cc1cc[nH+]c(C)c1O[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227263716 1096908444 /nfs/dbraw/zinc/90/84/44/1096908444.db2.gz HEFLGBAHBHKCDH-NSHDSACASA-N 1 2 316.313 3.475 20 5 DGBDLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214849 1097366739 /nfs/dbraw/zinc/36/67/39/1097366739.db2.gz QVUITUZBUFYPIK-CZUORRHYSA-N 1 2 322.405 3.093 20 5 DGBDLO CC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001173217851 1097368689 /nfs/dbraw/zinc/36/86/89/1097368689.db2.gz GUHHSXGOZGPVNC-DOMZBBRYSA-N 1 2 322.405 3.236 20 5 DGBDLO CCN1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H](C)C1 ZINC001232227188 1097974193 /nfs/dbraw/zinc/97/41/93/1097974193.db2.gz HIARJJLGHYFGHM-OAHLLOKOSA-N 1 2 320.440 3.309 20 5 DGBDLO CCN1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H](C)C1 ZINC001232227188 1097974198 /nfs/dbraw/zinc/97/41/98/1097974198.db2.gz HIARJJLGHYFGHM-OAHLLOKOSA-N 1 2 320.440 3.309 20 5 DGBDLO O=[N+]([O-])c1cc(-c2nnc(C3CCC3)o2)ccc1-n1cc[nH+]c1 ZINC001326251077 1103246608 /nfs/dbraw/zinc/24/66/08/1103246608.db2.gz NTZBGCIZRZSGSJ-UHFFFAOYSA-N 1 2 311.301 3.098 20 5 DGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+](CC(F)F)C2CCC2)cc1 ZINC001308082336 1111375455 /nfs/dbraw/zinc/37/54/55/1111375455.db2.gz VYULQURTUAMJJI-UHFFFAOYSA-N 1 2 314.332 3.483 20 5 DGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+](CC(F)F)C2CCC2)cc1 ZINC001308082336 1111375458 /nfs/dbraw/zinc/37/54/58/1111375458.db2.gz VYULQURTUAMJJI-UHFFFAOYSA-N 1 2 314.332 3.483 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(CC(C)C)no2)cc1[N+](=O)[O-] ZINC000181830329 199358346 /nfs/dbraw/zinc/35/83/46/199358346.db2.gz GMXUTRPNVNHMHK-LBPRGKRZSA-N 1 2 318.377 3.336 20 5 DGBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103966780 432014191 /nfs/dbraw/zinc/01/41/91/432014191.db2.gz YMOWQSHRNGDYDI-UHFFFAOYSA-N 1 2 322.324 3.166 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000107288848 432029965 /nfs/dbraw/zinc/02/99/65/432029965.db2.gz QTHFGQDBULPRRU-UHFFFAOYSA-N 1 2 312.329 3.125 20 5 DGBDLO Cc1ccc2[nH+]cc(CN(C)Cc3ccccc3[N+](=O)[O-])n2c1 ZINC000179316930 432054182 /nfs/dbraw/zinc/05/41/82/432054182.db2.gz PTMUMHFIKQEEMM-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cc1ccc2ncc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])n2c1 ZINC000179316930 432054183 /nfs/dbraw/zinc/05/41/83/432054183.db2.gz PTMUMHFIKQEEMM-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cc1ccc2ncc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])n2c1 ZINC000179316930 432054184 /nfs/dbraw/zinc/05/41/84/432054184.db2.gz PTMUMHFIKQEEMM-UHFFFAOYSA-N 1 2 310.357 3.183 20 5 DGBDLO Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000292352561 223014623 /nfs/dbraw/zinc/01/46/23/223014623.db2.gz CDOJLHGBCKQDNZ-ZBEGNZNMSA-N 1 2 318.352 3.326 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000134011875 432073310 /nfs/dbraw/zinc/07/33/10/432073310.db2.gz WUQRNNVTXAJWCI-MLGOLLRUSA-N 1 2 300.362 3.187 20 5 DGBDLO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000179803679 199082054 /nfs/dbraw/zinc/08/20/54/199082054.db2.gz XOLNNCIEXCTFSH-AWEZNQCLSA-N 1 2 316.361 3.342 20 5 DGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000179863491 199089639 /nfs/dbraw/zinc/08/96/39/199089639.db2.gz GFXFSRHDMGLAPT-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000179863491 199089641 /nfs/dbraw/zinc/08/96/41/199089641.db2.gz GFXFSRHDMGLAPT-LBPRGKRZSA-N 1 2 302.330 3.076 20 5 DGBDLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000180442198 199159627 /nfs/dbraw/zinc/15/96/27/199159627.db2.gz BDJYDWLUIHIZCC-SNVBAGLBSA-N 1 2 304.350 3.126 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2sccc2C1 ZINC000430208951 238070941 /nfs/dbraw/zinc/07/09/41/238070941.db2.gz QAVCVWGTXMCRDW-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2sccc2C1 ZINC000430208951 238070942 /nfs/dbraw/zinc/07/09/42/238070942.db2.gz QAVCVWGTXMCRDW-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000281360802 216248465 /nfs/dbraw/zinc/24/84/65/216248465.db2.gz UWFVUKKNVSAQQG-INIZCTEOSA-N 1 2 314.389 3.364 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000281360802 216248468 /nfs/dbraw/zinc/24/84/68/216248468.db2.gz UWFVUKKNVSAQQG-INIZCTEOSA-N 1 2 314.389 3.364 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2ccccc2)c(Cl)c1 ZINC000195083079 201336090 /nfs/dbraw/zinc/33/60/90/201336090.db2.gz NDZYJWDZHGUBQH-UHFFFAOYSA-N 1 2 320.776 3.243 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2ccccc2)c(Cl)c1 ZINC000195083079 201336094 /nfs/dbraw/zinc/33/60/94/201336094.db2.gz NDZYJWDZHGUBQH-UHFFFAOYSA-N 1 2 320.776 3.243 20 5 DGBDLO Cc1cccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000275456244 212344327 /nfs/dbraw/zinc/34/43/27/212344327.db2.gz MEFZBLGJUGGGQZ-DOMZBBRYSA-N 1 2 300.362 3.187 20 5 DGBDLO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1COC1 ZINC000449428192 240196635 /nfs/dbraw/zinc/19/66/35/240196635.db2.gz UPBYQCQKZXURSF-UHFFFAOYSA-N 1 2 302.330 3.076 20 5 DGBDLO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1COC1 ZINC000449428192 240196639 /nfs/dbraw/zinc/19/66/39/240196639.db2.gz UPBYQCQKZXURSF-UHFFFAOYSA-N 1 2 302.330 3.076 20 5 DGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000455088139 242105147 /nfs/dbraw/zinc/10/51/47/242105147.db2.gz ZGFSJDNRKLMDGY-NSHDSACASA-N 1 2 317.349 3.002 20 5 DGBDLO Cc1cc(C)c(NC(=O)NCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000455469309 242208553 /nfs/dbraw/zinc/20/85/53/242208553.db2.gz HRKKQEVBMCIEEZ-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO Cc1ccn2c(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cnc2c1 ZINC000093338291 193234796 /nfs/dbraw/zinc/23/47/96/193234796.db2.gz INUDVMQGZYOCND-UHFFFAOYSA-N 1 2 322.368 3.109 20 5 DGBDLO Cc1ccn2c(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cnc2c1 ZINC000093338291 193234798 /nfs/dbraw/zinc/23/47/98/193234798.db2.gz INUDVMQGZYOCND-UHFFFAOYSA-N 1 2 322.368 3.109 20 5 DGBDLO Cc1ccn2c(CN3CCc4ccc([N+](=O)[O-])cc4C3)c[nH+]c2c1 ZINC000093338291 193234800 /nfs/dbraw/zinc/23/48/00/193234800.db2.gz INUDVMQGZYOCND-UHFFFAOYSA-N 1 2 322.368 3.109 20 5 DGBDLO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000264929552 204279045 /nfs/dbraw/zinc/27/90/45/204279045.db2.gz OUUKHEXCRUHJTC-GFCCVEGCSA-N 1 2 311.345 3.088 20 5 DGBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1[nH]cc[nH+]1 ZINC000282732334 217209163 /nfs/dbraw/zinc/20/91/63/217209163.db2.gz CQHUMWOPCNAZCY-GFCCVEGCSA-N 1 2 322.752 3.098 20 5 DGBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1[nH]cc[nH+]1 ZINC000282732335 217209586 /nfs/dbraw/zinc/20/95/86/217209586.db2.gz CQHUMWOPCNAZCY-LBPRGKRZSA-N 1 2 322.752 3.098 20 5 DGBDLO CSc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000017820886 182086399 /nfs/dbraw/zinc/08/63/99/182086399.db2.gz TXLJLKFPEPYIPM-UHFFFAOYSA-N 1 2 303.343 3.272 20 5 DGBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000266773204 205587897 /nfs/dbraw/zinc/58/78/97/205587897.db2.gz BFPJXOYCYPNTEX-NWDGAFQWSA-N 1 2 311.345 3.049 20 5 DGBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000493543754 246005524 /nfs/dbraw/zinc/00/55/24/246005524.db2.gz AYKYOHANKRMYDQ-AATRIKPKSA-N 1 2 314.345 3.080 20 5 DGBDLO COc1cc(NCCc2ccc(C)c[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000413347627 533034673 /nfs/dbraw/zinc/03/46/73/533034673.db2.gz ASNFUWADWYQFEU-UHFFFAOYSA-N 1 2 305.309 3.101 20 5 DGBDLO Cc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(C2CC2)[nH+]1 ZINC000337805520 253177293 /nfs/dbraw/zinc/17/72/93/253177293.db2.gz KJHMWLUXWBYNNS-UHFFFAOYSA-N 1 2 312.373 3.250 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000338692915 253335610 /nfs/dbraw/zinc/33/56/10/253335610.db2.gz LPKYOLLFLITVCE-UHFFFAOYSA-N 1 2 324.340 3.401 20 5 DGBDLO C[N@H+](CCCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338906584 253367020 /nfs/dbraw/zinc/36/70/20/253367020.db2.gz WMQFFSVJKVQXTR-UHFFFAOYSA-N 1 2 300.358 3.365 20 5 DGBDLO C[N@@H+](CCCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338906584 253367022 /nfs/dbraw/zinc/36/70/22/253367022.db2.gz WMQFFSVJKVQXTR-UHFFFAOYSA-N 1 2 300.358 3.365 20 5 DGBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000338996854 253386437 /nfs/dbraw/zinc/38/64/37/253386437.db2.gz IKZQYGJGQFYIMS-INIZCTEOSA-N 1 2 312.369 3.290 20 5 DGBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000338996854 253386439 /nfs/dbraw/zinc/38/64/39/253386439.db2.gz IKZQYGJGQFYIMS-INIZCTEOSA-N 1 2 312.369 3.290 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411955309 285155667 /nfs/dbraw/zinc/15/56/67/285155667.db2.gz VLWJOTBSLIYNST-SUMWQHHRSA-N 1 2 316.332 3.042 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411955309 285155670 /nfs/dbraw/zinc/15/56/70/285155670.db2.gz VLWJOTBSLIYNST-SUMWQHHRSA-N 1 2 316.332 3.042 20 5 DGBDLO Cn1cc[nH+]c1[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000343271131 254122459 /nfs/dbraw/zinc/12/24/59/254122459.db2.gz ARMZROMBECYLJY-GFCCVEGCSA-N 1 2 308.288 3.170 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCc2occc2C1 ZINC000344237345 254243313 /nfs/dbraw/zinc/24/33/13/254243313.db2.gz NVVDSHIFIGVWOB-UHFFFAOYSA-N 1 2 302.330 3.145 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCc2occc2C1 ZINC000344237345 254243314 /nfs/dbraw/zinc/24/33/14/254243314.db2.gz NVVDSHIFIGVWOB-UHFFFAOYSA-N 1 2 302.330 3.145 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCc4occc4C3)nc2c1 ZINC000344291533 254251438 /nfs/dbraw/zinc/25/14/38/254251438.db2.gz SXTPOVURVLDZGP-UHFFFAOYSA-N 1 2 312.329 3.013 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCc4occc4C3)nc2c1 ZINC000344291533 254251440 /nfs/dbraw/zinc/25/14/40/254251440.db2.gz SXTPOVURVLDZGP-UHFFFAOYSA-N 1 2 312.329 3.013 20 5 DGBDLO CCC[C@@H]([NH2+][C@@H](C)c1nnc(CC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000271559708 209012492 /nfs/dbraw/zinc/01/24/92/209012492.db2.gz UDGMLQDAIIRAHB-SMDDNHRTSA-N 1 2 317.393 3.467 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@H]1CO ZINC000289705830 221167779 /nfs/dbraw/zinc/16/77/79/221167779.db2.gz FYUGCAOWFUFNJQ-NSHDSACASA-N 1 2 319.188 3.248 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC[C@H]1CO ZINC000289705830 221167781 /nfs/dbraw/zinc/16/77/81/221167781.db2.gz FYUGCAOWFUFNJQ-NSHDSACASA-N 1 2 319.188 3.248 20 5 DGBDLO COCc1nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000289749825 221201113 /nfs/dbraw/zinc/20/11/13/221201113.db2.gz LBFSQBJVGFAQKE-SNVBAGLBSA-N 1 2 307.375 3.049 20 5 DGBDLO CC(C)c1ccc(CN(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000357216740 285679528 /nfs/dbraw/zinc/67/95/28/285679528.db2.gz SSESQUONWYDYGI-UHFFFAOYSA-N 1 2 302.378 3.084 20 5 DGBDLO Cc1noc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000595287735 400117800 /nfs/dbraw/zinc/11/78/00/400117800.db2.gz GTUIYUUBWGBYCA-UHFFFAOYSA-N 1 2 317.320 3.320 20 5 DGBDLO Cc1noc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000595287735 400117802 /nfs/dbraw/zinc/11/78/02/400117802.db2.gz GTUIYUUBWGBYCA-UHFFFAOYSA-N 1 2 317.320 3.320 20 5 DGBDLO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)Cn1cc[nH+]c1 ZINC000092612546 400185724 /nfs/dbraw/zinc/18/57/24/400185724.db2.gz CZCPIPPDZLKWQA-GFCCVEGCSA-N 1 2 311.345 3.088 20 5 DGBDLO CCOc1cccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595414502 400143073 /nfs/dbraw/zinc/14/30/73/400143073.db2.gz KTWWHVUSZWNFHO-SNVBAGLBSA-N 1 2 305.334 3.141 20 5 DGBDLO Cc1cc(N[C@H]2CCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000609193696 400150168 /nfs/dbraw/zinc/15/01/68/400150168.db2.gz XHTZSCZTCRATPD-NHYWBVRUSA-N 1 2 312.373 3.383 20 5 DGBDLO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595454686 400154795 /nfs/dbraw/zinc/15/47/95/400154795.db2.gz NNPASNCZZDBOFQ-FMIVXFBMSA-N 1 2 301.346 3.427 20 5 DGBDLO C/C(=C\c1ccccc1)C[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595454686 400154800 /nfs/dbraw/zinc/15/48/00/400154800.db2.gz NNPASNCZZDBOFQ-FMIVXFBMSA-N 1 2 301.346 3.427 20 5 DGBDLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1onc(C)c1[N+](=O)[O-] ZINC000595457882 400156024 /nfs/dbraw/zinc/15/60/24/400156024.db2.gz FTYLDYNKBKHWOT-UHFFFAOYSA-N 1 2 314.345 3.395 20 5 DGBDLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1onc(C)c1[N+](=O)[O-] ZINC000595457882 400156031 /nfs/dbraw/zinc/15/60/31/400156031.db2.gz FTYLDYNKBKHWOT-UHFFFAOYSA-N 1 2 314.345 3.395 20 5 DGBDLO CSc1ccccc1[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595472809 400161281 /nfs/dbraw/zinc/16/12/81/400161281.db2.gz QQZKWACOHNYGMW-SECBINFHSA-N 1 2 307.375 3.464 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000595488062 400166842 /nfs/dbraw/zinc/16/68/42/400166842.db2.gz CDYBKBPPSQPMHA-JKSUJKDBSA-N 1 2 320.364 3.267 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000595488062 400166844 /nfs/dbraw/zinc/16/68/44/400166844.db2.gz CDYBKBPPSQPMHA-JKSUJKDBSA-N 1 2 320.364 3.267 20 5 DGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000595759178 400251743 /nfs/dbraw/zinc/25/17/43/400251743.db2.gz IVHOKSQKQUVDBU-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO COc1ccc2c(c1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000595759178 400251746 /nfs/dbraw/zinc/25/17/46/400251746.db2.gz IVHOKSQKQUVDBU-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO Cc1cccn2cc(CNc3ccc(F)cc3[N+](=O)[O-])[nH+]c12 ZINC000092826033 400206411 /nfs/dbraw/zinc/20/64/11/400206411.db2.gz JUHJAHWKCLPCKB-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO Cc1c(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595912767 400293746 /nfs/dbraw/zinc/29/37/46/400293746.db2.gz BCIOLTURJGZSTR-BMIGLBTASA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595912767 400293749 /nfs/dbraw/zinc/29/37/49/400293749.db2.gz BCIOLTURJGZSTR-BMIGLBTASA-N 1 2 314.332 3.148 20 5 DGBDLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093868493 400261191 /nfs/dbraw/zinc/26/11/91/400261191.db2.gz HHCGXWWYPAVVJD-TZMCWYRMSA-N 1 2 310.419 3.406 20 5 DGBDLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093868493 400261193 /nfs/dbraw/zinc/26/11/93/400261193.db2.gz HHCGXWWYPAVVJD-TZMCWYRMSA-N 1 2 310.419 3.406 20 5 DGBDLO O=[N+]([O-])c1sccc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596356276 400389694 /nfs/dbraw/zinc/38/96/94/400389694.db2.gz KNFHNEDXVMEYLW-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCc2sccc2C1 ZINC000611271182 400369209 /nfs/dbraw/zinc/36/92/09/400369209.db2.gz TXIMQUAIZXIVQG-UHFFFAOYSA-N 1 2 304.371 3.310 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCc2sccc2C1 ZINC000611271182 400369213 /nfs/dbraw/zinc/36/92/13/400369213.db2.gz TXIMQUAIZXIVQG-UHFFFAOYSA-N 1 2 304.371 3.310 20 5 DGBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC(C)(C)O1 ZINC000591140108 400492259 /nfs/dbraw/zinc/49/22/59/400492259.db2.gz WCDQQPXOGRCZBV-LLVKDONJSA-N 1 2 301.346 3.147 20 5 DGBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000126385352 400492320 /nfs/dbraw/zinc/49/23/20/400492320.db2.gz JUHDJEIXWPJZNW-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000126385352 400492323 /nfs/dbraw/zinc/49/23/23/400492323.db2.gz JUHDJEIXWPJZNW-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1cc(C)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000602681050 400537094 /nfs/dbraw/zinc/53/70/94/400537094.db2.gz IYLWTSPIYFFUCK-UHFFFAOYSA-N 1 2 312.329 3.038 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592186812 400621377 /nfs/dbraw/zinc/62/13/77/400621377.db2.gz GMQYHWRHOAXGNT-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592186812 400621384 /nfs/dbraw/zinc/62/13/84/400621384.db2.gz GMQYHWRHOAXGNT-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCOc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC000597233102 400594452 /nfs/dbraw/zinc/59/44/52/400594452.db2.gz XAKVNSYZKQJFJE-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO Cc1ccc(C[N@H+]2CCOc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC000597233102 400594455 /nfs/dbraw/zinc/59/44/55/400594455.db2.gz XAKVNSYZKQJFJE-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000597258221 400601704 /nfs/dbraw/zinc/60/17/04/400601704.db2.gz ZCJZMKQZMIWXHM-ABAIWWIYSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000597258221 400601708 /nfs/dbraw/zinc/60/17/08/400601708.db2.gz ZCJZMKQZMIWXHM-ABAIWWIYSA-N 1 2 314.332 3.148 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCNc1ncc([N+](=O)[O-])cc1C ZINC000076664703 400666460 /nfs/dbraw/zinc/66/64/60/400666460.db2.gz UNSKPXGWGICTOK-UHFFFAOYSA-N 1 2 311.345 3.068 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccn1)C(C)C ZINC000603858457 400725776 /nfs/dbraw/zinc/72/57/76/400725776.db2.gz DXTGLIBNHCQIJE-UHFFFAOYSA-N 1 2 315.373 3.409 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccn1)C(C)C ZINC000603858457 400725778 /nfs/dbraw/zinc/72/57/78/400725778.db2.gz DXTGLIBNHCQIJE-UHFFFAOYSA-N 1 2 315.373 3.409 20 5 DGBDLO CCC(CC)[C@@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043437 400936365 /nfs/dbraw/zinc/93/63/65/400936365.db2.gz LMJUKYCNGQSKGN-HNNXBMFYSA-N 1 2 303.362 3.352 20 5 DGBDLO CCO[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000599084510 400955663 /nfs/dbraw/zinc/95/56/63/400955663.db2.gz SUWMFCVNNFFNHA-LRDDRELGSA-N 1 2 315.373 3.394 20 5 DGBDLO CC(C)[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCO1 ZINC000599085816 400955686 /nfs/dbraw/zinc/95/56/86/400955686.db2.gz FOLZFCMFVGBRLF-MRXNPFEDSA-N 1 2 315.373 3.394 20 5 DGBDLO CC(C)(CO)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599048339 400937812 /nfs/dbraw/zinc/93/78/12/400937812.db2.gz KZPIDDXLLZIOIV-UHFFFAOYSA-N 1 2 303.362 3.354 20 5 DGBDLO O=[N+]([O-])c1c(NC[C@@H]2CCC[C@@H](O)C2)ccc2c[nH+]ccc21 ZINC000599049448 400938112 /nfs/dbraw/zinc/93/81/12/400938112.db2.gz XOWRCTYFPOECLM-DGCLKSJQSA-N 1 2 301.346 3.106 20 5 DGBDLO CC(C)OC(=O)[C@@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599053528 400940409 /nfs/dbraw/zinc/94/04/09/400940409.db2.gz URYHEGMMGCDBHF-NSHDSACASA-N 1 2 317.345 3.143 20 5 DGBDLO C[C@]1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCC[C@@H]1O ZINC000599055097 400941356 /nfs/dbraw/zinc/94/13/56/400941356.db2.gz NAIHGPLLRGCXMI-DOTOQJQBSA-N 1 2 315.373 3.496 20 5 DGBDLO O=[N+]([O-])c1c2ccncc2ccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000599059696 400942960 /nfs/dbraw/zinc/94/29/60/400942960.db2.gz BXEKSYPZSVFYSD-UHFFFAOYSA-N 1 2 323.356 3.250 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000599058088 400943472 /nfs/dbraw/zinc/94/34/72/400943472.db2.gz ITKYUQCXLNACHK-ZIAGYGMSSA-N 1 2 313.357 3.006 20 5 DGBDLO C[N@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183746145 400901017 /nfs/dbraw/zinc/90/10/17/400901017.db2.gz HOGLKQAINYNEHZ-UHFFFAOYSA-N 1 2 323.299 3.223 20 5 DGBDLO C[N@@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183746145 400901022 /nfs/dbraw/zinc/90/10/22/400901022.db2.gz HOGLKQAINYNEHZ-UHFFFAOYSA-N 1 2 323.299 3.223 20 5 DGBDLO CO[C@@]1(C)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599078907 400952616 /nfs/dbraw/zinc/95/26/16/400952616.db2.gz KFLSOONHMSEBIC-INIZCTEOSA-N 1 2 301.346 3.148 20 5 DGBDLO Cc1cnn([C@@H]2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)c1 ZINC000599079344 400953860 /nfs/dbraw/zinc/95/38/60/400953860.db2.gz DXAVHRWKMNULPL-CQSZACIVSA-N 1 2 323.356 3.099 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000599034507 400933163 /nfs/dbraw/zinc/93/31/63/400933163.db2.gz SHYVUIMPOPJEFX-CYBMUJFWSA-N 1 2 323.356 3.250 20 5 DGBDLO COCC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599041779 400935887 /nfs/dbraw/zinc/93/58/87/400935887.db2.gz AFFPYAFXGACVPG-UHFFFAOYSA-N 1 2 301.346 3.006 20 5 DGBDLO CC1(C)C[C@@H](O)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599088697 400957235 /nfs/dbraw/zinc/95/72/35/400957235.db2.gz SOJOZKDGOVDETJ-ZDUSSCGKSA-N 1 2 315.373 3.130 20 5 DGBDLO COC1CC(CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599098595 400960379 /nfs/dbraw/zinc/96/03/79/400960379.db2.gz MXZBZGFXFWLLTD-UHFFFAOYSA-N 1 2 301.346 3.370 20 5 DGBDLO O=[N+]([O-])c1c(NCC2CCC(O)CC2)ccc2c[nH+]ccc21 ZINC000599110477 400962147 /nfs/dbraw/zinc/96/21/47/400962147.db2.gz TWHFFVPSRIPBCX-UHFFFAOYSA-N 1 2 301.346 3.106 20 5 DGBDLO C[C@@]1(C(F)F)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599112405 400963772 /nfs/dbraw/zinc/96/37/72/400963772.db2.gz ZQEVFOMURNAVIZ-HNNXBMFYSA-N 1 2 323.299 3.003 20 5 DGBDLO Cc1cc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)ncc1[N+](=O)[O-] ZINC000080597103 400966254 /nfs/dbraw/zinc/96/62/54/400966254.db2.gz BZZXGGPULYACQF-MRXNPFEDSA-N 1 2 323.356 3.233 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599616752 401091836 /nfs/dbraw/zinc/09/18/36/401091836.db2.gz CWPFFEKSSMQMSK-LBPRGKRZSA-N 1 2 324.384 3.382 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599616752 401091842 /nfs/dbraw/zinc/09/18/42/401091842.db2.gz CWPFFEKSSMQMSK-LBPRGKRZSA-N 1 2 324.384 3.382 20 5 DGBDLO Cc1[nH]c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]c1C ZINC000600110629 401182104 /nfs/dbraw/zinc/18/21/04/401182104.db2.gz BVMUOEBEKRNKLZ-UHFFFAOYSA-N 1 2 300.362 3.099 20 5 DGBDLO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000359014626 286215536 /nfs/dbraw/zinc/21/55/36/286215536.db2.gz LTVMQMSQEAWMLS-CYBMUJFWSA-N 1 2 323.356 3.026 20 5 DGBDLO Cc1cc(NCCn2cc[nH+]c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359848837 286385599 /nfs/dbraw/zinc/38/55/99/286385599.db2.gz YAFRRKLGSVJELM-UHFFFAOYSA-N 1 2 314.267 3.231 20 5 DGBDLO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOc3c(F)ccc(F)c32)c1 ZINC000361227024 286628207 /nfs/dbraw/zinc/62/82/07/286628207.db2.gz DEGBIDABTMIOKI-AWEZNQCLSA-N 1 2 320.295 3.486 20 5 DGBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000187784453 165102647 /nfs/dbraw/zinc/10/26/47/165102647.db2.gz WMRYHWPJBSTRND-CQSZACIVSA-N 1 2 320.780 3.223 20 5 DGBDLO COc1cccc2c1CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000182709376 432221459 /nfs/dbraw/zinc/22/14/59/432221459.db2.gz ITYDEVZNUROIGQ-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cccc2c1CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000182709376 432221464 /nfs/dbraw/zinc/22/14/64/432221464.db2.gz ITYDEVZNUROIGQ-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000133975602 196350968 /nfs/dbraw/zinc/35/09/68/196350968.db2.gz IXHFXUCACKJDKP-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000133975602 196350969 /nfs/dbraw/zinc/35/09/69/196350969.db2.gz IXHFXUCACKJDKP-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000302003137 230028621 /nfs/dbraw/zinc/02/86/21/230028621.db2.gz JQNDDKFAWIANCX-UHFFFAOYSA-N 1 2 321.377 3.118 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2cn3c([nH+]2)CCCC3)c2cccnc21 ZINC000413116554 230133895 /nfs/dbraw/zinc/13/38/95/230133895.db2.gz PMZIPGLKVFSGCS-UHFFFAOYSA-N 1 2 323.356 3.288 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCc3nnc(C4CC4)o3)c2c1 ZINC000413251840 230168869 /nfs/dbraw/zinc/16/88/69/230168869.db2.gz QZOJJALXJSPMRK-UHFFFAOYSA-N 1 2 311.301 3.016 20 5 DGBDLO Cc1ccc2[nH+]c(CSc3ncccc3[N+](=O)[O-])cn2c1 ZINC000194107036 263807756 /nfs/dbraw/zinc/80/77/56/263807756.db2.gz FLKWMZDEEIYNGX-UHFFFAOYSA-N 1 2 300.343 3.238 20 5 DGBDLO Cc1cnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c([N+](=O)[O-])c1 ZINC000354832282 265887385 /nfs/dbraw/zinc/88/73/85/265887385.db2.gz WPMXWSNPOHCYME-UHFFFAOYSA-N 1 2 309.329 3.300 20 5 DGBDLO Cc1ccc(Cc2noc(-c3cc([N+](=O)[O-])ccc3C)n2)c[nH+]1 ZINC000356135941 266294871 /nfs/dbraw/zinc/29/48/71/266294871.db2.gz MRFFOGWMXYJSRZ-UHFFFAOYSA-N 1 2 310.313 3.247 20 5 DGBDLO COc1ccc(CNc2c[nH+]c3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000359821332 270992864 /nfs/dbraw/zinc/99/28/64/270992864.db2.gz NVCSRIWAXOHCII-UHFFFAOYSA-N 1 2 313.357 3.489 20 5 DGBDLO CC(C)Cn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000183062439 432255093 /nfs/dbraw/zinc/25/50/93/432255093.db2.gz VWABHWZBXSHTND-UHFFFAOYSA-N 1 2 302.378 3.079 20 5 DGBDLO CC(C)Cn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000183062439 432255103 /nfs/dbraw/zinc/25/51/03/432255103.db2.gz VWABHWZBXSHTND-UHFFFAOYSA-N 1 2 302.378 3.079 20 5 DGBDLO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2[nH+]ccn21 ZINC000450835019 280013828 /nfs/dbraw/zinc/01/38/28/280013828.db2.gz WETQNMCUJFELMD-GWCFXTLKSA-N 1 2 309.329 3.457 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC23CCCC3)c(Cl)c1 ZINC000408175117 280364040 /nfs/dbraw/zinc/36/40/40/280364040.db2.gz PZXFBFXHIBEPRD-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC23CCCC3)c(Cl)c1 ZINC000408175117 280364042 /nfs/dbraw/zinc/36/40/42/280364042.db2.gz PZXFBFXHIBEPRD-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1[N+](=O)[O-] ZINC000121206016 431754384 /nfs/dbraw/zinc/75/43/84/431754384.db2.gz XVSWGYHSMJEJSH-CQSZACIVSA-N 1 2 300.362 3.006 20 5 DGBDLO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1[N+](=O)[O-] ZINC000121206016 431754391 /nfs/dbraw/zinc/75/43/91/431754391.db2.gz XVSWGYHSMJEJSH-CQSZACIVSA-N 1 2 300.362 3.006 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1scnc1C ZINC000175217952 432412324 /nfs/dbraw/zinc/41/23/24/432412324.db2.gz NKIIEARCMRGAQW-UHFFFAOYSA-N 1 2 321.402 3.390 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1scnc1C ZINC000175217952 432412325 /nfs/dbraw/zinc/41/23/25/432412325.db2.gz NKIIEARCMRGAQW-UHFFFAOYSA-N 1 2 321.402 3.390 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000273550626 432611274 /nfs/dbraw/zinc/61/12/74/432611274.db2.gz BVGKLZQHBBRLSE-ZJUUUORDSA-N 1 2 306.391 3.475 20 5 DGBDLO COC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000177569634 432637571 /nfs/dbraw/zinc/63/75/71/432637571.db2.gz MNVXDKDNIIMNPM-AWEZNQCLSA-N 1 2 304.346 3.282 20 5 DGBDLO O=[N+]([O-])c1cccnc1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177849964 432667694 /nfs/dbraw/zinc/66/76/94/432667694.db2.gz GVUYCCAJMWZNAP-UHFFFAOYSA-N 1 2 312.354 3.468 20 5 DGBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)[nH+]c2)c(Cl)c1 ZINC000265564278 432709341 /nfs/dbraw/zinc/70/93/41/432709341.db2.gz TUELLDLJECGLAZ-UHFFFAOYSA-N 1 2 319.752 3.382 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000266542973 432763476 /nfs/dbraw/zinc/76/34/76/432763476.db2.gz QPRUXIBBFVYMDW-FZMZJTMJSA-N 1 2 319.386 3.186 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000266542973 432763479 /nfs/dbraw/zinc/76/34/79/432763479.db2.gz QPRUXIBBFVYMDW-FZMZJTMJSA-N 1 2 319.386 3.186 20 5 DGBDLO CC[C@@H]([NH2+]Cc1csc(COC)n1)c1cccc([N+](=O)[O-])c1 ZINC000267278840 432828851 /nfs/dbraw/zinc/82/88/51/432828851.db2.gz OMVPREWENGICRX-CQSZACIVSA-N 1 2 321.402 3.439 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000276283853 432792230 /nfs/dbraw/zinc/79/22/30/432792230.db2.gz GITLZYPDJFCASK-UHFFFAOYSA-N 1 2 315.348 3.056 20 5 DGBDLO C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268279560 432861173 /nfs/dbraw/zinc/86/11/73/432861173.db2.gz QYHRWKUHLUQQRG-XHDPSFHLSA-N 1 2 304.325 3.018 20 5 DGBDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000296785574 432927080 /nfs/dbraw/zinc/92/70/80/432927080.db2.gz SJRFCPORDUZDRS-JTQLQIEISA-N 1 2 306.391 3.421 20 5 DGBDLO COc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC000349568416 432977043 /nfs/dbraw/zinc/97/70/43/432977043.db2.gz LMUUZNCVMNLBBG-UHFFFAOYSA-N 1 2 313.766 3.003 20 5 DGBDLO CC(C)CC[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000280247235 433022734 /nfs/dbraw/zinc/02/27/34/433022734.db2.gz ISGNHQKXMHLDMO-HNNXBMFYSA-N 1 2 303.362 3.255 20 5 DGBDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411909455 289389640 /nfs/dbraw/zinc/38/96/40/289389640.db2.gz SJTAPFHUFUVMQZ-GFCCVEGCSA-N 1 2 320.389 3.289 20 5 DGBDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411909455 289389641 /nfs/dbraw/zinc/38/96/41/289389641.db2.gz SJTAPFHUFUVMQZ-GFCCVEGCSA-N 1 2 320.389 3.289 20 5 DGBDLO Cc1ccn2cc(CNc3c(F)cccc3[N+](=O)[O-])[nH+]c2c1 ZINC000341599053 433156738 /nfs/dbraw/zinc/15/67/38/433156738.db2.gz SMTOEWWUJJMAAA-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337233075 433214058 /nfs/dbraw/zinc/21/40/58/433214058.db2.gz WBZHVBIVPPLHOP-CYBMUJFWSA-N 1 2 324.739 3.211 20 5 DGBDLO CC[C@H](C)[C@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413143539 433262779 /nfs/dbraw/zinc/26/27/79/433262779.db2.gz SEHGGOWRMQOJEY-MEDUHNTESA-N 1 2 303.362 3.352 20 5 DGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000339075854 433346111 /nfs/dbraw/zinc/34/61/11/433346111.db2.gz XGWDVPVAXZFLDZ-VIFPVBQESA-N 1 2 308.284 3.429 20 5 DGBDLO Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000421033103 433403702 /nfs/dbraw/zinc/40/37/02/433403702.db2.gz AABCTTHBGKYQOM-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO CC(C)c1nnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC000292276226 433530698 /nfs/dbraw/zinc/53/06/98/433530698.db2.gz XISMMAVEUGTPMJ-UHFFFAOYSA-N 1 2 317.393 3.247 20 5 DGBDLO CC(C)c1nnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC000292276226 433530711 /nfs/dbraw/zinc/53/07/11/433530711.db2.gz XISMMAVEUGTPMJ-UHFFFAOYSA-N 1 2 317.393 3.247 20 5 DGBDLO Cc1cnc(NCCNc2ccc3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000301422522 433546921 /nfs/dbraw/zinc/54/69/21/433546921.db2.gz FMEVVEKOTISHTO-UHFFFAOYSA-N 1 2 323.356 3.370 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301626171 433647046 /nfs/dbraw/zinc/64/70/46/433647046.db2.gz GSKYSOMLCIVPCZ-ZDUSSCGKSA-N 1 2 319.748 3.301 20 5 DGBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000342312490 433607373 /nfs/dbraw/zinc/60/73/73/433607373.db2.gz JKIBWDGWYKRGAV-INIZCTEOSA-N 1 2 322.311 3.350 20 5 DGBDLO CCn1ccc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000414484191 433651623 /nfs/dbraw/zinc/65/16/23/433651623.db2.gz PIBRLUIIWOJJLU-UHFFFAOYSA-N 1 2 302.378 3.224 20 5 DGBDLO C[N@@H+](Cc1c(F)cccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293331161 433703001 /nfs/dbraw/zinc/70/30/01/433703001.db2.gz GMIHTJJSDIIUAO-INIZCTEOSA-N 1 2 322.311 3.038 20 5 DGBDLO C[N@H+](Cc1c(F)cccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293331161 433703011 /nfs/dbraw/zinc/70/30/11/433703011.db2.gz GMIHTJJSDIIUAO-INIZCTEOSA-N 1 2 322.311 3.038 20 5 DGBDLO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044365 293151903 /nfs/dbraw/zinc/15/19/03/293151903.db2.gz BSZUGXHIKSLUCB-ZDUSSCGKSA-N 1 2 318.377 3.211 20 5 DGBDLO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044365 293151904 /nfs/dbraw/zinc/15/19/04/293151904.db2.gz BSZUGXHIKSLUCB-ZDUSSCGKSA-N 1 2 318.377 3.211 20 5 DGBDLO Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000372988089 293248457 /nfs/dbraw/zinc/24/84/57/293248457.db2.gz BBLNPRCITXXHOW-UHFFFAOYSA-N 1 2 300.362 3.072 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000283705382 433762619 /nfs/dbraw/zinc/76/26/19/433762619.db2.gz YTAIHDSNISYKTQ-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000283705382 433762627 /nfs/dbraw/zinc/76/26/27/433762627.db2.gz YTAIHDSNISYKTQ-QGZVFWFLSA-N 1 2 316.332 3.307 20 5 DGBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301865039 433767658 /nfs/dbraw/zinc/76/76/58/433767658.db2.gz BHZXLMWVIMDCET-UHFFFAOYSA-N 1 2 323.356 3.027 20 5 DGBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429142146 433769184 /nfs/dbraw/zinc/76/91/84/433769184.db2.gz NAUROBSCPWQDLT-NSHDSACASA-N 1 2 304.371 3.439 20 5 DGBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429142146 433769191 /nfs/dbraw/zinc/76/91/91/433769191.db2.gz NAUROBSCPWQDLT-NSHDSACASA-N 1 2 304.371 3.439 20 5 DGBDLO Nc1ccc(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000343228758 433786001 /nfs/dbraw/zinc/78/60/01/433786001.db2.gz LCPMNEFVWBFYKL-UHFFFAOYSA-N 1 2 313.144 3.491 20 5 DGBDLO C[C@H]1SCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352027818 433873528 /nfs/dbraw/zinc/87/35/28/433873528.db2.gz PGMJOFNAHLXQHA-DTWKUNHWSA-N 1 2 302.346 3.199 20 5 DGBDLO C[C@H]1SCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352027818 433873539 /nfs/dbraw/zinc/87/35/39/433873539.db2.gz PGMJOFNAHLXQHA-DTWKUNHWSA-N 1 2 302.346 3.199 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000362861385 433889849 /nfs/dbraw/zinc/88/98/49/433889849.db2.gz OBXIACYZXXJUKD-CYBMUJFWSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000362861385 433889856 /nfs/dbraw/zinc/88/98/56/433889856.db2.gz OBXIACYZXXJUKD-CYBMUJFWSA-N 1 2 320.780 3.319 20 5 DGBDLO Cc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000285453505 433952259 /nfs/dbraw/zinc/95/22/59/433952259.db2.gz JDFSGJSLQSXXAS-JTQLQIEISA-N 1 2 307.300 3.427 20 5 DGBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H](C)O1 ZINC000303458861 433940743 /nfs/dbraw/zinc/94/07/43/433940743.db2.gz KXWYADIXRMCZCT-CZUORRHYSA-N 1 2 322.405 3.381 20 5 DGBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H](C)O1 ZINC000303458861 433940751 /nfs/dbraw/zinc/94/07/51/433940751.db2.gz KXWYADIXRMCZCT-CZUORRHYSA-N 1 2 322.405 3.381 20 5 DGBDLO Cc1cc(N2CC[C@@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000499701909 294091785 /nfs/dbraw/zinc/09/17/85/294091785.db2.gz ODCWMVLXWGTNRW-MRXNPFEDSA-N 1 2 316.336 3.299 20 5 DGBDLO CCc1cc(N[C@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507105938 294282425 /nfs/dbraw/zinc/28/24/25/294282425.db2.gz WTKFXNMWZSJFGI-LLVKDONJSA-N 1 2 300.362 3.247 20 5 DGBDLO CCOc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000507162134 294285228 /nfs/dbraw/zinc/28/52/28/294285228.db2.gz UYWAWIIJSJEATI-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO CCOc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000507162134 294285231 /nfs/dbraw/zinc/28/52/31/294285231.db2.gz UYWAWIIJSJEATI-UHFFFAOYSA-N 1 2 301.346 3.021 20 5 DGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(F)ccc(O)c1F ZINC000353455115 434147975 /nfs/dbraw/zinc/14/79/75/434147975.db2.gz OWDVZJYKSOCHDH-UHFFFAOYSA-N 1 2 322.311 3.253 20 5 DGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(F)ccc(O)c1F ZINC000353455115 434147982 /nfs/dbraw/zinc/14/79/82/434147982.db2.gz OWDVZJYKSOCHDH-UHFFFAOYSA-N 1 2 322.311 3.253 20 5 DGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CO)c1ccccc1 ZINC000286088540 434159530 /nfs/dbraw/zinc/15/95/30/434159530.db2.gz UCGBFIBHIDFCLL-MRXNPFEDSA-N 1 2 322.311 3.038 20 5 DGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CO)c1ccccc1 ZINC000286088540 434159541 /nfs/dbraw/zinc/15/95/41/434159541.db2.gz UCGBFIBHIDFCLL-MRXNPFEDSA-N 1 2 322.311 3.038 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000353592576 434256596 /nfs/dbraw/zinc/25/65/96/434256596.db2.gz RUEMEVZPHUWWAG-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000353592576 434256603 /nfs/dbraw/zinc/25/66/03/434256603.db2.gz RUEMEVZPHUWWAG-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO CCc1nnc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000353565024 434235971 /nfs/dbraw/zinc/23/59/71/434235971.db2.gz WRPMBHYRLZPSSU-CYBMUJFWSA-N 1 2 318.402 3.176 20 5 DGBDLO Cc1cc(NC2CC(C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450577152 434277338 /nfs/dbraw/zinc/27/73/38/434277338.db2.gz FXZBHHDDFPIMNZ-UHFFFAOYSA-N 1 2 316.336 3.085 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2ncsc2C1 ZINC000438373476 434472122 /nfs/dbraw/zinc/47/21/22/434472122.db2.gz NTXAHSIUHDYHTK-HYXAFXHYSA-N 1 2 301.371 3.123 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCc2ncsc2C1 ZINC000438373476 434472130 /nfs/dbraw/zinc/47/21/30/434472130.db2.gz NTXAHSIUHDYHTK-HYXAFXHYSA-N 1 2 301.371 3.123 20 5 DGBDLO COc1ccncc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000287895903 434476992 /nfs/dbraw/zinc/47/69/92/434476992.db2.gz UMTVOKCWYSRYRL-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccncc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000287895903 434477003 /nfs/dbraw/zinc/47/70/03/434477003.db2.gz UMTVOKCWYSRYRL-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO C[N@@H+](Cc1ccon1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353884215 434501935 /nfs/dbraw/zinc/50/19/35/434501935.db2.gz SNCBDARYWBATTQ-UHFFFAOYSA-N 1 2 313.313 3.475 20 5 DGBDLO C[N@H+](Cc1ccon1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353884215 434501943 /nfs/dbraw/zinc/50/19/43/434501943.db2.gz SNCBDARYWBATTQ-UHFFFAOYSA-N 1 2 313.313 3.475 20 5 DGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000360992117 434756721 /nfs/dbraw/zinc/75/67/21/434756721.db2.gz ZNMLNXSVTHHCMN-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)ccc2n1C ZINC000524746167 434987639 /nfs/dbraw/zinc/98/76/39/434987639.db2.gz FRMKSWMJCHTGGM-UHFFFAOYSA-N 1 2 324.340 3.351 20 5 DGBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000492530931 435005582 /nfs/dbraw/zinc/00/55/82/435005582.db2.gz ISBXKKXHCADETI-AATRIKPKSA-N 1 2 320.736 3.117 20 5 DGBDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000579614182 435168599 /nfs/dbraw/zinc/16/85/99/435168599.db2.gz UQHPNDJBPRBHGC-MFKMUULPSA-N 1 2 315.377 3.174 20 5 DGBDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000579614181 435169187 /nfs/dbraw/zinc/16/91/87/435169187.db2.gz UQHPNDJBPRBHGC-GXFFZTMASA-N 1 2 315.377 3.174 20 5 DGBDLO CCOC(=O)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)CC ZINC000475145937 435180059 /nfs/dbraw/zinc/18/00/59/435180059.db2.gz ZHUHIYCZORPMQH-FSEJROPFSA-N 1 2 320.389 3.175 20 5 DGBDLO CSc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1[N+](=O)[O-] ZINC000535749239 435347479 /nfs/dbraw/zinc/34/74/79/435347479.db2.gz WXLMFPDSLZGPCG-UHFFFAOYSA-N 1 2 317.370 3.003 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C2CC2)O1 ZINC000548425136 435691096 /nfs/dbraw/zinc/69/10/96/435691096.db2.gz QLHPOYXHIMFJCT-MEBBXXQBSA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C2CC2)O1 ZINC000548425136 435691098 /nfs/dbraw/zinc/69/10/98/435691098.db2.gz QLHPOYXHIMFJCT-MEBBXXQBSA-N 1 2 310.781 3.248 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOCC3CCC3)c2c1 ZINC000574619156 315983928 /nfs/dbraw/zinc/98/39/28/315983928.db2.gz KNCYRWXYBJVPEE-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181561502 323259110 /nfs/dbraw/zinc/25/91/10/323259110.db2.gz QNBVIFBCLLOLCF-KRWDZBQOSA-N 1 2 312.369 3.038 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181561502 323259115 /nfs/dbraw/zinc/25/91/15/323259115.db2.gz QNBVIFBCLLOLCF-KRWDZBQOSA-N 1 2 312.369 3.038 20 5 DGBDLO CCc1nnc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000572170813 517869763 /nfs/dbraw/zinc/86/97/63/517869763.db2.gz JYYUXQVDBSEJRQ-SNVBAGLBSA-N 1 2 306.391 3.168 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(CCO)CCCC3)c2c1 ZINC000413176756 534885177 /nfs/dbraw/zinc/88/51/77/534885177.db2.gz VDAPCAGXPNVOPV-UHFFFAOYSA-N 1 2 315.373 3.498 20 5 DGBDLO CCC1(CO)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413206029 527769334 /nfs/dbraw/zinc/76/93/34/527769334.db2.gz BMMRLQBBZOQHCD-UHFFFAOYSA-N 1 2 315.373 3.132 20 5 DGBDLO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)C(=O)OCC ZINC000429725778 528141316 /nfs/dbraw/zinc/14/13/16/528141316.db2.gz PUEZQDCEABORRN-CYBMUJFWSA-N 1 2 308.378 3.067 20 5 DGBDLO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)C(=O)OCC ZINC000429725778 528141323 /nfs/dbraw/zinc/14/13/23/528141323.db2.gz PUEZQDCEABORRN-CYBMUJFWSA-N 1 2 308.378 3.067 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H]1C ZINC000172594012 528210774 /nfs/dbraw/zinc/21/07/74/528210774.db2.gz BOQXKVZSEHZGHJ-LBPRGKRZSA-N 1 2 310.419 3.319 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H]1C ZINC000172594012 528210779 /nfs/dbraw/zinc/21/07/79/528210779.db2.gz BOQXKVZSEHZGHJ-LBPRGKRZSA-N 1 2 310.419 3.319 20 5 DGBDLO NC(Cc1ccccc1)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834551 574680084 /nfs/dbraw/zinc/68/00/84/574680084.db2.gz VZPFTDZNSBMKJT-UHFFFAOYSA-N 1 2 319.748 3.489 20 5 DGBDLO Cc1cccn2cc(CNc3cc([N+](=O)[O-])ccc3F)[nH+]c12 ZINC000728202285 576169026 /nfs/dbraw/zinc/16/90/26/576169026.db2.gz ZMLJOHQTWCVECX-UHFFFAOYSA-N 1 2 300.293 3.302 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC2(COC2)C1 ZINC000852683749 620640755 /nfs/dbraw/zinc/64/07/55/620640755.db2.gz ROHXGDQICNTYCO-UHFFFAOYSA-N 1 2 317.172 3.124 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC2(COC2)C1 ZINC000852683749 620640757 /nfs/dbraw/zinc/64/07/57/620640757.db2.gz ROHXGDQICNTYCO-UHFFFAOYSA-N 1 2 317.172 3.124 20 5 DGBDLO COCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000893278396 618494377 /nfs/dbraw/zinc/49/43/77/618494377.db2.gz DZQYLHWCJKNSDA-LBPRGKRZSA-N 1 2 320.345 3.064 20 5 DGBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3nccn4c[nH+]cc34)C2)cc1 ZINC000894064779 618703007 /nfs/dbraw/zinc/70/30/07/618703007.db2.gz XIPRMJRUWWZONP-CQSZACIVSA-N 1 2 323.356 3.022 20 5 DGBDLO CCn1c[nH+]c2c1CCN(c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000896660409 618940845 /nfs/dbraw/zinc/94/08/45/618940845.db2.gz ZBQHZWMVYLODAT-UHFFFAOYSA-N 1 2 306.753 3.027 20 5 DGBDLO COc1cc([C@@H](C)[NH2+]Cc2nc(C)cs2)cc([N+](=O)[O-])c1 ZINC000903064882 619709644 /nfs/dbraw/zinc/70/96/44/619709644.db2.gz AQZUUHQMLRGIAK-SNVBAGLBSA-N 1 2 307.375 3.219 20 5 DGBDLO Cc1cc(C)c(C(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC000907696295 620168637 /nfs/dbraw/zinc/16/86/37/620168637.db2.gz VUBNMHVJUMVIGE-UHFFFAOYSA-N 1 2 313.357 3.153 20 5 DGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852550626 620628478 /nfs/dbraw/zinc/62/84/78/620628478.db2.gz DIYSOWBCIYSJEE-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852550626 620628479 /nfs/dbraw/zinc/62/84/79/620628479.db2.gz DIYSOWBCIYSJEE-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000852560180 620629726 /nfs/dbraw/zinc/62/97/26/620629726.db2.gz YTSPJUYWVWNJGY-QPUJVOFHSA-N 1 2 319.188 3.247 20 5 DGBDLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000852560180 620629732 /nfs/dbraw/zinc/62/97/32/620629732.db2.gz YTSPJUYWVWNJGY-QPUJVOFHSA-N 1 2 319.188 3.247 20 5 DGBDLO C[C@H]1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000922556905 621057362 /nfs/dbraw/zinc/05/73/62/621057362.db2.gz JYCIWMBWEGKEQQ-BLLLJJGKSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@H]1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000922556905 621057364 /nfs/dbraw/zinc/05/73/64/621057364.db2.gz JYCIWMBWEGKEQQ-BLLLJJGKSA-N 1 2 315.373 3.037 20 5 DGBDLO Cc1nn(C[N@@H+](C)Cc2cc(C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000762050805 622048720 /nfs/dbraw/zinc/04/87/20/622048720.db2.gz VMLUKXGYJCSGKJ-UHFFFAOYSA-N 1 2 302.378 3.114 20 5 DGBDLO Cc1nn(C[N@H+](C)Cc2cc(C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000762050805 622048723 /nfs/dbraw/zinc/04/87/23/622048723.db2.gz VMLUKXGYJCSGKJ-UHFFFAOYSA-N 1 2 302.378 3.114 20 5 DGBDLO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000769868802 622569903 /nfs/dbraw/zinc/56/99/03/622569903.db2.gz AKNYHVFNPSMDKF-SNVBAGLBSA-N 1 2 319.361 3.313 20 5 DGBDLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045223 622772878 /nfs/dbraw/zinc/77/28/78/622772878.db2.gz KEALAYOAMMFZEK-IINYFYTJSA-N 1 2 322.311 3.257 20 5 DGBDLO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063885 622784505 /nfs/dbraw/zinc/78/45/05/622784505.db2.gz UWYGKIBZLDTYPL-CABZTGNLSA-N 1 2 310.350 3.180 20 5 DGBDLO CCn1ccnc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872074473 622791229 /nfs/dbraw/zinc/79/12/29/622791229.db2.gz DZGKERQXRYESDM-LLVKDONJSA-N 1 2 320.418 3.384 20 5 DGBDLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872095994 622804561 /nfs/dbraw/zinc/80/45/61/622804561.db2.gz XJSQTQSHUIHCQU-ZYHUDNBSSA-N 1 2 304.325 3.116 20 5 DGBDLO CCOc1cccc(F)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000873014464 623017912 /nfs/dbraw/zinc/01/79/12/623017912.db2.gz RSNNBSDQXUHGGB-UHFFFAOYSA-N 1 2 304.321 3.422 20 5 DGBDLO CN(C)c1ccc(NCc2cc(Cl)ccc2[N+](=O)[O-])[nH+]c1 ZINC000776251457 623401906 /nfs/dbraw/zinc/40/19/06/623401906.db2.gz YPMYNLIUQFUVBG-UHFFFAOYSA-N 1 2 306.753 3.321 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(Cl)nn2)C2CC2)cc1 ZINC000876581117 623650298 /nfs/dbraw/zinc/65/02/98/623650298.db2.gz AAVUEYMHDGOKCW-UHFFFAOYSA-N 1 2 318.764 3.203 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(Cl)nn2)C2CC2)cc1 ZINC000876581117 623650304 /nfs/dbraw/zinc/65/03/04/623650304.db2.gz AAVUEYMHDGOKCW-UHFFFAOYSA-N 1 2 318.764 3.203 20 5 DGBDLO Cc1nn(C[NH+]2CCC(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000779866002 623824197 /nfs/dbraw/zinc/82/41/97/623824197.db2.gz WDXTUQWYQQMSAG-UHFFFAOYSA-N 1 2 318.352 3.076 20 5 DGBDLO Cc1nn(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000779890624 623827625 /nfs/dbraw/zinc/82/76/25/623827625.db2.gz XQEFZYAJOAFVFO-SCOAYWHSSA-N 1 2 312.373 3.235 20 5 DGBDLO Cc1nn(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000779890624 623827635 /nfs/dbraw/zinc/82/76/35/623827635.db2.gz XQEFZYAJOAFVFO-SCOAYWHSSA-N 1 2 312.373 3.235 20 5 DGBDLO Cc1nocc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000877564036 623943647 /nfs/dbraw/zinc/94/36/47/623943647.db2.gz WHXBYNCIDHAUAK-UHFFFAOYSA-N 1 2 316.144 3.488 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000878878485 624378417 /nfs/dbraw/zinc/37/84/17/624378417.db2.gz PUFSVLAUQGLWBS-CQSZACIVSA-N 1 2 306.753 3.308 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000878878485 624378419 /nfs/dbraw/zinc/37/84/19/624378419.db2.gz PUFSVLAUQGLWBS-CQSZACIVSA-N 1 2 306.753 3.308 20 5 DGBDLO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000880460548 624960859 /nfs/dbraw/zinc/96/08/59/624960859.db2.gz XHRMJIAYKMKUCO-AWEZNQCLSA-N 1 2 306.387 3.212 20 5 DGBDLO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000880460548 624960862 /nfs/dbraw/zinc/96/08/62/624960862.db2.gz XHRMJIAYKMKUCO-AWEZNQCLSA-N 1 2 306.387 3.212 20 5 DGBDLO Cc1nn(C[NH+]2CCC(F)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000788372365 625141267 /nfs/dbraw/zinc/14/12/67/625141267.db2.gz HNAMJTHJKVJJCC-UHFFFAOYSA-N 1 2 318.352 3.018 20 5 DGBDLO CC1=C(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000796590093 626064560 /nfs/dbraw/zinc/06/45/60/626064560.db2.gz RAZKGBPJUDRPFM-UHFFFAOYSA-N 1 2 323.780 3.229 20 5 DGBDLO CC1=C(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000796590093 626064561 /nfs/dbraw/zinc/06/45/61/626064561.db2.gz RAZKGBPJUDRPFM-UHFFFAOYSA-N 1 2 323.780 3.229 20 5 DGBDLO CCCN(C(=O)c1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000799412179 626298844 /nfs/dbraw/zinc/29/88/44/626298844.db2.gz SEEKMEPZBQMLPV-UHFFFAOYSA-N 1 2 324.340 3.299 20 5 DGBDLO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000883464035 626687205 /nfs/dbraw/zinc/68/72/05/626687205.db2.gz CWLXNPNCZMGANU-INIZCTEOSA-N 1 2 313.357 3.335 20 5 DGBDLO Cc1nn(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000840080486 626742345 /nfs/dbraw/zinc/74/23/45/626742345.db2.gz RRDJQNVQMPCHSC-CYBMUJFWSA-N 1 2 320.780 3.200 20 5 DGBDLO Cc1nn(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000840080486 626742347 /nfs/dbraw/zinc/74/23/47/626742347.db2.gz RRDJQNVQMPCHSC-CYBMUJFWSA-N 1 2 320.780 3.200 20 5 DGBDLO COC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000886209153 627121648 /nfs/dbraw/zinc/12/16/48/627121648.db2.gz FXVFDNKEPLHENV-CQSZACIVSA-N 1 2 321.764 3.121 20 5 DGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccn2cc[nH+]c2c1 ZINC000811816527 627325292 /nfs/dbraw/zinc/32/52/92/627325292.db2.gz CUISFYJLAGXPMG-UHFFFAOYSA-N 1 2 310.313 3.057 20 5 DGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000813291158 627474689 /nfs/dbraw/zinc/47/46/89/627474689.db2.gz BTSUIJKRIOJFCV-UHFFFAOYSA-N 1 2 310.313 3.057 20 5 DGBDLO CC[N@@H+](c1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1)C(C)C ZINC000008317739 627573951 /nfs/dbraw/zinc/57/39/51/627573951.db2.gz CNMABOCQNMFBRO-UHFFFAOYSA-N 1 2 303.366 3.307 20 5 DGBDLO CC[N@H+](c1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1)C(C)C ZINC000008317739 627573952 /nfs/dbraw/zinc/57/39/52/627573952.db2.gz CNMABOCQNMFBRO-UHFFFAOYSA-N 1 2 303.366 3.307 20 5 DGBDLO Cn1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1Cl ZINC000815142068 627636941 /nfs/dbraw/zinc/63/69/41/627636941.db2.gz MWPSAFSLUQIUQK-UHFFFAOYSA-N 1 2 308.769 3.007 20 5 DGBDLO Cc1cc(NC[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1[NH+](C)C ZINC000819408355 628149458 /nfs/dbraw/zinc/14/94/58/628149458.db2.gz POPPUXBUJDZDDF-KRWDZBQOSA-N 1 2 315.373 3.115 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000830838814 629310531 /nfs/dbraw/zinc/31/05/31/629310531.db2.gz MFPHQCANXZBAFV-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000830838814 629310533 /nfs/dbraw/zinc/31/05/33/629310533.db2.gz MFPHQCANXZBAFV-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO CCc1nc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)co1 ZINC000834897378 629800951 /nfs/dbraw/zinc/80/09/51/629800951.db2.gz GAFZESVWWQCJDP-HNNXBMFYSA-N 1 2 301.346 3.312 20 5 DGBDLO O=C(OCC1=CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835375429 629918092 /nfs/dbraw/zinc/91/80/92/629918092.db2.gz GBIQNMOELWRKMB-UHFFFAOYSA-N 1 2 313.313 3.048 20 5 DGBDLO CC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000846951266 631363736 /nfs/dbraw/zinc/36/37/36/631363736.db2.gz PQLQZVLIEXSETC-UHFFFAOYSA-N 1 2 320.389 3.183 20 5 DGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[N+](=O)[O-] ZINC000073616220 660394089 /nfs/dbraw/zinc/39/40/89/660394089.db2.gz XEUKNGATKACPBW-UHFFFAOYSA-N 1 2 301.302 3.135 20 5 DGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[N+](=O)[O-] ZINC000073616220 660394091 /nfs/dbraw/zinc/39/40/91/660394091.db2.gz XEUKNGATKACPBW-UHFFFAOYSA-N 1 2 301.302 3.135 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(F)CC2)ccc1Br ZINC000701922496 660695662 /nfs/dbraw/zinc/69/56/62/660695662.db2.gz DDGARELOWIMCOE-UHFFFAOYSA-N 1 2 317.158 3.291 20 5 DGBDLO Cc1nn(C[N@H+](CCC(F)(F)F)CC2CC2)c(C)c1[N+](=O)[O-] ZINC000084482133 655724181 /nfs/dbraw/zinc/72/41/81/655724181.db2.gz MAURDBUAOOAEPB-UHFFFAOYSA-N 1 2 320.315 3.030 20 5 DGBDLO Cc1nn(C[N@@H+](CCC(F)(F)F)CC2CC2)c(C)c1[N+](=O)[O-] ZINC000084482133 655724182 /nfs/dbraw/zinc/72/41/82/655724182.db2.gz MAURDBUAOOAEPB-UHFFFAOYSA-N 1 2 320.315 3.030 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000179576528 655909201 /nfs/dbraw/zinc/90/92/01/655909201.db2.gz JVMUYOCMGAEPAS-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000179576528 655909202 /nfs/dbraw/zinc/90/92/02/655909202.db2.gz JVMUYOCMGAEPAS-OAHLLOKOSA-N 1 2 301.321 3.466 20 5 DGBDLO CC(C)(C)[C@H]([NH2+]Cn1nccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000057087861 659002071 /nfs/dbraw/zinc/00/20/71/659002071.db2.gz YBOCSYYUTYQDPR-CQSZACIVSA-N 1 2 306.341 3.265 20 5 DGBDLO Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)nn1 ZINC000930061875 661362815 /nfs/dbraw/zinc/36/28/15/661362815.db2.gz UWVUJHYEOZGGCA-UHFFFAOYSA-N 1 2 312.373 3.166 20 5 DGBDLO Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)nn1 ZINC000930061875 661362817 /nfs/dbraw/zinc/36/28/17/661362817.db2.gz UWVUJHYEOZGGCA-UHFFFAOYSA-N 1 2 312.373 3.166 20 5 DGBDLO CC(C)([NH2+]Cc1c(F)cncc1F)c1ccccc1[N+](=O)[O-] ZINC000930555632 661410344 /nfs/dbraw/zinc/41/03/44/661410344.db2.gz WFMOLSAQKPYUJW-UHFFFAOYSA-N 1 2 307.300 3.293 20 5 DGBDLO CC(C)c1nsc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000930593108 661413985 /nfs/dbraw/zinc/41/39/85/661413985.db2.gz CQCWYXSEAMFQMD-JTQLQIEISA-N 1 2 306.391 3.421 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933918091 661666415 /nfs/dbraw/zinc/66/64/15/661666415.db2.gz PWCNNFAKIUREQJ-OAHLLOKOSA-N 1 2 308.403 3.018 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933918091 661666416 /nfs/dbraw/zinc/66/64/16/661666416.db2.gz PWCNNFAKIUREQJ-OAHLLOKOSA-N 1 2 308.403 3.018 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC001332673108 1178469045 /nfs/dbraw/zinc/46/90/45/1178469045.db2.gz FMLZUNWYUTYIHO-UHFFFAOYSA-N 1 2 310.353 3.183 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c1CCOC3)C2 ZINC001332673108 1178469050 /nfs/dbraw/zinc/46/90/50/1178469050.db2.gz FMLZUNWYUTYIHO-UHFFFAOYSA-N 1 2 310.353 3.183 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC001333467795 1178610561 /nfs/dbraw/zinc/61/05/61/1178610561.db2.gz SFNFXEWNLKBZRT-MRXNPFEDSA-N 1 2 302.374 3.260 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC001333467795 1178610564 /nfs/dbraw/zinc/61/05/64/1178610564.db2.gz SFNFXEWNLKBZRT-MRXNPFEDSA-N 1 2 302.374 3.260 20 5 DGBDLO Nc1ccc(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])c[nH+]1 ZINC001458326436 1182514570 /nfs/dbraw/zinc/51/45/70/1182514570.db2.gz RKVKVZFRBANSPS-UHFFFAOYSA-N 1 2 313.144 3.491 20 5 DGBDLO CC(C)c1ccc2c(c1)CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC001460976574 1182748951 /nfs/dbraw/zinc/74/89/51/1182748951.db2.gz GHHLOIMLOLDFCG-UHFFFAOYSA-N 1 2 314.389 3.010 20 5 DGBDLO CC(C)c1ccc2c(c1)CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC001460976574 1182748957 /nfs/dbraw/zinc/74/89/57/1182748957.db2.gz GHHLOIMLOLDFCG-UHFFFAOYSA-N 1 2 314.389 3.010 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(F)c1F ZINC001474084371 1183864418 /nfs/dbraw/zinc/86/44/18/1183864418.db2.gz VLJNYRPUUSGOCQ-UHFFFAOYSA-N 1 2 308.284 3.171 20 5 DGBDLO Cn1c[nH+]c2cc(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc21 ZINC001612042295 1193445623 /nfs/dbraw/zinc/44/56/23/1193445623.db2.gz BAMZWKSYZOPJQD-UHFFFAOYSA-N 1 2 308.301 3.101 20 5 DGBDLO Cc1cc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC001527661887 1187441546 /nfs/dbraw/zinc/44/15/46/1187441546.db2.gz JGSXBPCDCKSKHS-UHFFFAOYSA-N 1 2 319.748 3.243 20 5 DGBDLO Cc1cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC001529401865 1187555879 /nfs/dbraw/zinc/55/58/79/1187555879.db2.gz PXAJRWVQRSXYCE-OAHLLOKOSA-N 1 2 316.361 3.326 20 5 DGBDLO Cc1cc([C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001620615424 1193783848 /nfs/dbraw/zinc/78/38/48/1193783848.db2.gz VANLMPMEMDZBMF-MRXNPFEDSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1cc([C@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001620615424 1193783851 /nfs/dbraw/zinc/78/38/51/1193783851.db2.gz VANLMPMEMDZBMF-MRXNPFEDSA-N 1 2 300.362 3.354 20 5 DGBDLO Cc1cc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc(C)[nH+]1 ZINC001630266781 1194277485 /nfs/dbraw/zinc/27/74/85/1194277485.db2.gz CREUYFITIYOOJU-UHFFFAOYSA-N 1 2 324.340 3.018 20 5 DGBDLO O=[N+]([O-])c1ccccc1CNc1nc2ccccc2n2c[nH+]cc12 ZINC001639290606 1194758926 /nfs/dbraw/zinc/75/89/26/1194758926.db2.gz SINJUIRCHITTIF-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO CN(C)c1ccc(Nc2nccc3c2cccc3[N+](=O)[O-])c[nH+]1 ZINC001642025791 1194884640 /nfs/dbraw/zinc/88/46/40/1194884640.db2.gz NZHBBQFANNKRLA-UHFFFAOYSA-N 1 2 309.329 3.348 20 5 DGBDLO C[C@@H]([NH2+]CC(=O)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC001644390991 1195105796 /nfs/dbraw/zinc/10/57/96/1195105796.db2.gz VAIXBAAKVGCGBB-LLVKDONJSA-N 1 2 302.305 3.267 20 5 DGBDLO COc1ccc(CNc2[nH+]cccc2OC(C)C)cc1[N+](=O)[O-] ZINC001657803129 1196180059 /nfs/dbraw/zinc/18/00/59/1196180059.db2.gz NVJNDIRYOOOKCU-UHFFFAOYSA-N 1 2 317.345 3.398 20 5 DGBDLO CCC1(CC)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC001658538699 1196270384 /nfs/dbraw/zinc/27/03/84/1196270384.db2.gz HXRVBYKSPSPMRP-HFBAOOFYSA-N 1 2 322.405 3.230 20 5 DGBDLO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC001169933579 1081679445 /nfs/dbraw/zinc/67/94/45/1081679445.db2.gz QMMHTGFZWIDYIO-CYBMUJFWSA-N 1 2 308.378 3.067 20 5 DGBDLO CCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC001169933579 1081679451 /nfs/dbraw/zinc/67/94/51/1081679451.db2.gz QMMHTGFZWIDYIO-CYBMUJFWSA-N 1 2 308.378 3.067 20 5 DGBDLO Cc1cccn2c([C@H](C)Nc3ncc(F)cc3[N+](=O)[O-])c[nH+]c12 ZINC001160682543 1088916724 /nfs/dbraw/zinc/91/67/24/1088916724.db2.gz FTMXXIKYELSLFL-JTQLQIEISA-N 1 2 315.308 3.258 20 5 DGBDLO Cc1cccn2c([C@H](C)Nc3ncc([N+](=O)[O-])cc3C)c[nH+]c12 ZINC001160683246 1088919532 /nfs/dbraw/zinc/91/95/32/1088919532.db2.gz NATFQXQSDCMUSA-LBPRGKRZSA-N 1 2 311.345 3.427 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NCCCn1cc[nH+]c1 ZINC001161682305 1089343711 /nfs/dbraw/zinc/34/37/11/1089343711.db2.gz NNFZXIYFPTXESF-UHFFFAOYSA-N 1 2 323.356 3.356 20 5 DGBDLO Cc1c[nH+]c(CCNc2ncnc3cccc([N+](=O)[O-])c32)c(C)c1 ZINC001163618277 1090220841 /nfs/dbraw/zinc/22/08/41/1090220841.db2.gz PPXWPQSGRXGDEQ-UHFFFAOYSA-N 1 2 323.356 3.204 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@@H]2c2ccccc2Cl)C1 ZINC001169047626 1092506797 /nfs/dbraw/zinc/50/67/97/1092506797.db2.gz RUYIEEPNGVJTPU-DVOMOZLQSA-N 1 2 324.808 3.159 20 5 DGBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOC[C@@H]2c2ccccc2Cl)C1 ZINC001169047626 1092506807 /nfs/dbraw/zinc/50/68/07/1092506807.db2.gz RUYIEEPNGVJTPU-DVOMOZLQSA-N 1 2 324.808 3.159 20 5 DGBDLO Nc1ccc(Nc2cc(OC(F)(F)F)cc[nH+]2)cc1[N+](=O)[O-] ZINC001209934676 1092987233 /nfs/dbraw/zinc/98/72/33/1092987233.db2.gz REZBVTLTBPXFPT-UHFFFAOYSA-N 1 2 314.223 3.214 20 5 DGBDLO CCOc1cccc(N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC001337725919 1095072157 /nfs/dbraw/zinc/07/21/57/1095072157.db2.gz UDTZYTDBAYESNK-UHFFFAOYSA-N 1 2 316.361 3.101 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@H](F)C[C@H]2C)c1F ZINC001173178295 1097356003 /nfs/dbraw/zinc/35/60/03/1097356003.db2.gz AERZWZUFQUJCHI-GMTAPVOTSA-N 1 2 314.332 3.106 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@H](F)C[C@H]2C)c1F ZINC001173178295 1097356008 /nfs/dbraw/zinc/35/60/08/1097356008.db2.gz AERZWZUFQUJCHI-GMTAPVOTSA-N 1 2 314.332 3.106 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCSC(F)(F)F)CC2 ZINC001191521421 1100477469 /nfs/dbraw/zinc/47/74/69/1100477469.db2.gz QOKJKJSDRDZMNU-UHFFFAOYSA-N 1 2 306.309 3.206 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCSC(F)(F)F)CC2 ZINC001191521421 1100477471 /nfs/dbraw/zinc/47/74/71/1100477471.db2.gz QOKJKJSDRDZMNU-UHFFFAOYSA-N 1 2 306.309 3.206 20 5 DGBDLO COc1cc(-c2[nH]c3ccc(N(C)C)cc3[nH+]2)cc([N+](=O)[O-])c1 ZINC001250620164 1105548655 /nfs/dbraw/zinc/54/86/55/1105548655.db2.gz NBKGTBQGRAGZGW-UHFFFAOYSA-N 1 2 312.329 3.213 20 5 DGBDLO CN(C)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])c(F)c3)[nH+]c2c1 ZINC001250782170 1105582438 /nfs/dbraw/zinc/58/24/38/1105582438.db2.gz SEGPSCULBCAKRI-UHFFFAOYSA-N 1 2 300.293 3.343 20 5 DGBDLO CC(C)(C)c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001324149183 1108190977 /nfs/dbraw/zinc/19/09/77/1108190977.db2.gz XAXHFYTUJBTMAO-UHFFFAOYSA-N 1 2 313.317 3.128 20 5 DGBDLO Nc1[nH+]cccc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001307123163 1111268579 /nfs/dbraw/zinc/26/85/79/1111268579.db2.gz HWQCNENESLKLEE-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO Cc1nc2ccccn2c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000162013500 282091199 /nfs/dbraw/zinc/09/11/99/282091199.db2.gz PUFJSPYOBVKRPK-UHFFFAOYSA-N 1 2 322.368 3.109 20 5 DGBDLO Cc1nc2ccccn2c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000162013500 282091204 /nfs/dbraw/zinc/09/12/04/282091204.db2.gz PUFJSPYOBVKRPK-UHFFFAOYSA-N 1 2 322.368 3.109 20 5 DGBDLO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000088606182 185260071 /nfs/dbraw/zinc/26/00/71/185260071.db2.gz NGWGJAZGDHVWBI-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000088606182 185260072 /nfs/dbraw/zinc/26/00/72/185260072.db2.gz NGWGJAZGDHVWBI-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO CCCc1noc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181806666 199354357 /nfs/dbraw/zinc/35/43/57/199354357.db2.gz JKHYLNOMSKSQIZ-NSHDSACASA-N 1 2 304.350 3.090 20 5 DGBDLO Cc1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)s1 ZINC000331949481 234310502 /nfs/dbraw/zinc/31/05/02/234310502.db2.gz IJVIZOQFOBUNAQ-UHFFFAOYSA-N 1 2 303.387 3.226 20 5 DGBDLO Cc1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)s1 ZINC000331949481 234310504 /nfs/dbraw/zinc/31/05/04/234310504.db2.gz IJVIZOQFOBUNAQ-UHFFFAOYSA-N 1 2 303.387 3.226 20 5 DGBDLO CCOc1cc(C[NH2+]C(C)(C)c2nccs2)ccc1[N+](=O)[O-] ZINC000276972926 213211144 /nfs/dbraw/zinc/21/11/44/213211144.db2.gz XHWSSOLBSXQIQH-UHFFFAOYSA-N 1 2 321.402 3.475 20 5 DGBDLO Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000292352556 223015648 /nfs/dbraw/zinc/01/56/48/223015648.db2.gz CDOJLHGBCKQDNZ-MEDUHNTESA-N 1 2 318.352 3.326 20 5 DGBDLO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000179803689 199082675 /nfs/dbraw/zinc/08/26/75/199082675.db2.gz XOLNNCIEXCTFSH-CQSZACIVSA-N 1 2 316.361 3.342 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000430217598 238071297 /nfs/dbraw/zinc/07/12/97/238071297.db2.gz JVNZAIQWRHIXNH-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000430217598 238071298 /nfs/dbraw/zinc/07/12/98/238071298.db2.gz JVNZAIQWRHIXNH-LBPRGKRZSA-N 1 2 301.346 3.191 20 5 DGBDLO O=[N+]([O-])c1cccc2c(NCc3cn4ccccc4[nH+]3)ccnc21 ZINC000432348186 238125796 /nfs/dbraw/zinc/12/57/96/238125796.db2.gz RCDNJMBIHSTAAM-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO Cn1cc[nH+]c1[C@@H]1N(Cc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000449416727 240189365 /nfs/dbraw/zinc/18/93/65/240189365.db2.gz VMXNMGSCFNOTNR-AWEZNQCLSA-N 1 2 318.352 3.051 20 5 DGBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449563801 240291386 /nfs/dbraw/zinc/29/13/86/240291386.db2.gz YMRKQFCJWOKHOC-SNVBAGLBSA-N 1 2 308.769 3.315 20 5 DGBDLO C[C@H](c1csnn1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554061 241172678 /nfs/dbraw/zinc/17/26/78/241172678.db2.gz YXZSZBJWVXGQQG-DGCLKSJQSA-N 1 2 318.402 3.387 20 5 DGBDLO C[C@H](c1csnn1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554061 241172684 /nfs/dbraw/zinc/17/26/84/241172684.db2.gz YXZSZBJWVXGQQG-DGCLKSJQSA-N 1 2 318.402 3.387 20 5 DGBDLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119845999 284153655 /nfs/dbraw/zinc/15/36/55/284153655.db2.gz WEJLJKRPEWIGBU-SNVBAGLBSA-N 1 2 314.769 3.022 20 5 DGBDLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119845999 284153656 /nfs/dbraw/zinc/15/36/56/284153656.db2.gz WEJLJKRPEWIGBU-SNVBAGLBSA-N 1 2 314.769 3.022 20 5 DGBDLO CC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000282678737 217171143 /nfs/dbraw/zinc/17/11/43/217171143.db2.gz JPPLNDJFECTKSI-CQSZACIVSA-N 1 2 317.393 3.182 20 5 DGBDLO COCc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000266187917 205169843 /nfs/dbraw/zinc/16/98/43/205169843.db2.gz HSTMXTFTYGSATQ-JTQLQIEISA-N 1 2 307.375 3.049 20 5 DGBDLO Cc1[nH+]c2ccccc2n1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000266208078 205183507 /nfs/dbraw/zinc/18/35/07/205183507.db2.gz LRTLUTFDBNNIJU-UHFFFAOYSA-N 1 2 311.345 3.068 20 5 DGBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000493543755 246005606 /nfs/dbraw/zinc/00/56/06/246005606.db2.gz AYKYOHANKRMYDQ-WAYWQWQTSA-N 1 2 314.345 3.080 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000494795403 246194325 /nfs/dbraw/zinc/19/43/25/246194325.db2.gz PIHYNMCCNIGNKE-AWEZNQCLSA-N 1 2 324.739 3.211 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285575875 296240618 /nfs/dbraw/zinc/24/06/18/296240618.db2.gz SWKQUJUEIQWFIW-LBPRGKRZSA-N 1 2 314.341 3.256 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285575875 296240620 /nfs/dbraw/zinc/24/06/20/296240620.db2.gz SWKQUJUEIQWFIW-LBPRGKRZSA-N 1 2 314.341 3.256 20 5 DGBDLO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccn1 ZINC000181787054 432144662 /nfs/dbraw/zinc/14/46/62/432144662.db2.gz IVQUPSBFPJDDIC-LBPRGKRZSA-N 1 2 324.340 3.496 20 5 DGBDLO CCc1nnc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000273017520 210398489 /nfs/dbraw/zinc/39/84/89/210398489.db2.gz BPASXNCXRUSIHK-GFCCVEGCSA-N 1 2 306.391 3.250 20 5 DGBDLO COc1cc(NCCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000338636698 253323812 /nfs/dbraw/zinc/32/38/12/253323812.db2.gz OOVBHUGWFRAYBB-UHFFFAOYSA-N 1 2 312.329 3.134 20 5 DGBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000431401882 533085253 /nfs/dbraw/zinc/08/52/53/533085253.db2.gz ALRVGUJCTFZDNP-UHFFFAOYSA-N 1 2 310.313 3.159 20 5 DGBDLO CC[C@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000344435247 254270589 /nfs/dbraw/zinc/27/05/89/254270589.db2.gz FZIVCJXBOSQWQY-HNNXBMFYSA-N 1 2 321.402 3.480 20 5 DGBDLO CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000344445671 254271652 /nfs/dbraw/zinc/27/16/52/254271652.db2.gz PHUVKXCCWPLFNL-UHFFFAOYSA-N 1 2 304.321 3.464 20 5 DGBDLO COCCC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413203450 533213857 /nfs/dbraw/zinc/21/38/57/533213857.db2.gz WCQJDBAWPNMBHB-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DGBDLO CCC[C@H]([NH2+][C@@H](C)c1nnc(CC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000271559703 209012222 /nfs/dbraw/zinc/01/22/22/209012222.db2.gz UDGMLQDAIIRAHB-FZMZJTMJSA-N 1 2 317.393 3.467 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000470183273 533406733 /nfs/dbraw/zinc/40/67/33/533406733.db2.gz MPPOYGYACFKDFU-UKTHLTGXSA-N 1 2 320.389 3.272 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000470183273 533406736 /nfs/dbraw/zinc/40/67/36/533406736.db2.gz MPPOYGYACFKDFU-UKTHLTGXSA-N 1 2 320.389 3.272 20 5 DGBDLO Cc1ccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268268478 292137807 /nfs/dbraw/zinc/13/78/07/292137807.db2.gz OFJILUNTBVDXAT-BBRMVZONSA-N 1 2 300.362 3.187 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000595288244 400117723 /nfs/dbraw/zinc/11/77/23/400117723.db2.gz MDOSSUNRNAOOLD-UHFFFAOYSA-N 1 2 315.348 3.056 20 5 DGBDLO CCc1cnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000595024990 400080608 /nfs/dbraw/zinc/08/06/08/400080608.db2.gz IXRQGGFKYBUUCW-SNVBAGLBSA-N 1 2 321.402 3.473 20 5 DGBDLO C[NH2+]c1ccc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000600677534 400126411 /nfs/dbraw/zinc/12/64/11/400126411.db2.gz GDGZPQUXUUDLJF-UHFFFAOYSA-N 1 2 317.345 3.266 20 5 DGBDLO Cc1noc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595323157 400127321 /nfs/dbraw/zinc/12/73/21/400127321.db2.gz RRYGYXCRKFGBBW-CYBMUJFWSA-N 1 2 319.386 3.181 20 5 DGBDLO Cc1noc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595323157 400127327 /nfs/dbraw/zinc/12/73/27/400127327.db2.gz RRYGYXCRKFGBBW-CYBMUJFWSA-N 1 2 319.386 3.181 20 5 DGBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343349 400132552 /nfs/dbraw/zinc/13/25/52/400132552.db2.gz HBHIAEGURIHROY-OAHLLOKOSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343349 400132557 /nfs/dbraw/zinc/13/25/57/400132557.db2.gz HBHIAEGURIHROY-OAHLLOKOSA-N 1 2 318.352 3.113 20 5 DGBDLO Cc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc(C)n1 ZINC000595350944 400133474 /nfs/dbraw/zinc/13/34/74/400133474.db2.gz CIVONKYMSIGPIW-UHFFFAOYSA-N 1 2 312.373 3.166 20 5 DGBDLO Cc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc(C)n1 ZINC000595350944 400133483 /nfs/dbraw/zinc/13/34/83/400133483.db2.gz CIVONKYMSIGPIW-UHFFFAOYSA-N 1 2 312.373 3.166 20 5 DGBDLO Cc1noc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)c1[N+](=O)[O-] ZINC000595394370 400139625 /nfs/dbraw/zinc/13/96/25/400139625.db2.gz WBSYIWHZEOBQKE-UHFFFAOYSA-N 1 2 319.361 3.310 20 5 DGBDLO Cc1noc(C[N@H+](C)Cc2cccc(OC(C)C)c2)c1[N+](=O)[O-] ZINC000595394370 400139628 /nfs/dbraw/zinc/13/96/28/400139628.db2.gz WBSYIWHZEOBQKE-UHFFFAOYSA-N 1 2 319.361 3.310 20 5 DGBDLO Cc1noc(C[NH2+]C2(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000595417992 400142882 /nfs/dbraw/zinc/14/28/82/400142882.db2.gz MXKMCSFGDXWEIK-UHFFFAOYSA-N 1 2 307.737 3.324 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000595491416 400167836 /nfs/dbraw/zinc/16/78/36/400167836.db2.gz WGGZCHOQLQABKY-HUUCEWRRSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000595491416 400167839 /nfs/dbraw/zinc/16/78/39/400167839.db2.gz WGGZCHOQLQABKY-HUUCEWRRSA-N 1 2 308.353 3.123 20 5 DGBDLO COc1cc(C[NH2+][C@H](C)c2cscn2)c([N+](=O)[O-])cc1F ZINC000595669757 400222721 /nfs/dbraw/zinc/22/27/21/400222721.db2.gz ZQWKCSVIWZFXFV-MRVPVSSYSA-N 1 2 311.338 3.050 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000093335525 400239268 /nfs/dbraw/zinc/23/92/68/400239268.db2.gz HEVHFCPZGXHNCS-CYBMUJFWSA-N 1 2 316.332 3.429 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000093335525 400239272 /nfs/dbraw/zinc/23/92/72/400239272.db2.gz HEVHFCPZGXHNCS-CYBMUJFWSA-N 1 2 316.332 3.429 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnc(C3CC3)s1)CC2 ZINC000093338399 400241230 /nfs/dbraw/zinc/24/12/30/400241230.db2.gz UGQQPWOZTISGDW-UHFFFAOYSA-N 1 2 315.398 3.487 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnc(C3CC3)s1)CC2 ZINC000093338399 400241236 /nfs/dbraw/zinc/24/12/36/400241236.db2.gz UGQQPWOZTISGDW-UHFFFAOYSA-N 1 2 315.398 3.487 20 5 DGBDLO CN(C)c1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)c[nH+]1 ZINC000023618980 400212045 /nfs/dbraw/zinc/21/20/45/400212045.db2.gz VRWUWXIPWYEXAW-UHFFFAOYSA-N 1 2 309.329 3.348 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595856630 400282454 /nfs/dbraw/zinc/28/24/54/400282454.db2.gz LCASQWIZAOIGDP-GFCCVEGCSA-N 1 2 314.341 3.256 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595856630 400282456 /nfs/dbraw/zinc/28/24/56/400282456.db2.gz LCASQWIZAOIGDP-GFCCVEGCSA-N 1 2 314.341 3.256 20 5 DGBDLO Cc1cc(NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])s1 ZINC000596098001 400317934 /nfs/dbraw/zinc/31/79/34/400317934.db2.gz MMCBUQDTJONSKL-UHFFFAOYSA-N 1 2 303.387 3.392 20 5 DGBDLO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000029951011 400319149 /nfs/dbraw/zinc/31/91/49/400319149.db2.gz IHDXYIODRFNVJZ-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610944062 400326065 /nfs/dbraw/zinc/32/60/65/400326065.db2.gz ZLXAGUVLGCMKCT-GFCCVEGCSA-N 1 2 317.345 3.037 20 5 DGBDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610944062 400326067 /nfs/dbraw/zinc/32/60/67/400326067.db2.gz ZLXAGUVLGCMKCT-GFCCVEGCSA-N 1 2 317.345 3.037 20 5 DGBDLO O=[N+]([O-])c1cc(NCCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000589103661 400259867 /nfs/dbraw/zinc/25/98/67/400259867.db2.gz BJRKNGNTOAKXGA-UHFFFAOYSA-N 1 2 314.267 3.312 20 5 DGBDLO Cc1cccn2cc(CCNc3ccc(F)cc3[N+](=O)[O-])[nH+]c12 ZINC000610468900 400261331 /nfs/dbraw/zinc/26/13/31/400261331.db2.gz RZNAUBHTFKONMU-UHFFFAOYSA-N 1 2 314.320 3.345 20 5 DGBDLO COc1cc(NCc2[nH+]ccn2CC(C)C)c([N+](=O)[O-])cc1C ZINC000596145180 400329304 /nfs/dbraw/zinc/32/93/04/400329304.db2.gz ICYJZOPLILATGS-UHFFFAOYSA-N 1 2 318.377 3.376 20 5 DGBDLO Cc1cccn2cc(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)[nH+]c12 ZINC000041284099 400404049 /nfs/dbraw/zinc/40/40/49/400404049.db2.gz WWQVAEFIMJUOHO-UHFFFAOYSA-N 1 2 324.340 3.041 20 5 DGBDLO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590688521 400416710 /nfs/dbraw/zinc/41/67/10/400416710.db2.gz GGQPNGABAUPEOL-CYBMUJFWSA-N 1 2 323.356 3.181 20 5 DGBDLO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1[nH+]ccn1C ZINC000596538524 400439957 /nfs/dbraw/zinc/43/99/57/400439957.db2.gz CGWBAKHTPWCWRR-MRVPVSSYSA-N 1 2 312.276 3.103 20 5 DGBDLO C[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602447124 400465932 /nfs/dbraw/zinc/46/59/32/400465932.db2.gz BINDHDMUCSCWFY-ZETCQYMHSA-N 1 2 305.197 3.261 20 5 DGBDLO 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CC[N@@H+](c1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1)C(C)C ZINC000302168849 433816898 /nfs/dbraw/zinc/81/68/98/433816898.db2.gz SUTWGLVJHFIABM-UHFFFAOYSA-N 1 2 301.350 3.363 20 5 DGBDLO CC[N@H+](c1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1)C(C)C ZINC000302168849 433816909 /nfs/dbraw/zinc/81/69/09/433816909.db2.gz SUTWGLVJHFIABM-UHFFFAOYSA-N 1 2 301.350 3.363 20 5 DGBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000351966779 433822641 /nfs/dbraw/zinc/82/26/41/433822641.db2.gz DYKCHASGJHTLLX-HUUCEWRRSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000351966779 433822649 /nfs/dbraw/zinc/82/26/49/433822649.db2.gz DYKCHASGJHTLLX-HUUCEWRRSA-N 1 2 308.353 3.123 20 5 DGBDLO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000377383353 293651459 /nfs/dbraw/zinc/65/14/59/293651459.db2.gz PZHALDBMLOQLLL-RTHLEPHNSA-N 1 2 308.334 3.407 20 5 DGBDLO CC[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000352043458 433883676 /nfs/dbraw/zinc/88/36/76/433883676.db2.gz DMYVJOPQKBRLQR-JTQLQIEISA-N 1 2 302.346 3.200 20 5 DGBDLO CC[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000352043458 433883684 /nfs/dbraw/zinc/88/36/84/433883684.db2.gz DMYVJOPQKBRLQR-JTQLQIEISA-N 1 2 302.346 3.200 20 5 DGBDLO Cc1ccc(Cc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c[nH+]1 ZINC000357306004 433947495 /nfs/dbraw/zinc/94/74/95/433947495.db2.gz AYUHEGISXISHGM-UHFFFAOYSA-N 1 2 324.340 3.171 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000378232283 293765714 /nfs/dbraw/zinc/76/57/14/293765714.db2.gz LBKQYMHJHPXHEZ-ZDUSSCGKSA-N 1 2 300.362 3.398 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1CSc1[nH+]cc2ccccn21 ZINC000436477840 433976083 /nfs/dbraw/zinc/97/60/83/433976083.db2.gz ZXWHZUQOCBSEHW-UHFFFAOYSA-N 1 2 301.327 3.240 20 5 DGBDLO O=[N+]([O-])c1cccc(CNc2[nH]c3cccc(Cl)c3[nH+]2)c1 ZINC000508471631 294324230 /nfs/dbraw/zinc/32/42/30/294324230.db2.gz DRQAAAAYCOSGTA-UHFFFAOYSA-N 1 2 302.721 3.159 20 5 DGBDLO Cc1ccc[nH+]c1CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000295046283 434162724 /nfs/dbraw/zinc/16/27/24/434162724.db2.gz TZMJREYFJUKTCD-UHFFFAOYSA-N 1 2 312.373 3.311 20 5 DGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000363971693 434196758 /nfs/dbraw/zinc/19/67/58/434196758.db2.gz GSLPJETVHVUOGM-UHFFFAOYSA-N 1 2 322.324 3.248 20 5 DGBDLO CCOc1cccc(NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000316952162 434197222 /nfs/dbraw/zinc/19/72/22/434197222.db2.gz XFMLOSDZIGZKOV-UHFFFAOYSA-N 1 2 304.350 3.082 20 5 DGBDLO CC(=O)c1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000450485717 434219852 /nfs/dbraw/zinc/21/98/52/434219852.db2.gz OCSTWILQPQQHGX-UHFFFAOYSA-N 1 2 310.353 3.356 20 5 DGBDLO CC(=O)c1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000450485717 434219863 /nfs/dbraw/zinc/21/98/63/434219863.db2.gz OCSTWILQPQQHGX-UHFFFAOYSA-N 1 2 310.353 3.356 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccn1 ZINC000295208920 434255055 /nfs/dbraw/zinc/25/50/55/434255055.db2.gz UKCPYVZEQQURCO-UHFFFAOYSA-N 1 2 315.373 3.409 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccccn1 ZINC000295208920 434255063 /nfs/dbraw/zinc/25/50/63/434255063.db2.gz UKCPYVZEQQURCO-UHFFFAOYSA-N 1 2 315.373 3.409 20 5 DGBDLO Cc1cnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc1 ZINC000340673297 434283988 /nfs/dbraw/zinc/28/39/88/434283988.db2.gz DUYODVQBQXVGGU-UHFFFAOYSA-N 1 2 300.362 3.104 20 5 DGBDLO Cc1cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc1 ZINC000340673297 434284002 /nfs/dbraw/zinc/28/40/02/434284002.db2.gz DUYODVQBQXVGGU-UHFFFAOYSA-N 1 2 300.362 3.104 20 5 DGBDLO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c2nccn21 ZINC000295354054 434326645 /nfs/dbraw/zinc/32/66/45/434326645.db2.gz ZBKRZSKOGRPECY-ZANVPECISA-N 1 2 306.753 3.240 20 5 DGBDLO O=[N+]([O-])c1cccc2c(NCCCCn3cc[nH+]c3)ccnc21 ZINC000391170488 434381144 /nfs/dbraw/zinc/38/11/44/434381144.db2.gz QYUQXCKGKORHDN-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO CC(=O)c1ccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450834745 434432669 /nfs/dbraw/zinc/43/26/69/434432669.db2.gz VKULBUNGCGDXDM-ZANVPECISA-N 1 2 300.318 3.112 20 5 DGBDLO CCOc1cc(N[C@H](C)c2[nH+]ccn2CC)ccc1[N+](=O)[O-] ZINC000450835045 434434059 /nfs/dbraw/zinc/43/40/59/434434059.db2.gz WGPXSGGTTSAOEW-LLVKDONJSA-N 1 2 304.350 3.383 20 5 DGBDLO C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000287831388 434463506 /nfs/dbraw/zinc/46/35/06/434463506.db2.gz LIMLETZHFGGHRH-BXUZGUMPSA-N 1 2 304.325 3.018 20 5 DGBDLO Cc1cc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000524680744 294982708 /nfs/dbraw/zinc/98/27/08/294982708.db2.gz VNXDCNPVDNWVNE-UHFFFAOYSA-N 1 2 313.313 3.441 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000527054667 295074051 /nfs/dbraw/zinc/07/40/51/295074051.db2.gz CDURQKQXDVLRBH-LDCOFTPGSA-N 1 2 314.345 3.218 20 5 DGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000527054667 295074054 /nfs/dbraw/zinc/07/40/54/295074054.db2.gz CDURQKQXDVLRBH-LDCOFTPGSA-N 1 2 314.345 3.218 20 5 DGBDLO Cc1ccnc(NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000360322194 434577815 /nfs/dbraw/zinc/57/78/15/434577815.db2.gz DDRWQHRFTMXFHY-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO COC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000459578449 434617912 /nfs/dbraw/zinc/61/79/12/434617912.db2.gz IFXPXNCISJIALZ-UHFFFAOYSA-N 1 2 304.371 3.154 20 5 DGBDLO COc1cc(NCc2cn3cc(C)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000360966462 434746530 /nfs/dbraw/zinc/74/65/30/434746530.db2.gz PDFSRWZWXJGCPG-UHFFFAOYSA-N 1 2 312.329 3.172 20 5 DGBDLO CC1(C)CC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000553706047 434898793 /nfs/dbraw/zinc/89/87/93/434898793.db2.gz GRPCHTBFOBAFMD-MRXNPFEDSA-N 1 2 319.405 3.028 20 5 DGBDLO CCCc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000492270535 434947961 /nfs/dbraw/zinc/94/79/61/434947961.db2.gz DFUHVXYFERJXID-UHFFFAOYSA-N 1 2 307.325 3.273 20 5 DGBDLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000463250419 434948794 /nfs/dbraw/zinc/94/87/94/434948794.db2.gz NKSNXADNFUVGQO-UHFFFAOYSA-N 1 2 314.320 3.716 20 5 DGBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000492459044 434986015 /nfs/dbraw/zinc/98/60/15/434986015.db2.gz FFVSJYJOQPVQFD-OAHLLOKOSA-N 1 2 322.405 3.240 20 5 DGBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000492459044 434986019 /nfs/dbraw/zinc/98/60/19/434986019.db2.gz FFVSJYJOQPVQFD-OAHLLOKOSA-N 1 2 322.405 3.240 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000494186771 435193466 /nfs/dbraw/zinc/19/34/66/435193466.db2.gz VHIVYORZRSRASV-CABCVRRESA-N 1 2 310.781 3.392 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000494186771 435193468 /nfs/dbraw/zinc/19/34/68/435193468.db2.gz VHIVYORZRSRASV-CABCVRRESA-N 1 2 310.781 3.392 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000537627224 435458091 /nfs/dbraw/zinc/45/80/91/435458091.db2.gz NBRDEYVVAISVRH-MRXNPFEDSA-N 1 2 322.405 3.240 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H]1CC(C)C ZINC000537627224 435458094 /nfs/dbraw/zinc/45/80/94/435458094.db2.gz NBRDEYVVAISVRH-MRXNPFEDSA-N 1 2 322.405 3.240 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000548097676 435669470 /nfs/dbraw/zinc/66/94/70/435669470.db2.gz RDSCBMQGVJFMFB-MEBBXXQBSA-N 1 2 310.781 3.248 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000548097676 435669476 /nfs/dbraw/zinc/66/94/76/435669476.db2.gz RDSCBMQGVJFMFB-MEBBXXQBSA-N 1 2 310.781 3.248 20 5 DGBDLO CC(C)[N@H+](Cc1ccccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549767703 435779168 /nfs/dbraw/zinc/77/91/68/435779168.db2.gz GDGNTFKKEVCVON-UHFFFAOYSA-N 1 2 301.346 3.106 20 5 DGBDLO CC(C)[N@@H+](Cc1ccccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549767703 435779173 /nfs/dbraw/zinc/77/91/73/435779173.db2.gz GDGNTFKKEVCVON-UHFFFAOYSA-N 1 2 301.346 3.106 20 5 DGBDLO COc1cccc([N+](=O)[O-])c1NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000572423800 435824857 /nfs/dbraw/zinc/82/48/57/435824857.db2.gz MWRMBMAJPUVTOA-GFCCVEGCSA-N 1 2 316.361 3.098 20 5 DGBDLO Cc1cccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000275456255 301998669 /nfs/dbraw/zinc/99/86/69/301998669.db2.gz MEFZBLGJUGGGQZ-WFASDCNBSA-N 1 2 300.362 3.187 20 5 DGBDLO C[C@H]1C[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)S1 ZINC000560469045 314923899 /nfs/dbraw/zinc/92/38/99/314923899.db2.gz RMRHNUSGNAQTEW-IUCAKERBSA-N 1 2 302.346 3.199 20 5 DGBDLO Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000185256691 323384538 /nfs/dbraw/zinc/38/45/38/323384538.db2.gz GNDIUWJMZKBJIU-JTQLQIEISA-N 1 2 303.293 3.180 20 5 DGBDLO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000337182817 525492768 /nfs/dbraw/zinc/49/27/68/525492768.db2.gz NIQFTGXGFKVFOK-ZDUSSCGKSA-N 1 2 323.356 3.026 20 5 DGBDLO CCOC(=O)[C@H](CC)[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000469699312 535643016 /nfs/dbraw/zinc/64/30/16/535643016.db2.gz FAMKPJBMUJMFHS-HNNXBMFYSA-N 1 2 320.389 3.209 20 5 DGBDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000469699312 535643022 /nfs/dbraw/zinc/64/30/22/535643022.db2.gz FAMKPJBMUJMFHS-HNNXBMFYSA-N 1 2 320.389 3.209 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000301659518 538791149 /nfs/dbraw/zinc/79/11/49/538791149.db2.gz WUQRNNVTXAJWCI-LRDDRELGSA-N 1 2 300.362 3.187 20 5 DGBDLO CCCC[N@H+](C)c1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000730566935 574532037 /nfs/dbraw/zinc/53/20/37/574532037.db2.gz IGPAGADNOVFBPH-UHFFFAOYSA-N 1 2 303.366 3.308 20 5 DGBDLO CCCC[N@@H+](C)c1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000730566935 574532039 /nfs/dbraw/zinc/53/20/39/574532039.db2.gz IGPAGADNOVFBPH-UHFFFAOYSA-N 1 2 303.366 3.308 20 5 DGBDLO CNc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3s2)c[nH+]1 ZINC000731206547 574545283 /nfs/dbraw/zinc/54/52/83/574545283.db2.gz LMIUCITXKHHMOD-UHFFFAOYSA-N 1 2 301.331 3.385 20 5 DGBDLO Cc1cc(C)n(CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000731664714 574555809 /nfs/dbraw/zinc/55/58/09/574555809.db2.gz ZBSZTUIGIYNKEV-UHFFFAOYSA-N 1 2 322.796 3.194 20 5 DGBDLO Cc1cc(C)n(CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000731664714 574555812 /nfs/dbraw/zinc/55/58/12/574555812.db2.gz ZBSZTUIGIYNKEV-UHFFFAOYSA-N 1 2 322.796 3.194 20 5 DGBDLO O=[N+]([O-])c1ccc(F)c(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000742259052 574988521 /nfs/dbraw/zinc/98/85/21/574988521.db2.gz LDFGAPYBMUYWBP-UHFFFAOYSA-N 1 2 318.230 3.105 20 5 DGBDLO CCn1cc(C[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000746672261 575468675 /nfs/dbraw/zinc/46/86/75/575468675.db2.gz NNXQFYSCRYNQKY-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO CCn1cc(C[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000746672261 575468677 /nfs/dbraw/zinc/46/86/77/575468677.db2.gz NNXQFYSCRYNQKY-UHFFFAOYSA-N 1 2 308.769 3.097 20 5 DGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000748492943 575590648 /nfs/dbraw/zinc/59/06/48/575590648.db2.gz WPLMTZZQKKIDHO-UHFFFAOYSA-N 1 2 323.308 3.138 20 5 DGBDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000751218338 575775770 /nfs/dbraw/zinc/77/57/70/575775770.db2.gz BBRHLLBLRJWCBF-UHFFFAOYSA-N 1 2 301.346 3.252 20 5 DGBDLO Cc1c(CO[NH+]=C(N)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000725794147 575914715 /nfs/dbraw/zinc/91/47/15/575914715.db2.gz LWDUSFCIFADSFK-UHFFFAOYSA-N 1 2 303.293 3.089 20 5 DGBDLO CC(C)([NH2+]Cc1nccn1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000894590434 618391697 /nfs/dbraw/zinc/39/16/97/618391697.db2.gz AQMORDPSVSKUPU-UHFFFAOYSA-N 1 2 300.362 3.151 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895354941 618601733 /nfs/dbraw/zinc/60/17/33/618601733.db2.gz SWZASILFGNLSCU-UHFFFAOYSA-N 1 2 312.373 3.379 20 5 DGBDLO Cc1cc[nH+]c(N)c1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000893913804 618675361 /nfs/dbraw/zinc/67/53/61/618675361.db2.gz ZBOKQVYXIMDDDJ-UHFFFAOYSA-N 1 2 320.780 3.166 20 5 DGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCn3cccc3C2)c1 ZINC000896759765 618954848 /nfs/dbraw/zinc/95/48/48/618954848.db2.gz FFRHCZHDJFJNMC-UHFFFAOYSA-N 1 2 323.299 3.014 20 5 DGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCn3cccc3C2)c1 ZINC000896759765 618954853 /nfs/dbraw/zinc/95/48/53/618954853.db2.gz FFRHCZHDJFJNMC-UHFFFAOYSA-N 1 2 323.299 3.014 20 5 DGBDLO CCc1cnc(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)s1 ZINC000903104763 619717468 /nfs/dbraw/zinc/71/74/68/619717468.db2.gz XSNKXXCEIRZFLJ-JTQLQIEISA-N 1 2 321.402 3.473 20 5 DGBDLO CCc1nc(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cs1 ZINC000903092269 619718656 /nfs/dbraw/zinc/71/86/56/619718656.db2.gz JKKPNEOXCILWAI-JTQLQIEISA-N 1 2 321.402 3.473 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](c1ncccn1)C1CC1 ZINC000903322053 619755922 /nfs/dbraw/zinc/75/59/22/619755922.db2.gz GGBJZUDQIYHUKB-ZBFHGGJFSA-N 1 2 310.357 3.113 20 5 DGBDLO CCc1onc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000922983408 621141822 /nfs/dbraw/zinc/14/18/22/621141822.db2.gz NFOLCDZVCASFML-UHFFFAOYSA-N 1 2 309.753 3.397 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000870701411 622498920 /nfs/dbraw/zinc/49/89/20/622498920.db2.gz RZORBIVVCLSUBX-GFCCVEGCSA-N 1 2 317.345 3.103 20 5 DGBDLO C[C@@H]([NH2+]Cc1ccccc1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872028728 622760728 /nfs/dbraw/zinc/76/07/28/622760728.db2.gz SMUDEQSDRTVEQO-LLVKDONJSA-N 1 2 304.321 3.077 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000872075328 622791406 /nfs/dbraw/zinc/79/14/06/622791406.db2.gz PWWFCXYDMHZJAU-GWCFXTLKSA-N 1 2 318.402 3.309 20 5 DGBDLO C[NH+](C)[C@@H](C(=O)OCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000780092388 623861564 /nfs/dbraw/zinc/86/15/64/623861564.db2.gz VGAAWCPOHJAYMI-CQSZACIVSA-N 1 2 320.370 3.002 20 5 DGBDLO CC(C)n1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000783636028 624378165 /nfs/dbraw/zinc/37/81/65/624378165.db2.gz JDVQZWCWTPSWBW-UHFFFAOYSA-N 1 2 308.769 3.315 20 5 DGBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1(c2ncccn2)CCC1 ZINC000883311052 626642406 /nfs/dbraw/zinc/64/24/06/626642406.db2.gz MBCBGFGMNAQVSV-CQSZACIVSA-N 1 2 310.357 3.041 20 5 DGBDLO COc1cc(CNc2c[nH+]c(C)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000883341910 626654845 /nfs/dbraw/zinc/65/48/45/626654845.db2.gz DLNJUAFPHACSIL-UHFFFAOYSA-N 1 2 317.345 3.236 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000885926355 627061850 /nfs/dbraw/zinc/06/18/50/627061850.db2.gz BONAXNYSVQVEKD-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000885926355 627061851 /nfs/dbraw/zinc/06/18/51/627061851.db2.gz BONAXNYSVQVEKD-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000886012500 627083810 /nfs/dbraw/zinc/08/38/10/627083810.db2.gz JEXOAPFTCGGHQD-HNNXBMFYSA-N 1 2 315.398 3.280 20 5 DGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000886012500 627083812 /nfs/dbraw/zinc/08/38/12/627083812.db2.gz JEXOAPFTCGGHQD-HNNXBMFYSA-N 1 2 315.398 3.280 20 5 DGBDLO CC[C@@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1nc(C)cs1 ZINC000886073090 627098778 /nfs/dbraw/zinc/09/87/78/627098778.db2.gz QAAWTESCJLLRKS-CQSZACIVSA-N 1 2 306.391 3.170 20 5 DGBDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000815625894 627692443 /nfs/dbraw/zinc/69/24/43/627692443.db2.gz PIZNNZMYSUFTSE-DTWKUNHWSA-N 1 2 322.315 3.262 20 5 DGBDLO Cc1cc(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1[NH+](C)C ZINC000819407786 628149587 /nfs/dbraw/zinc/14/95/87/628149587.db2.gz BOJZHSDBRIWBIA-QGZVFWFLSA-N 1 2 315.373 3.115 20 5 DGBDLO CCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835338701 629910207 /nfs/dbraw/zinc/91/02/07/629910207.db2.gz BPVYOPPFJLWWEG-LLVKDONJSA-N 1 2 303.318 3.126 20 5 DGBDLO O=C(C[N@@H+]1CCC12CCCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844360812 630721252 /nfs/dbraw/zinc/72/12/52/630721252.db2.gz SFWYZCIZZHNHEZ-UHFFFAOYSA-N 1 2 323.780 3.205 20 5 DGBDLO O=C(C[N@H+]1CCC12CCCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844360812 630721253 /nfs/dbraw/zinc/72/12/53/630721253.db2.gz SFWYZCIZZHNHEZ-UHFFFAOYSA-N 1 2 323.780 3.205 20 5 DGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844395395 630724421 /nfs/dbraw/zinc/72/44/21/630724421.db2.gz DAHWRVXGQNGUIC-SNVBAGLBSA-N 1 2 323.736 3.310 20 5 DGBDLO C[C@H](CC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000844397234 630724565 /nfs/dbraw/zinc/72/45/65/630724565.db2.gz WSTFHQOEQLUFNB-SNVBAGLBSA-N 1 2 323.736 3.139 20 5 DGBDLO C[N@@H+](Cc1csc2ccccc12)Cn1cc([N+](=O)[O-])cn1 ZINC000123885747 660533132 /nfs/dbraw/zinc/53/31/32/660533132.db2.gz AZVUAZXAFGZGHP-UHFFFAOYSA-N 1 2 302.359 3.096 20 5 DGBDLO C[N@H+](Cc1csc2ccccc12)Cn1cc([N+](=O)[O-])cn1 ZINC000123885747 660533136 /nfs/dbraw/zinc/53/31/36/660533136.db2.gz AZVUAZXAFGZGHP-UHFFFAOYSA-N 1 2 302.359 3.096 20 5 DGBDLO Cc1ccc(C[N@H+](CCO)Cc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000793366773 661027610 /nfs/dbraw/zinc/02/76/10/661027610.db2.gz STVJQSMSMKNKMR-UHFFFAOYSA-N 1 2 324.764 3.144 20 5 DGBDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000793366773 661027612 /nfs/dbraw/zinc/02/76/12/661027612.db2.gz STVJQSMSMKNKMR-UHFFFAOYSA-N 1 2 324.764 3.144 20 5 DGBDLO Cc1ccc([C@@H]2CCCC[N@@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000172917752 659365658 /nfs/dbraw/zinc/36/56/58/659365658.db2.gz SMHVATZWLGFBPX-HNNXBMFYSA-N 1 2 300.362 3.284 20 5 DGBDLO Cc1ccc([C@@H]2CCCC[N@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000172917752 659365665 /nfs/dbraw/zinc/36/56/65/659365665.db2.gz SMHVATZWLGFBPX-HNNXBMFYSA-N 1 2 300.362 3.284 20 5 DGBDLO C[N@H+](CCOC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000195176155 662179386 /nfs/dbraw/zinc/17/93/86/662179386.db2.gz HTVUMTIUVBGSBH-UHFFFAOYSA-N 1 2 300.786 3.495 20 5 DGBDLO C[N@@H+](CCOC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000195176155 662179389 /nfs/dbraw/zinc/17/93/89/662179389.db2.gz HTVUMTIUVBGSBH-UHFFFAOYSA-N 1 2 300.786 3.495 20 5 DGBDLO CNc1cc(CNc2ncc([N+](=O)[O-])c3ccccc32)cc[nH+]1 ZINC001458626658 1182545162 /nfs/dbraw/zinc/54/51/62/1182545162.db2.gz AHJAREFEFOXPMW-UHFFFAOYSA-N 1 2 309.329 3.192 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c(Cl)c1 ZINC001460146964 1182657099 /nfs/dbraw/zinc/65/70/99/1182657099.db2.gz ZKEHDQBNMNJAHQ-HNNXBMFYSA-N 1 2 324.739 3.211 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2ccc(O)c(F)c2F)cc1[N+](=O)[O-] ZINC001462513506 1182962599 /nfs/dbraw/zinc/96/25/99/1182962599.db2.gz QESWCKLBWVBIJX-UHFFFAOYSA-N 1 2 308.284 3.177 20 5 DGBDLO Cc1cc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc(C)[nH+]1 ZINC001525865597 1187337844 /nfs/dbraw/zinc/33/78/44/1187337844.db2.gz RULOEVVQIUJDOP-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO O=[N+]([O-])c1cnc2cc(Br)ccc2c1-n1cc[nH+]c1 ZINC001559055079 1189166061 /nfs/dbraw/zinc/16/60/61/1189166061.db2.gz WXPYZUNHOIEDEV-UHFFFAOYSA-N 1 2 319.118 3.091 20 5 DGBDLO CC(C)[NH+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001559063269 1189167842 /nfs/dbraw/zinc/16/78/42/1189167842.db2.gz KNIBEWLTJFXADJ-UHFFFAOYSA-N 1 2 318.204 3.432 20 5 DGBDLO Nc1[nH+]cccc1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001559192547 1189179018 /nfs/dbraw/zinc/17/90/18/1189179018.db2.gz AMHLTCHSQFHCST-UHFFFAOYSA-N 1 2 312.251 3.203 20 5 DGBDLO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001620554862 1193778978 /nfs/dbraw/zinc/77/89/78/1193778978.db2.gz DIJSQOKCWQEBJB-SNVBAGLBSA-N 1 2 319.292 3.493 20 5 DGBDLO Cc1cc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc([N+](=O)[O-])c1 ZINC001623536732 1193937007 /nfs/dbraw/zinc/93/70/07/1193937007.db2.gz BYULFQGBGIJDPW-UHFFFAOYSA-N 1 2 324.340 3.041 20 5 DGBDLO CCOc1cc(NCc2c[nH]c(C(C)C)[nH+]2)ccc1[N+](=O)[O-] ZINC001640458513 1194814975 /nfs/dbraw/zinc/81/49/75/1194814975.db2.gz CXQMQKXLCMILRD-UHFFFAOYSA-N 1 2 304.350 3.452 20 5 DGBDLO CCOc1cc(NCc2c[nH+]c(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC001640458513 1194814978 /nfs/dbraw/zinc/81/49/78/1194814978.db2.gz CXQMQKXLCMILRD-UHFFFAOYSA-N 1 2 304.350 3.452 20 5 DGBDLO CCNc1ccc(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)c[nH+]1 ZINC001640543709 1194819054 /nfs/dbraw/zinc/81/90/54/1194819054.db2.gz SWVCOIIBPRLEBY-UHFFFAOYSA-N 1 2 313.361 3.439 20 5 DGBDLO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC001642341485 1194903181 /nfs/dbraw/zinc/90/31/81/1194903181.db2.gz MQZIYCLSPGCJPE-LBPRGKRZSA-N 1 2 306.387 3.212 20 5 DGBDLO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC001642341485 1194903185 /nfs/dbraw/zinc/90/31/85/1194903185.db2.gz MQZIYCLSPGCJPE-LBPRGKRZSA-N 1 2 306.387 3.212 20 5 DGBDLO Cc1cc([N+](=O)[O-])cnc1NCCn1c[nH+]cc1-c1ccccc1 ZINC001651293396 1195440167 /nfs/dbraw/zinc/44/01/67/1195440167.db2.gz GSNGIMIOHVLBAS-UHFFFAOYSA-N 1 2 323.356 3.274 20 5 DGBDLO CC1CC[NH+](c2ccc(Nc3nn(C)cc3[N+](=O)[O-])cc2)CC1 ZINC001651550291 1195479154 /nfs/dbraw/zinc/47/91/54/1195479154.db2.gz YLFPBAXCXHURRP-UHFFFAOYSA-N 1 2 315.377 3.308 20 5 DGBDLO CNc1cc(CNc2nccc3c2cccc3[N+](=O)[O-])cc[nH+]1 ZINC001652255491 1195571060 /nfs/dbraw/zinc/57/10/60/1195571060.db2.gz VDRAMASBRBAVEA-UHFFFAOYSA-N 1 2 309.329 3.192 20 5 DGBDLO CCC1(CC)[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001652753077 1195648095 /nfs/dbraw/zinc/64/80/95/1195648095.db2.gz HKFZLVGAGSZTPQ-CVEARBPZSA-N 1 2 322.405 3.326 20 5 DGBDLO CCC1(CC)[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001652753077 1195648097 /nfs/dbraw/zinc/64/80/97/1195648097.db2.gz HKFZLVGAGSZTPQ-CVEARBPZSA-N 1 2 322.405 3.326 20 5 DGBDLO COc1ccc(F)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC001652860585 1195662723 /nfs/dbraw/zinc/66/27/23/1195662723.db2.gz VKARIZMOCTWTLR-UHFFFAOYSA-N 1 2 308.284 3.171 20 5 DGBDLO CCc1cc(NCCNc2ccccc2[N+](=O)[O-])nc(CC)[nH+]1 ZINC001654913463 1195854834 /nfs/dbraw/zinc/85/48/34/1195854834.db2.gz NLHQEYFOJWTKHG-UHFFFAOYSA-N 1 2 315.377 3.034 20 5 DGBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001655170623 1195886259 /nfs/dbraw/zinc/88/62/59/1195886259.db2.gz ZQQMZPSDFNHVLT-KRWDZBQOSA-N 1 2 320.389 3.291 20 5 DGBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001655170623 1195886261 /nfs/dbraw/zinc/88/62/61/1195886261.db2.gz ZQQMZPSDFNHVLT-KRWDZBQOSA-N 1 2 320.389 3.291 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCn4ccnc43)o2)cc1 ZINC001656296256 1196027725 /nfs/dbraw/zinc/02/77/25/1196027725.db2.gz HPYMWUJBHFXVTK-HNNXBMFYSA-N 1 2 324.340 3.286 20 5 DGBDLO Cc1cccnc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001656489665 1196044824 /nfs/dbraw/zinc/04/48/24/1196044824.db2.gz SQLDVWNMDOVAJX-NSHDSACASA-N 1 2 311.345 3.025 20 5 DGBDLO CCCCOC1C[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344392 1082355510 /nfs/dbraw/zinc/35/55/10/1082355510.db2.gz BOZYOVUHMCXPQJ-CYBMUJFWSA-N 1 2 322.405 3.035 20 5 DGBDLO CCCCOC1C[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344393 1082355687 /nfs/dbraw/zinc/35/56/87/1082355687.db2.gz BOZYOVUHMCXPQJ-ZDUSSCGKSA-N 1 2 322.405 3.035 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]ccn3c2)c1C ZINC001280275517 1085965023 /nfs/dbraw/zinc/96/50/23/1085965023.db2.gz IPVAFFNDSGYSHL-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO CC[NH+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001161970975 1089501291 /nfs/dbraw/zinc/50/12/91/1089501291.db2.gz SLQKBLFBVGKADK-UHFFFAOYSA-N 1 2 304.177 3.044 20 5 DGBDLO O=[N+]([O-])c1ccc2ccc(NCc3ccc4[nH+]ccn4c3)nc2c1 ZINC001163137038 1090087476 /nfs/dbraw/zinc/08/74/76/1090087476.db2.gz WZAJRAVNJTWJTE-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO CCOC(=O)C[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC001204187469 1090917387 /nfs/dbraw/zinc/91/73/87/1090917387.db2.gz KMCYRTWJMPNCIC-UHFFFAOYSA-N 1 2 322.405 3.233 20 5 DGBDLO CCOC(=O)C[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC001204187469 1090917390 /nfs/dbraw/zinc/91/73/90/1090917390.db2.gz KMCYRTWJMPNCIC-UHFFFAOYSA-N 1 2 322.405 3.233 20 5 DGBDLO C[C@@H]([NH2+]Cc1ccc(O)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC001207527645 1092008248 /nfs/dbraw/zinc/00/82/48/1092008248.db2.gz RYNRTCKVUZHJGO-SECBINFHSA-N 1 2 308.284 3.429 20 5 DGBDLO O=[N+]([O-])c1c(F)cc(F)cc1NCCc1cn2ccccc2[nH+]1 ZINC001169003400 1092483626 /nfs/dbraw/zinc/48/36/26/1092483626.db2.gz DZOMGNKPAWANFI-UHFFFAOYSA-N 1 2 318.283 3.175 20 5 DGBDLO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1C[NH2+]CC1(F)F ZINC001218233325 1094667691 /nfs/dbraw/zinc/66/76/91/1094667691.db2.gz ZTXJDHWSKIBIEI-HNNXBMFYSA-N 1 2 320.295 3.248 20 5 DGBDLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cnn1C ZINC001119002110 1096121849 /nfs/dbraw/zinc/12/18/49/1096121849.db2.gz FERWLFWGEILYOJ-ZJUUUORDSA-N 1 2 306.341 3.188 20 5 DGBDLO C[NH+](C)CC[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001225620831 1096486301 /nfs/dbraw/zinc/48/63/01/1096486301.db2.gz WRMZSUFJEIXJKD-HNNXBMFYSA-N 1 2 316.357 3.372 20 5 DGBDLO CC(C)[NH+]1CC(Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226964437 1096829786 /nfs/dbraw/zinc/82/97/86/1096829786.db2.gz NQPBVUQQIROILB-UHFFFAOYSA-N 1 2 304.268 3.085 20 5 DGBDLO CCOC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC001173234111 1097378519 /nfs/dbraw/zinc/37/85/19/1097378519.db2.gz MUZQNKHHWLGXBH-XEZPLFJOSA-N 1 2 322.405 3.093 20 5 DGBDLO CC(C)[N@H+](Cc1cn(C)nc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC001328929830 1104101991 /nfs/dbraw/zinc/10/19/91/1104101991.db2.gz NKLWBVJNDIAZDH-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO CC(C)[N@@H+](Cc1cn(C)nc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC001328929830 1104101995 /nfs/dbraw/zinc/10/19/95/1104101995.db2.gz NKLWBVJNDIAZDH-UHFFFAOYSA-N 1 2 322.796 3.392 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2nc3cc(-n4cc[nH+]c4)c(F)cc3[nH]2)cc1 ZINC001250662146 1105556402 /nfs/dbraw/zinc/55/64/02/1105556402.db2.gz ZEGLWGIDCVCGQM-UHFFFAOYSA-N 1 2 323.287 3.463 20 5 DGBDLO CNc1ccc(Nc2cc(OC)c([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC001307073884 1111262496 /nfs/dbraw/zinc/26/24/96/1111262496.db2.gz YYUSOTGGUXJPAU-UHFFFAOYSA-N 1 2 308.725 3.437 20 5 DGBDLO O=[N+]([O-])c1ccc(Cn2c[nH+]c3cc(F)c(F)cc32)c(F)c1 ZINC000319194722 231180297 /nfs/dbraw/zinc/18/02/97/231180297.db2.gz MLBXPKASFAWLLT-UHFFFAOYSA-N 1 2 307.231 3.410 20 5 DGBDLO CC[C@@]1(CO)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413253666 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CC[N@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182112120 199388345 /nfs/dbraw/zinc/38/83/45/199388345.db2.gz OVSKQTQSWUMPDW-UHFFFAOYSA-N 1 2 308.769 3.004 20 5 DGBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182112120 199388347 /nfs/dbraw/zinc/38/83/47/199388347.db2.gz OVSKQTQSWUMPDW-UHFFFAOYSA-N 1 2 308.769 3.004 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000180275312 199140928 /nfs/dbraw/zinc/14/09/28/199140928.db2.gz WZYRARAWLQUWPO-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180275312 199140930 /nfs/dbraw/zinc/14/09/30/199140930.db2.gz WZYRARAWLQUWPO-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO CC(C)Cc1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180426900 199157349 /nfs/dbraw/zinc/15/73/49/199157349.db2.gz LXEBLGOAJIPBHX-NSHDSACASA-N 1 2 304.350 3.027 20 5 DGBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000281140841 216105626 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COc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000091891540 193123560 /nfs/dbraw/zinc/12/35/60/193123560.db2.gz NLQIWNYICPKSBC-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2[nH+]ccn21 ZINC000450835022 240887841 /nfs/dbraw/zinc/88/78/41/240887841.db2.gz WETQNMCUJFELMD-ZWNOBZJWSA-N 1 2 309.329 3.457 20 5 DGBDLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554060 241172393 /nfs/dbraw/zinc/17/23/93/241172393.db2.gz YXZSZBJWVXGQQG-AAEUAGOBSA-N 1 2 318.402 3.387 20 5 DGBDLO C[C@@H](c1csnn1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554060 241172399 /nfs/dbraw/zinc/17/23/99/241172399.db2.gz YXZSZBJWVXGQQG-AAEUAGOBSA-N 1 2 318.402 3.387 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000086624389 283937506 /nfs/dbraw/zinc/93/75/06/283937506.db2.gz QCPGJBUJAYJEPN-UHFFFAOYSA-N 1 2 310.313 3.112 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2noc3c2CCCC3)c(Cl)c1 ZINC000288519336 220196062 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CCc1ccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000338892900 253365389 /nfs/dbraw/zinc/36/53/89/253365389.db2.gz AHZPZQYGUAQAGF-UHFFFAOYSA-N 1 2 300.358 3.495 20 5 DGBDLO Cc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc(C2CC2)[nH+]1 ZINC000343223780 254117298 /nfs/dbraw/zinc/11/72/98/254117298.db2.gz JCJLRQZVAVLLML-UHFFFAOYSA-N 1 2 312.373 3.250 20 5 DGBDLO CCOC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000344880577 254313092 /nfs/dbraw/zinc/31/30/92/254313092.db2.gz BCOSVLCWMDFFQF-VURMDHGXSA-N 1 2 318.373 3.026 20 5 DGBDLO CCOC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000344880577 254313094 /nfs/dbraw/zinc/31/30/94/254313094.db2.gz BCOSVLCWMDFFQF-VURMDHGXSA-N 1 2 318.373 3.026 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ncc(C)s1 ZINC000430213057 533136766 /nfs/dbraw/zinc/13/67/66/533136766.db2.gz ADHVZTPHKTYTIH-SNVBAGLBSA-N 1 2 307.375 3.219 20 5 DGBDLO Cc1ccc([C@H](C)NC(=O)Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000120451841 195168924 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C[N@H+]1Cc2ccccc2[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000611498484 400411491 /nfs/dbraw/zinc/41/14/91/400411491.db2.gz IUJPENYNSWMKFA-QGZVFWFLSA-N 1 2 315.348 3.010 20 5 DGBDLO C[N@@H+]1Cc2ccccc2[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000611498484 400411492 /nfs/dbraw/zinc/41/14/92/400411492.db2.gz IUJPENYNSWMKFA-QGZVFWFLSA-N 1 2 315.348 3.010 20 5 DGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccsc1 ZINC000128408355 400514777 /nfs/dbraw/zinc/51/47/77/400514777.db2.gz OSTCJQSLBUXACP-NSHDSACASA-N 1 2 319.386 3.115 20 5 DGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccsc1 ZINC000128408355 400514778 /nfs/dbraw/zinc/51/47/78/400514778.db2.gz OSTCJQSLBUXACP-NSHDSACASA-N 1 2 319.386 3.115 20 5 DGBDLO COc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000075832773 400613827 /nfs/dbraw/zinc/61/38/27/400613827.db2.gz UBWXLTSBKZSXLZ-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO COc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000075832773 400613830 /nfs/dbraw/zinc/61/38/30/400613830.db2.gz UBWXLTSBKZSXLZ-UHFFFAOYSA-N 1 2 320.389 3.139 20 5 DGBDLO Cc1ncc([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000602957888 400614867 /nfs/dbraw/zinc/61/48/67/400614867.db2.gz VSDYTZPJSDJFBX-SSDOTTSWSA-N 1 2 313.329 3.489 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)c(F)c1 ZINC000592159878 400617074 /nfs/dbraw/zinc/61/70/74/400617074.db2.gz HJHDYYIODKWAMU-INIZCTEOSA-N 1 2 322.311 3.086 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccccc2F)c(F)c1 ZINC000592159892 400617220 /nfs/dbraw/zinc/61/72/20/400617220.db2.gz HJHDYYIODKWAMU-MRXNPFEDSA-N 1 2 322.311 3.086 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000597232341 400593561 /nfs/dbraw/zinc/59/35/61/400593561.db2.gz TVVPUCRWFZQWBB-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOc2ccc(O)cc2C1 ZINC000597232341 400593566 /nfs/dbraw/zinc/59/35/66/400593566.db2.gz TVVPUCRWFZQWBB-UHFFFAOYSA-N 1 2 314.341 3.003 20 5 DGBDLO Cc1cccn2cc(COc3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000076423867 400653631 /nfs/dbraw/zinc/65/36/31/400653631.db2.gz ZBCVCMBVPIEIAT-UHFFFAOYSA-N 1 2 301.277 3.269 20 5 DGBDLO CC(C)Oc1ncccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000048760547 400659706 /nfs/dbraw/zinc/65/97/06/400659706.db2.gz RJKCHYOHVPHQCQ-UHFFFAOYSA-N 1 2 307.375 3.128 20 5 DGBDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)c1ccccc1[N+](=O)[O-] ZINC000078957922 400837431 /nfs/dbraw/zinc/83/74/31/400837431.db2.gz LWDPLNDHGBZFOI-VIFPVBQESA-N 1 2 315.358 3.125 20 5 DGBDLO CC(C)C1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000619431187 400846918 /nfs/dbraw/zinc/84/69/18/400846918.db2.gz YEUPPQBBCFKLTN-UHFFFAOYSA-N 1 2 300.305 3.284 20 5 DGBDLO CC[C@H](C)[C@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043984 400936993 /nfs/dbraw/zinc/93/69/93/400936993.db2.gz QMAQOBCMHMVZTQ-MEDUHNTESA-N 1 2 303.362 3.352 20 5 DGBDLO CCO[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1C ZINC000599084512 400954916 /nfs/dbraw/zinc/95/49/16/400954916.db2.gz SUWMFCVNNFFNHA-WBMJQRKESA-N 1 2 315.373 3.394 20 5 DGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](OC(F)F)C1 ZINC000599066649 400946184 /nfs/dbraw/zinc/94/61/84/400946184.db2.gz UQEHLRZQJOMVSR-LLVKDONJSA-N 1 2 323.299 3.351 20 5 DGBDLO C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCS1 ZINC000599074865 400952638 /nfs/dbraw/zinc/95/26/38/400952638.db2.gz UYWDHIYXMKEYTE-NSHDSACASA-N 1 2 303.387 3.475 20 5 DGBDLO CC(C)(C)[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599078932 400952669 /nfs/dbraw/zinc/95/26/69/400952669.db2.gz KOHUPKCJDGDGIT-HNNXBMFYSA-N 1 2 315.373 3.394 20 5 DGBDLO CCC(O)(CC)CN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599192231 400992888 /nfs/dbraw/zinc/99/28/88/400992888.db2.gz OAPZJVWRTPKEQN-UHFFFAOYSA-N 1 2 303.362 3.130 20 5 DGBDLO COCC1(CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599095938 400958957 /nfs/dbraw/zinc/95/89/57/400958957.db2.gz YZHCCIOADHCDBB-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DGBDLO CC1(C)CC(=O)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599137150 400972213 /nfs/dbraw/zinc/97/22/13/400972213.db2.gz FIWUIHQFCDKWBV-UHFFFAOYSA-N 1 2 313.357 3.339 20 5 DGBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000080676036 400977869 /nfs/dbraw/zinc/97/78/69/400977869.db2.gz XCUGOQFOMHHONU-UHFFFAOYSA-N 1 2 314.320 3.345 20 5 DGBDLO COc1c(C)c[nH+]c(CN(C)c2ccccc2[N+](=O)[O-])c1C ZINC000058544923 401058743 /nfs/dbraw/zinc/05/87/43/401058743.db2.gz FSZMFLCEOKLKLN-UHFFFAOYSA-N 1 2 301.346 3.252 20 5 DGBDLO Cc1[nH]c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH+]c1C ZINC000600111740 401181763 /nfs/dbraw/zinc/18/17/63/401181763.db2.gz LIDGKSVUQYUDTI-UHFFFAOYSA-N 1 2 300.362 3.099 20 5 DGBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1Cl ZINC000358783925 286153351 /nfs/dbraw/zinc/15/33/51/286153351.db2.gz TVJPIAQJBCHWHY-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)c(F)cc1[N+](=O)[O-] ZINC000360064251 286418071 /nfs/dbraw/zinc/41/80/71/286418071.db2.gz BSDXGLBUQHTODL-UHFFFAOYSA-N 1 2 318.352 3.212 20 5 DGBDLO COc1c(C(=O)Nc2c(C)cc(C)[nH+]c2C)cccc1[N+](=O)[O-] ZINC000361523241 286684868 /nfs/dbraw/zinc/68/48/68/286684868.db2.gz DIPUFSHYNFHJNK-UHFFFAOYSA-N 1 2 315.329 3.176 20 5 DGBDLO O=[N+]([O-])c1ccc(SCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000188122583 165113779 /nfs/dbraw/zinc/11/37/79/165113779.db2.gz KPERKFHNSYZSIR-UHFFFAOYSA-N 1 2 312.354 3.468 20 5 DGBDLO O=[N+]([O-])c1cccc(OCCn2c[nH+]c3cc(F)c(F)cc32)c1 ZINC000192831239 165308033 /nfs/dbraw/zinc/30/80/33/165308033.db2.gz PHWBONUQUJVDQV-UHFFFAOYSA-N 1 2 319.267 3.302 20 5 DGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000129396521 196045032 /nfs/dbraw/zinc/04/50/32/196045032.db2.gz XIOGPFGHSOKODL-UHFFFAOYSA-N 1 2 315.329 3.176 20 5 DGBDLO COCC[N@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182054687 432157088 /nfs/dbraw/zinc/15/70/88/432157088.db2.gz PQCNTRFZKRBRPP-UHFFFAOYSA-N 1 2 324.764 3.490 20 5 DGBDLO COCC[N@@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182054687 432157091 /nfs/dbraw/zinc/15/70/91/432157091.db2.gz PQCNTRFZKRBRPP-UHFFFAOYSA-N 1 2 324.764 3.490 20 5 DGBDLO COC(=O)c1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172352628 432209685 /nfs/dbraw/zinc/20/96/85/432209685.db2.gz GXFZESZQBPPBBR-UHFFFAOYSA-N 1 2 314.341 3.013 20 5 DGBDLO COC(=O)c1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172352628 432209691 /nfs/dbraw/zinc/20/96/91/432209691.db2.gz GXFZESZQBPPBBR-UHFFFAOYSA-N 1 2 314.341 3.013 20 5 DGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1csc([N+](=O)[O-])c1 ZINC000172393598 432211153 /nfs/dbraw/zinc/21/11/53/432211153.db2.gz IWGNQIPDEDOYIR-UHFFFAOYSA-N 1 2 314.326 3.299 20 5 DGBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](Cc2cccs2)CC1 ZINC000301986119 230019534 /nfs/dbraw/zinc/01/95/34/230019534.db2.gz KATMYVMQAJGVAX-UHFFFAOYSA-N 1 2 309.416 3.040 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCC[C@@H](O)C3)c2c1 ZINC000413164269 230143817 /nfs/dbraw/zinc/14/38/17/230143817.db2.gz QPLHCBVMTMXYIK-SMDDNHRTSA-N 1 2 301.346 3.106 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(F)c1 ZINC000346987860 264134635 /nfs/dbraw/zinc/13/46/35/264134635.db2.gz FTDSFHCVHPVLRF-INIZCTEOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(F)c1 ZINC000346987860 264134637 /nfs/dbraw/zinc/13/46/37/264134637.db2.gz FTDSFHCVHPVLRF-INIZCTEOSA-N 1 2 301.321 3.466 20 5 DGBDLO COCC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000347938630 264310328 /nfs/dbraw/zinc/31/03/28/264310328.db2.gz WERINYMULQBFRO-CYBMUJFWSA-N 1 2 308.309 3.194 20 5 DGBDLO COCC1(C)CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351761484 264808003 /nfs/dbraw/zinc/80/80/03/264808003.db2.gz XUIVVKDTNDHVDI-UHFFFAOYSA-N 1 2 314.332 3.122 20 5 DGBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccncc1F ZINC000352372645 265022233 /nfs/dbraw/zinc/02/22/33/265022233.db2.gz UZAMQMWSOUOJFM-QMMMGPOBSA-N 1 2 311.263 3.258 20 5 DGBDLO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355654123 266144527 /nfs/dbraw/zinc/14/45/27/266144527.db2.gz FSXSTWAOYYFGPS-LLVKDONJSA-N 1 2 314.345 3.268 20 5 DGBDLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355654123 266144530 /nfs/dbraw/zinc/14/45/30/266144530.db2.gz FSXSTWAOYYFGPS-LLVKDONJSA-N 1 2 314.345 3.268 20 5 DGBDLO O=[N+]([O-])c1ccc(-c2ccc(CN3CCn4c[nH+]cc4C3)o2)cc1 ZINC000367941332 271101124 /nfs/dbraw/zinc/10/11/24/271101124.db2.gz HGRUDLRZDXUFGM-UHFFFAOYSA-N 1 2 324.340 3.067 20 5 DGBDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000106369969 276066293 /nfs/dbraw/zinc/06/62/93/276066293.db2.gz KKUPWFLGAAHJBT-UHFFFAOYSA-N 1 2 314.389 3.010 20 5 DGBDLO C[C@]1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCC[C@H]1O ZINC000413175117 280160760 /nfs/dbraw/zinc/16/07/60/280160760.db2.gz QWAHAWSPEGYVNX-NVXWUHKLSA-N 1 2 315.373 3.496 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1CO ZINC000289705827 280353130 /nfs/dbraw/zinc/35/31/30/280353130.db2.gz FYUGCAOWFUFNJQ-LLVKDONJSA-N 1 2 319.188 3.248 20 5 DGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1CO ZINC000289705827 280353131 /nfs/dbraw/zinc/35/31/31/280353131.db2.gz FYUGCAOWFUFNJQ-LLVKDONJSA-N 1 2 319.188 3.248 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000434621038 280364098 /nfs/dbraw/zinc/36/40/98/280364098.db2.gz OOBNBXKRUSTBNE-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000434621038 280364099 /nfs/dbraw/zinc/36/40/99/280364099.db2.gz OOBNBXKRUSTBNE-UHFFFAOYSA-N 1 2 302.305 3.129 20 5 DGBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000090578482 431893003 /nfs/dbraw/zinc/89/30/03/431893003.db2.gz WOTNOUDIRCTSGF-STQMWFEESA-N 1 2 322.405 3.236 20 5 DGBDLO Cc1cc(N)nc(SCc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000096630344 431955419 /nfs/dbraw/zinc/95/54/19/431955419.db2.gz OGVRGSXTKXEACU-UHFFFAOYSA-N 1 2 310.766 3.221 20 5 DGBDLO CCOc1cccc(NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000184060729 432350321 /nfs/dbraw/zinc/35/03/21/432350321.db2.gz QWUOCMDHUMKVFQ-UHFFFAOYSA-N 1 2 316.361 3.303 20 5 DGBDLO COc1cc(C[N@@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000184233409 432369551 /nfs/dbraw/zinc/36/95/51/432369551.db2.gz QFWKMCOVIKUPBN-UHFFFAOYSA-N 1 2 314.382 3.070 20 5 DGBDLO COc1cc(C[N@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000184233409 432369553 /nfs/dbraw/zinc/36/95/53/432369553.db2.gz QFWKMCOVIKUPBN-UHFFFAOYSA-N 1 2 314.382 3.070 20 5 DGBDLO COc1cccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c1[N+](=O)[O-] ZINC000193935654 432509979 /nfs/dbraw/zinc/50/99/79/432509979.db2.gz GZEMQYIIZHSKCZ-UHFFFAOYSA-N 1 2 315.329 3.176 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273976196 432632603 /nfs/dbraw/zinc/63/26/03/432632603.db2.gz YBVUIXPGWUHQNK-UHFFFAOYSA-N 1 2 317.320 3.354 20 5 DGBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000158664406 432653771 /nfs/dbraw/zinc/65/37/71/432653771.db2.gz DRCCHCHFORFIFB-AATRIKPKSA-N 1 2 320.736 3.117 20 5 DGBDLO Nc1c(F)c(NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000274711434 432701013 /nfs/dbraw/zinc/70/10/13/432701013.db2.gz YADJETXYUYXKAN-UHFFFAOYSA-N 1 2 319.340 3.015 20 5 DGBDLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000178687999 432766444 /nfs/dbraw/zinc/76/64/44/432766444.db2.gz DJIRZTPMFKNUNP-QWRGUYRKSA-N 1 2 304.350 3.260 20 5 DGBDLO Cc1nc(C2([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CCCC2)no1 ZINC000161374638 432777044 /nfs/dbraw/zinc/77/70/44/432777044.db2.gz UTXXPVDFWXTGTG-UHFFFAOYSA-N 1 2 316.361 3.154 20 5 DGBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000276545619 432817945 /nfs/dbraw/zinc/81/79/45/432817945.db2.gz FOCODSQHAKNYPZ-LBPRGKRZSA-N 1 2 322.752 3.098 20 5 DGBDLO C[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000276555140 432819207 /nfs/dbraw/zinc/81/92/07/432819207.db2.gz FVFXYNJIGMHRJU-LBPRGKRZSA-N 1 2 311.345 3.088 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245462565 432834359 /nfs/dbraw/zinc/83/43/59/432834359.db2.gz GNTQEAPLGWOKKM-WBVHZDCISA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245462565 432834361 /nfs/dbraw/zinc/83/43/61/432834361.db2.gz GNTQEAPLGWOKKM-WBVHZDCISA-N 1 2 320.389 3.137 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc3c(n2)CCCC3)cs1 ZINC000277717995 432871412 /nfs/dbraw/zinc/87/14/12/432871412.db2.gz NHNTUTLQLVKVSC-UHFFFAOYSA-N 1 2 303.387 3.220 20 5 DGBDLO CCc1nnc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278871500 432910295 /nfs/dbraw/zinc/91/02/95/432910295.db2.gz XBMXWTMQLXLGHS-YGRLFVJLSA-N 1 2 315.377 3.004 20 5 DGBDLO CCc1nnc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278871489 432910405 /nfs/dbraw/zinc/91/04/05/432910405.db2.gz XBMXWTMQLXLGHS-HZMBPMFUSA-N 1 2 315.377 3.004 20 5 DGBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263966 433068538 /nfs/dbraw/zinc/06/85/38/433068538.db2.gz YPGWIDIWDRXYFR-LLVKDONJSA-N 1 2 311.345 3.059 20 5 DGBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263966 433068544 /nfs/dbraw/zinc/06/85/44/433068544.db2.gz YPGWIDIWDRXYFR-LLVKDONJSA-N 1 2 311.345 3.059 20 5 DGBDLO CC(C)OC(=O)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000453326219 433090102 /nfs/dbraw/zinc/09/01/02/433090102.db2.gz YAYHSDKYWPDPPV-CJNGLKHVSA-N 1 2 322.405 3.092 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc[nH+]cc2C)c1 ZINC000280878133 433209696 /nfs/dbraw/zinc/20/96/96/433209696.db2.gz AXZDZZZWUBAXKH-UHFFFAOYSA-N 1 2 315.329 3.014 20 5 DGBDLO Cc1cc([N+](=O)[O-])ccc1CNc1[nH]c(C(F)(F)F)c[nH+]1 ZINC000290883410 433200678 /nfs/dbraw/zinc/20/06/78/433200678.db2.gz CDECJXNJLOSTNV-UHFFFAOYSA-N 1 2 300.240 3.257 20 5 DGBDLO Cc1cc(C)c(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000454192022 433314427 /nfs/dbraw/zinc/31/44/27/433314427.db2.gz AFVFGRGWLLVYFK-UHFFFAOYSA-N 1 2 314.345 3.237 20 5 DGBDLO O=[N+]([O-])c1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)ccc1Cl ZINC000374856193 433290542 /nfs/dbraw/zinc/29/05/42/433290542.db2.gz KKPBEIDTJDFGRL-LBPRGKRZSA-N 1 2 306.753 3.308 20 5 DGBDLO COc1c(C)c[nH+]c(CN(C)c2c(F)cccc2[N+](=O)[O-])c1C ZINC000341931456 433363502 /nfs/dbraw/zinc/36/35/02/433363502.db2.gz LHWKIAFUEBTWLW-UHFFFAOYSA-N 1 2 319.336 3.391 20 5 DGBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000339107919 433367096 /nfs/dbraw/zinc/36/70/96/433367096.db2.gz LAQHGJTVEAUXTG-UHFFFAOYSA-N 1 2 312.369 3.464 20 5 DGBDLO Cc1csc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000339074750 433339793 /nfs/dbraw/zinc/33/97/93/433339793.db2.gz HGMVOTMAAODUID-CQSZACIVSA-N 1 2 319.386 3.306 20 5 DGBDLO Cc1cc(NCc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301119204 433420124 /nfs/dbraw/zinc/42/01/24/433420124.db2.gz QZCTXQBNVDMFFT-UHFFFAOYSA-N 1 2 321.340 3.367 20 5 DGBDLO Cc1ccnc(NCCNc2ccc3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000301275737 433482466 /nfs/dbraw/zinc/48/24/66/433482466.db2.gz ITKYCTCOMYQHQJ-UHFFFAOYSA-N 1 2 323.356 3.370 20 5 DGBDLO Cc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)nn1C ZINC000282182127 433523764 /nfs/dbraw/zinc/52/37/64/433523764.db2.gz MVRBHADPWVJTRW-JTQLQIEISA-N 1 2 308.769 3.141 20 5 DGBDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292293716 433539453 /nfs/dbraw/zinc/53/94/53/433539453.db2.gz CQLGVMBMHWSZTN-KWQFWETISA-N 1 2 319.188 3.247 20 5 DGBDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292293716 433539462 /nfs/dbraw/zinc/53/94/62/433539462.db2.gz CQLGVMBMHWSZTN-KWQFWETISA-N 1 2 319.188 3.247 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2occc2C)c([N+](=O)[O-])cc1F ZINC000292162034 433487971 /nfs/dbraw/zinc/48/79/71/433487971.db2.gz KXAGTYLRTIFKEA-UHFFFAOYSA-N 1 2 308.309 3.276 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2occc2C)c([N+](=O)[O-])cc1F ZINC000292162034 433487980 /nfs/dbraw/zinc/48/79/80/433487980.db2.gz KXAGTYLRTIFKEA-UHFFFAOYSA-N 1 2 308.309 3.276 20 5 DGBDLO C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134052906 290591319 /nfs/dbraw/zinc/59/13/19/290591319.db2.gz QYHRWKUHLUQQRG-NHYWBVRUSA-N 1 2 304.325 3.018 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000356518306 433602935 /nfs/dbraw/zinc/60/29/35/433602935.db2.gz DDLXBNJSPGHUGQ-UHFFFAOYSA-N 1 2 304.371 3.359 20 5 DGBDLO Cc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000356518306 433602941 /nfs/dbraw/zinc/60/29/41/433602941.db2.gz DDLXBNJSPGHUGQ-UHFFFAOYSA-N 1 2 304.371 3.359 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)cnc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000301754045 433707460 /nfs/dbraw/zinc/70/74/60/433707460.db2.gz WMFBNUSQPAVBLM-UHFFFAOYSA-N 1 2 317.736 3.174 20 5 DGBDLO C[N@H+](CCc1nccs1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283887884 433792022 /nfs/dbraw/zinc/79/20/22/433792022.db2.gz FSZBZTCAMNUTER-UHFFFAOYSA-N 1 2 313.329 3.004 20 5 DGBDLO C[N@@H+](CCc1nccs1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283887884 433792033 /nfs/dbraw/zinc/79/20/33/433792033.db2.gz FSZBZTCAMNUTER-UHFFFAOYSA-N 1 2 313.329 3.004 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000351928486 433796858 /nfs/dbraw/zinc/79/68/58/433796858.db2.gz TZUUDPWFKBVDHQ-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000351928486 433796871 /nfs/dbraw/zinc/79/68/71/433796871.db2.gz TZUUDPWFKBVDHQ-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO CC(=O)c1cc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000339970465 433876645 /nfs/dbraw/zinc/87/66/45/433876645.db2.gz VRPSWSGUURRAPE-UHFFFAOYSA-N 1 2 324.340 3.100 20 5 DGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000344113339 433848993 /nfs/dbraw/zinc/84/89/93/433848993.db2.gz MAUKLENSQXCFDG-UHFFFAOYSA-N 1 2 317.364 3.432 20 5 DGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000344113339 433849000 /nfs/dbraw/zinc/84/90/00/433849000.db2.gz MAUKLENSQXCFDG-UHFFFAOYSA-N 1 2 317.364 3.432 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294069140 433985704 /nfs/dbraw/zinc/98/57/04/433985704.db2.gz QKLWPPZEKGEYKM-ORYMXUJHSA-N 1 2 314.385 3.251 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294069140 433985710 /nfs/dbraw/zinc/98/57/10/433985710.db2.gz QKLWPPZEKGEYKM-ORYMXUJHSA-N 1 2 314.385 3.251 20 5 DGBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H](C)O1 ZINC000303458859 433938611 /nfs/dbraw/zinc/93/86/11/433938611.db2.gz KXWYADIXRMCZCT-BBRMVZONSA-N 1 2 322.405 3.381 20 5 DGBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H](C)O1 ZINC000303458859 433938618 /nfs/dbraw/zinc/93/86/18/433938618.db2.gz KXWYADIXRMCZCT-BBRMVZONSA-N 1 2 322.405 3.381 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000357703192 434135449 /nfs/dbraw/zinc/13/54/49/434135449.db2.gz KCJXPSBMJSRHDP-UHFFFAOYSA-N 1 2 300.362 3.072 20 5 DGBDLO C[C@@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450830189 434428670 /nfs/dbraw/zinc/42/86/70/434428670.db2.gz NKHWSDRXLSNSKK-QMTHXVAHSA-N 1 2 309.329 3.457 20 5 DGBDLO CC(C)([NH2+]Cc1cc(F)ncc1F)c1ccccc1[N+](=O)[O-] ZINC000296122981 434517058 /nfs/dbraw/zinc/51/70/58/434517058.db2.gz TXNVQWNOWCBENO-UHFFFAOYSA-N 1 2 307.300 3.293 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)c(Cl)c1 ZINC000408214200 434551273 /nfs/dbraw/zinc/55/12/73/434551273.db2.gz HUQJOYPKLLVLEP-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCC3)C2)c(Cl)c1 ZINC000408214200 434551280 /nfs/dbraw/zinc/55/12/80/434551280.db2.gz HUQJOYPKLLVLEP-UHFFFAOYSA-N 1 2 310.781 3.251 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc2n1C ZINC000525724290 295028405 /nfs/dbraw/zinc/02/84/05/295028405.db2.gz FTQMZXYJMLXOEP-UHFFFAOYSA-N 1 2 316.342 3.104 20 5 DGBDLO COc1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000459632810 434640708 /nfs/dbraw/zinc/64/07/08/434640708.db2.gz FSAHBSLDRSPGNY-UHFFFAOYSA-N 1 2 318.295 3.378 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccon1 ZINC000349234949 434644538 /nfs/dbraw/zinc/64/45/38/434644538.db2.gz FHKHLYAOVZOREI-NSHDSACASA-N 1 2 305.334 3.221 20 5 DGBDLO CCn1c2ccccc2[nH+]c1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000460666989 434766608 /nfs/dbraw/zinc/76/66/08/434766608.db2.gz GKMIACWJLLJDNU-UHFFFAOYSA-N 1 2 310.357 3.885 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372159391 434806139 /nfs/dbraw/zinc/80/61/39/434806139.db2.gz ANGVXMYDEJZWTB-GOEBONIOSA-N 1 2 322.405 3.090 20 5 DGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372159391 434806143 /nfs/dbraw/zinc/80/61/43/434806143.db2.gz ANGVXMYDEJZWTB-GOEBONIOSA-N 1 2 322.405 3.090 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)S1 ZINC000560469044 435171094 /nfs/dbraw/zinc/17/10/94/435171094.db2.gz RMRHNUSGNAQTEW-DTORHVGOSA-N 1 2 302.346 3.199 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)S1 ZINC000560469044 435171096 /nfs/dbraw/zinc/17/10/96/435171096.db2.gz RMRHNUSGNAQTEW-DTORHVGOSA-N 1 2 302.346 3.199 20 5 DGBDLO COc1cc(C)[nH+]c(COc2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000478883362 435312127 /nfs/dbraw/zinc/31/21/27/435312127.db2.gz KXFAQLYMFQPCNB-UHFFFAOYSA-N 1 2 306.293 3.333 20 5 DGBDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000537647960 435459306 /nfs/dbraw/zinc/45/93/06/435459306.db2.gz SPEBXLMAFPUHFS-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000537647960 435459311 /nfs/dbraw/zinc/45/93/11/435459311.db2.gz SPEBXLMAFPUHFS-GOSISDBHSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1nc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c2c([nH+]1)CCCC2 ZINC000571953735 435760446 /nfs/dbraw/zinc/76/04/46/435760446.db2.gz VMUUDBZGYADYRH-NSHDSACASA-N 1 2 312.373 3.745 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3c(C)cccc3[N+](=O)[O-])ccc2n1C ZINC000564879559 315208190 /nfs/dbraw/zinc/20/81/90/315208190.db2.gz DTGOUADTHSULIP-UHFFFAOYSA-N 1 2 324.340 3.351 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564928332 315213009 /nfs/dbraw/zinc/21/30/09/315213009.db2.gz AQVAOGRJGCPCLE-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564928332 315213010 /nfs/dbraw/zinc/21/30/10/315213010.db2.gz AQVAOGRJGCPCLE-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181836364 323271819 /nfs/dbraw/zinc/27/18/19/323271819.db2.gz FNWCIWKQBOMCTQ-LLVKDONJSA-N 1 2 318.329 3.134 20 5 DGBDLO COC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000184515739 323366937 /nfs/dbraw/zinc/36/69/37/323366937.db2.gz APTJADUSMYUXIW-LBPRGKRZSA-N 1 2 310.737 3.319 20 5 DGBDLO Cc1ccn2cc(CNc3ncc(Cl)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000434952766 534366620 /nfs/dbraw/zinc/36/66/20/534366620.db2.gz ZUQVEIYUHAOFBX-UHFFFAOYSA-N 1 2 317.736 3.211 20 5 DGBDLO CC(C)(O)C(C)(C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413313997 527310761 /nfs/dbraw/zinc/31/07/61/527310761.db2.gz HWUAGYIDADHPEL-UHFFFAOYSA-N 1 2 303.362 3.352 20 5 DGBDLO CC(C)[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413227222 527862936 /nfs/dbraw/zinc/86/29/36/527862936.db2.gz FBCIFOMDNWXIEF-OAHLLOKOSA-N 1 2 301.346 3.004 20 5 DGBDLO CC[N@H+](CCC(F)(F)F)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891863098 617914093 /nfs/dbraw/zinc/91/40/93/617914093.db2.gz VAAHKGNZXMYKTA-UHFFFAOYSA-N 1 2 322.283 3.083 20 5 DGBDLO CC[N@@H+](CCC(F)(F)F)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891863098 617914095 /nfs/dbraw/zinc/91/40/95/617914095.db2.gz VAAHKGNZXMYKTA-UHFFFAOYSA-N 1 2 322.283 3.083 20 5 DGBDLO COCC1(C2CCC2)C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895346102 618599423 /nfs/dbraw/zinc/59/94/23/618599423.db2.gz CVOBUACTQBZXPF-UHFFFAOYSA-N 1 2 324.808 3.497 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc(Cl)cn2)C2CC2)cc1 ZINC000788019677 619030751 /nfs/dbraw/zinc/03/07/51/619030751.db2.gz BHLBYWILJWJOAX-UHFFFAOYSA-N 1 2 318.764 3.203 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc(Cl)cn2)C2CC2)cc1 ZINC000788019677 619030752 /nfs/dbraw/zinc/03/07/52/619030752.db2.gz BHLBYWILJWJOAX-UHFFFAOYSA-N 1 2 318.764 3.203 20 5 DGBDLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903186505 619736780 /nfs/dbraw/zinc/73/67/80/619736780.db2.gz LWZYZMNZMVYSQU-NEPJUHHUSA-N 1 2 318.377 3.232 20 5 DGBDLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903186507 619736862 /nfs/dbraw/zinc/73/68/62/619736862.db2.gz LWZYZMNZMVYSQU-RYUDHWBXSA-N 1 2 318.377 3.232 20 5 DGBDLO Cc1ccc([C@H](C)[NH2+][C@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000903333871 619759092 /nfs/dbraw/zinc/75/90/92/619759092.db2.gz URIMSSJWVHRWJC-LRDDRELGSA-N 1 2 312.373 3.495 20 5 DGBDLO C[C@H]1[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000922557491 621057290 /nfs/dbraw/zinc/05/72/90/621057290.db2.gz PEUMMTAIZJMILW-BLLLJJGKSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@H]1[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000922557491 621057293 /nfs/dbraw/zinc/05/72/93/621057293.db2.gz PEUMMTAIZJMILW-BLLLJJGKSA-N 1 2 315.373 3.037 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)c2ccsc2)c1 ZINC000769932647 622578969 /nfs/dbraw/zinc/57/89/69/622578969.db2.gz HBEGUVPZLJCOSW-CYBMUJFWSA-N 1 2 312.778 3.133 20 5 DGBDLO COc1cc(F)c([N+](=O)[O-])c(NCCCNc2cccc[nH+]2)c1 ZINC000771090270 622713125 /nfs/dbraw/zinc/71/31/25/622713125.db2.gz LREBUKGWHQTXCD-UHFFFAOYSA-N 1 2 320.324 3.052 20 5 DGBDLO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872041618 622769604 /nfs/dbraw/zinc/76/96/04/622769604.db2.gz IXMXIXIHJBRBPG-FGDXXIHYSA-N 1 2 316.332 3.043 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000872075329 622790772 /nfs/dbraw/zinc/79/07/72/622790772.db2.gz PWWFCXYDMHZJAU-GXFFZTMASA-N 1 2 318.402 3.309 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000872075331 622791195 /nfs/dbraw/zinc/79/11/95/622791195.db2.gz PWWFCXYDMHZJAU-ZWNOBZJWSA-N 1 2 318.402 3.309 20 5 DGBDLO COCc1cc[nH+]c(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872084637 622796277 /nfs/dbraw/zinc/79/62/77/622796277.db2.gz SZSWCFPZSGVELH-SNVBAGLBSA-N 1 2 305.309 3.448 20 5 DGBDLO CC1=CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774637673 623168708 /nfs/dbraw/zinc/16/87/08/623168708.db2.gz COSBWVXCXNVLNI-UHFFFAOYSA-N 1 2 306.753 3.207 20 5 DGBDLO CC1=CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774637673 623168711 /nfs/dbraw/zinc/16/87/11/623168711.db2.gz COSBWVXCXNVLNI-UHFFFAOYSA-N 1 2 306.753 3.207 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000876619006 623661196 /nfs/dbraw/zinc/66/11/96/623661196.db2.gz LVXMCPMLVILDFR-AWEZNQCLSA-N 1 2 314.389 3.314 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000876619006 623661199 /nfs/dbraw/zinc/66/11/99/623661199.db2.gz LVXMCPMLVILDFR-AWEZNQCLSA-N 1 2 314.389 3.314 20 5 DGBDLO C[C@@H]1CC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000779256383 623747846 /nfs/dbraw/zinc/74/78/46/623747846.db2.gz FGRGAJDOPGYXPS-YPMHNXCESA-N 1 2 315.329 3.126 20 5 DGBDLO COc1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1[N+](=O)[O-] ZINC000876984529 623759708 /nfs/dbraw/zinc/75/97/08/623759708.db2.gz IYNZSMNYCRXFQE-UHFFFAOYSA-N 1 2 313.766 3.003 20 5 DGBDLO Cc1csc([C@@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000877813587 624046786 /nfs/dbraw/zinc/04/67/86/624046786.db2.gz MQTOHJQCEQZNQA-LLVKDONJSA-N 1 2 319.386 3.055 20 5 DGBDLO Cc1csc([C@@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000877813587 624046791 /nfs/dbraw/zinc/04/67/91/624046791.db2.gz MQTOHJQCEQZNQA-LLVKDONJSA-N 1 2 319.386 3.055 20 5 DGBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885935976 627063914 /nfs/dbraw/zinc/06/39/14/627063914.db2.gz XNKPJZIGTJSAKO-JTQLQIEISA-N 1 2 307.300 3.461 20 5 DGBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885935976 627063918 /nfs/dbraw/zinc/06/39/18/627063918.db2.gz XNKPJZIGTJSAKO-JTQLQIEISA-N 1 2 307.300 3.461 20 5 DGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886120704 627108390 /nfs/dbraw/zinc/10/83/90/627108390.db2.gz LUOUMZBOAJQNGN-ONGXEEELSA-N 1 2 303.284 3.153 20 5 DGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886120704 627108391 /nfs/dbraw/zinc/10/83/91/627108391.db2.gz LUOUMZBOAJQNGN-ONGXEEELSA-N 1 2 303.284 3.153 20 5 DGBDLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000886433735 627148140 /nfs/dbraw/zinc/14/81/40/627148140.db2.gz SLRURWNIRZEIEE-KRWDZBQOSA-N 1 2 318.348 3.208 20 5 DGBDLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000886433735 627148141 /nfs/dbraw/zinc/14/81/41/627148141.db2.gz SLRURWNIRZEIEE-KRWDZBQOSA-N 1 2 318.348 3.208 20 5 DGBDLO C[C@H](CC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000844326874 630719135 /nfs/dbraw/zinc/71/91/35/630719135.db2.gz LFOSQYDGFVRPQN-VXGBXAGGSA-N 1 2 303.318 3.047 20 5 DGBDLO C[C@@H](CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000844326871 630719227 /nfs/dbraw/zinc/71/92/27/630719227.db2.gz LFOSQYDGFVRPQN-RYUDHWBXSA-N 1 2 303.318 3.047 20 5 DGBDLO C[C@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1Cl)n1cc[nH+]c1 ZINC000844396174 630724457 /nfs/dbraw/zinc/72/44/57/630724457.db2.gz MQNZNCZTKAXWBY-SNVBAGLBSA-N 1 2 323.736 3.139 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000844442804 630730291 /nfs/dbraw/zinc/73/02/91/630730291.db2.gz FHNBRWAUZHDNAG-CYBMUJFWSA-N 1 2 318.270 3.494 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000844442804 630730292 /nfs/dbraw/zinc/73/02/92/630730292.db2.gz FHNBRWAUZHDNAG-CYBMUJFWSA-N 1 2 318.270 3.494 20 5 DGBDLO C[C@H](CC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845285179 631160855 /nfs/dbraw/zinc/16/08/55/631160855.db2.gz POVFABNNJFMJCI-VXGBXAGGSA-N 1 2 303.318 3.047 20 5 DGBDLO Cc1ccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000793365506 661026950 /nfs/dbraw/zinc/02/69/50/661026950.db2.gz LVBFORFDIYJZLM-UHFFFAOYSA-N 1 2 324.764 3.144 20 5 DGBDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000793365506 661026953 /nfs/dbraw/zinc/02/69/53/661026953.db2.gz LVBFORFDIYJZLM-UHFFFAOYSA-N 1 2 324.764 3.144 20 5 DGBDLO Cc1cc(N)nc(SCc2cc(Cl)ccc2[N+](=O)[O-])[nH+]1 ZINC000074783174 659910986 /nfs/dbraw/zinc/91/09/86/659910986.db2.gz FYSAGDRSWZRMBE-UHFFFAOYSA-N 1 2 310.766 3.221 20 5 DGBDLO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C(=O)OC ZINC000933193217 661623042 /nfs/dbraw/zinc/62/30/42/661623042.db2.gz MMJYFNPVNBUGSI-UHFFFAOYSA-N 1 2 314.769 3.022 20 5 DGBDLO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C(=O)OC ZINC000933193217 661623043 /nfs/dbraw/zinc/62/30/43/661623043.db2.gz MMJYFNPVNBUGSI-UHFFFAOYSA-N 1 2 314.769 3.022 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933918090 661666393 /nfs/dbraw/zinc/66/63/93/661666393.db2.gz PWCNNFAKIUREQJ-HNNXBMFYSA-N 1 2 308.403 3.018 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933918090 661666394 /nfs/dbraw/zinc/66/63/94/661666394.db2.gz PWCNNFAKIUREQJ-HNNXBMFYSA-N 1 2 308.403 3.018 20 5 DGBDLO COc1c(C)c[nH+]c(CSCc2cccnc2[N+](=O)[O-])c1C ZINC001331980111 1178326368 /nfs/dbraw/zinc/32/63/68/1178326368.db2.gz VOBRZHXFONKCIQ-UHFFFAOYSA-N 1 2 319.386 3.444 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])ccn12 ZINC001439033812 1181990474 /nfs/dbraw/zinc/99/04/74/1181990474.db2.gz ZWLPTKWBVZNDLL-GFCCVEGCSA-N 1 2 324.340 3.042 20 5 DGBDLO CCc1cc(NCCOc2ccc([N+](=O)[O-])cc2)nc(CC)[nH+]1 ZINC001458161312 1182500769 /nfs/dbraw/zinc/50/07/69/1182500769.db2.gz FXSCQJKPWWUOOH-UHFFFAOYSA-N 1 2 316.361 3.001 20 5 DGBDLO Cc1noc(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC001459860371 1182623722 /nfs/dbraw/zinc/62/37/22/1182623722.db2.gz NWDLEJUGLXPCLR-SNVBAGLBSA-N 1 2 301.346 3.231 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC001460178767 1182659691 /nfs/dbraw/zinc/65/96/91/1182659691.db2.gz URDQXLNHGIMEQQ-UHFFFAOYSA-N 1 2 313.332 3.418 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC001460178767 1182659698 /nfs/dbraw/zinc/65/96/98/1182659698.db2.gz URDQXLNHGIMEQQ-UHFFFAOYSA-N 1 2 313.332 3.418 20 5 DGBDLO Cc1ncc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 ZINC001461577207 1182829947 /nfs/dbraw/zinc/82/99/47/1182829947.db2.gz WYIPSYKHXZTURD-UHFFFAOYSA-N 1 2 313.313 3.441 20 5 DGBDLO Cc1nc(NCc2ccc(Br)cc2[N+](=O)[O-])cc[nH+]1 ZINC001472864731 1183692333 /nfs/dbraw/zinc/69/23/33/1183692333.db2.gz HWDHHMRNCXCJDZ-UHFFFAOYSA-N 1 2 323.150 3.068 20 5 DGBDLO CCc1cn(Cc2cccc([N+](=O)[O-])c2Br)c[nH+]1 ZINC001614960022 1193514722 /nfs/dbraw/zinc/51/47/22/1193514722.db2.gz JNMZIGLUMUEMAX-UHFFFAOYSA-N 1 2 310.151 3.165 20 5 DGBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc(C)[nH+]1 ZINC001536666044 1188023303 /nfs/dbraw/zinc/02/33/03/1188023303.db2.gz IWYYJZVJLRABMK-UHFFFAOYSA-N 1 2 319.748 3.190 20 5 DGBDLO CCOc1cc(C[NH+]2C[C@H](CC)O[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC001559925315 1189257349 /nfs/dbraw/zinc/25/73/49/1189257349.db2.gz QDMOTFNQVIIIHO-GJZGRUSLSA-N 1 2 322.405 3.383 20 5 DGBDLO O=[N+]([O-])c1cccc(Br)c1C[NH2+]Cc1cccnc1 ZINC001620696845 1193792529 /nfs/dbraw/zinc/79/25/29/1193792529.db2.gz QPNGMAYXMDHWNU-UHFFFAOYSA-N 1 2 322.162 3.042 20 5 DGBDLO CCn1cnc(Cl)c1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001651513085 1195473848 /nfs/dbraw/zinc/47/38/48/1195473848.db2.gz MEQLXIXZZYVZJN-SNVBAGLBSA-N 1 2 308.769 3.315 20 5 DGBDLO O=[N+]([O-])c1ccc(OCCSc2[nH+]cnc3[nH]ccc32)cc1 ZINC001655711357 1195953306 /nfs/dbraw/zinc/95/33/06/1195953306.db2.gz PQDXPLUSFRUAQU-UHFFFAOYSA-N 1 2 316.342 3.037 20 5 DGBDLO Cc1nnc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC001657769204 1196177152 /nfs/dbraw/zinc/17/71/52/1196177152.db2.gz YJFDVVDVUWORSE-UHFFFAOYSA-N 1 2 306.391 3.168 20 5 DGBDLO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001660093116 1196443972 /nfs/dbraw/zinc/44/39/72/1196443972.db2.gz HWDQIDDLHSKGGS-CYBMUJFWSA-N 1 2 323.356 3.026 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc1Br ZINC000699208236 1087897738 /nfs/dbraw/zinc/89/77/38/1087897738.db2.gz PERHUWWRDLWUEZ-QWRGUYRKSA-N 1 2 311.179 3.199 20 5 DGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc1Br ZINC000699208236 1087897762 /nfs/dbraw/zinc/89/77/62/1087897762.db2.gz PERHUWWRDLWUEZ-QWRGUYRKSA-N 1 2 311.179 3.199 20 5 DGBDLO O=[N+]([O-])c1cc(NCCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC001161684471 1089344059 /nfs/dbraw/zinc/34/40/59/1089344059.db2.gz CILSTXGUOPOKLS-UHFFFAOYSA-N 1 2 314.267 3.312 20 5 DGBDLO O=[N+]([O-])c1cnc(NCc2ccc3[nH+]ccn3c2)c2ccccc21 ZINC001163136220 1090086649 /nfs/dbraw/zinc/08/66/49/1090086649.db2.gz CKCAGCLIYPAFLY-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO O=[N+]([O-])c1ccc2oc(CNc3cc4cc[nH]c4c[nH+]3)nc2c1 ZINC001206475440 1091642860 /nfs/dbraw/zinc/64/28/60/1091642860.db2.gz AATFEFLCBHGGPQ-UHFFFAOYSA-N 1 2 309.285 3.224 20 5 DGBDLO O=[N+]([O-])c1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1F ZINC001211190641 1093411394 /nfs/dbraw/zinc/41/13/94/1093411394.db2.gz XLXPJMRRVQOUNT-UHFFFAOYSA-N 1 2 302.309 3.473 20 5 DGBDLO FC1(F)C[NH2+]CC[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218007823 1094556042 /nfs/dbraw/zinc/55/60/42/1094556042.db2.gz VICITHMXTUWCGQ-HNNXBMFYSA-N 1 2 315.323 3.159 20 5 DGBDLO CCOC(=[NH2+])CCCCO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224963020 1096323744 /nfs/dbraw/zinc/32/37/44/1096323744.db2.gz FJSWQFVJZBLALE-OAHLLOKOSA-N 1 2 306.362 3.263 20 5 DGBDLO Cc1cc[nH+]c(C)c1O[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227263715 1096908497 /nfs/dbraw/zinc/90/84/97/1096908497.db2.gz HEFLGBAHBHKCDH-LLVKDONJSA-N 1 2 316.313 3.475 20 5 DGBDLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214850 1097366903 /nfs/dbraw/zinc/36/69/03/1097366903.db2.gz QVUITUZBUFYPIK-XJKSGUPXSA-N 1 2 322.405 3.093 20 5 DGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(F)(F)c1ccccn1 ZINC001173218259 1097369611 /nfs/dbraw/zinc/36/96/11/1097369611.db2.gz JQGUGUBFMIPHSZ-GFCCVEGCSA-N 1 2 321.327 3.302 20 5 DGBDLO COc1cc[nH+]cc1-n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001176124642 1098266808 /nfs/dbraw/zinc/26/68/08/1098266808.db2.gz SODBBZPDNIEVCG-UHFFFAOYSA-N 1 2 317.348 3.081 20 5 DGBDLO CCn1cnc(Cl)c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001179506929 1099127158 /nfs/dbraw/zinc/12/71/58/1099127158.db2.gz MEQLXIXZZYVZJN-JTQLQIEISA-N 1 2 308.769 3.315 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1noc(C)n1 ZINC001329850545 1104399851 /nfs/dbraw/zinc/39/98/51/1104399851.db2.gz PXZZRDIGCVOZNE-PFEDMVJOSA-N 1 2 302.334 3.040 20 5 DGBDLO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H](C)n2cc[nH+]c2)n1 ZINC001320497812 1107027438 /nfs/dbraw/zinc/02/74/38/1107027438.db2.gz PEEXOHKNYJNQFW-NSHDSACASA-N 1 2 313.317 3.067 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1OCc1[nH+]cc(C)c(OC)c1C ZINC000078817905 185115078 /nfs/dbraw/zinc/11/50/78/185115078.db2.gz OXMBZZMKYXSEDB-UHFFFAOYSA-N 1 2 318.329 3.203 20 5 DGBDLO CC[C@]1(CO)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413253665 529427246 /nfs/dbraw/zinc/42/72/46/529427246.db2.gz VXOFMGNDSPHMPH-KRWDZBQOSA-N 1 2 315.373 3.132 20 5 DGBDLO CN(CCC1CCOCC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413180601 529878488 /nfs/dbraw/zinc/87/84/88/529878488.db2.gz DFPQFVIBXLCKPG-UHFFFAOYSA-N 1 2 315.373 3.396 20 5 DGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000181839614 199359952 /nfs/dbraw/zinc/35/99/52/199359952.db2.gz LHMFBEDFELWMNF-LLVKDONJSA-N 1 2 318.377 3.435 20 5 DGBDLO CC(C)Oc1cc[nH+]cc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000286967022 219248565 /nfs/dbraw/zinc/24/85/65/219248565.db2.gz NMMUBPKMXPKQGJ-UHFFFAOYSA-N 1 2 316.313 3.134 20 5 DGBDLO Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000130663526 432028055 /nfs/dbraw/zinc/02/80/55/432028055.db2.gz JJNBDHSDPYRENS-UHFFFAOYSA-N 1 2 317.370 3.337 20 5 DGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)on1 ZINC000331801313 234137874 /nfs/dbraw/zinc/13/78/74/234137874.db2.gz IQIYRLXOGUIKHL-CQSZACIVSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)on1 ZINC000331801313 234137878 /nfs/dbraw/zinc/13/78/78/234137878.db2.gz IQIYRLXOGUIKHL-CQSZACIVSA-N 1 2 305.309 3.367 20 5 DGBDLO Cc1ccc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c[nH+]1 ZINC000331894942 234246588 /nfs/dbraw/zinc/24/65/88/234246588.db2.gz HBOPYZXZGSSUQB-UONOGXRCSA-N 1 2 301.350 3.091 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c(Cl)c1 ZINC000182108494 199387244 /nfs/dbraw/zinc/38/72/44/199387244.db2.gz NEJWSBLQZLAVRO-UHFFFAOYSA-N 1 2 320.780 3.351 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000080311191 192023070 /nfs/dbraw/zinc/02/30/70/192023070.db2.gz HYDMPOQPLKTIJD-JTQLQIEISA-N 1 2 307.375 3.219 20 5 DGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339140040 291297844 /nfs/dbraw/zinc/29/78/44/291297844.db2.gz JWCOZJYWMYKXCQ-GZMMTYOYSA-N 1 2 304.268 3.073 20 5 DGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339140040 291297849 /nfs/dbraw/zinc/29/78/49/291297849.db2.gz JWCOZJYWMYKXCQ-GZMMTYOYSA-N 1 2 304.268 3.073 20 5 DGBDLO Cc1noc(C)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135228625 432106012 /nfs/dbraw/zinc/10/60/12/432106012.db2.gz XEHPJTZIWMBJKA-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO Cc1noc(C)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135228625 432106014 /nfs/dbraw/zinc/10/60/14/432106014.db2.gz XEHPJTZIWMBJKA-UHFFFAOYSA-N 1 2 301.346 3.364 20 5 DGBDLO COc1cccnc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449745383 240394430 /nfs/dbraw/zinc/39/44/30/240394430.db2.gz BQOJBXBTKCESBK-UHFFFAOYSA-N 1 2 315.373 3.412 20 5 DGBDLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554062 241171305 /nfs/dbraw/zinc/17/13/05/241171305.db2.gz YXZSZBJWVXGQQG-WCQYABFASA-N 1 2 318.402 3.387 20 5 DGBDLO C[C@@H](c1csnn1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554062 241171312 /nfs/dbraw/zinc/17/13/12/241171312.db2.gz YXZSZBJWVXGQQG-WCQYABFASA-N 1 2 318.402 3.387 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000119359363 284141369 /nfs/dbraw/zinc/14/13/69/284141369.db2.gz WDXLMVHFMNTPNV-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000119359363 284141370 /nfs/dbraw/zinc/14/13/70/284141370.db2.gz WDXLMVHFMNTPNV-UHFFFAOYSA-N 1 2 310.781 3.393 20 5 DGBDLO Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000093363943 193238766 /nfs/dbraw/zinc/23/87/66/193238766.db2.gz AUOCJWFWUVWBJV-UHFFFAOYSA-N 1 2 324.384 3.422 20 5 DGBDLO Cc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000093363943 193238769 /nfs/dbraw/zinc/23/87/69/193238769.db2.gz AUOCJWFWUVWBJV-UHFFFAOYSA-N 1 2 324.384 3.422 20 5 DGBDLO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000264929554 204278873 /nfs/dbraw/zinc/27/88/73/204278873.db2.gz OUUKHEXCRUHJTC-LBPRGKRZSA-N 1 2 311.345 3.088 20 5 DGBDLO COCc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000266187922 205169646 /nfs/dbraw/zinc/16/96/46/205169646.db2.gz HSTMXTFTYGSATQ-SNVBAGLBSA-N 1 2 307.375 3.049 20 5 DGBDLO CO[C@H](C)c1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000267638616 206188476 /nfs/dbraw/zinc/18/84/76/206188476.db2.gz QCYNSNMPWWZUIL-SNVBAGLBSA-N 1 2 307.375 3.049 20 5 DGBDLO CC(C)c1noc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285331429 218384484 /nfs/dbraw/zinc/38/44/84/218384484.db2.gz NWZBWSCTCLBFKP-LBPRGKRZSA-N 1 2 318.377 3.337 20 5 DGBDLO CC(C)c1noc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285331429 218384486 /nfs/dbraw/zinc/38/44/86/218384486.db2.gz NWZBWSCTCLBFKP-LBPRGKRZSA-N 1 2 318.377 3.337 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270169865 208232539 /nfs/dbraw/zinc/23/25/39/208232539.db2.gz JZYFPBCSALCUGF-UHFFFAOYSA-N 1 2 316.279 3.298 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270169865 208232544 /nfs/dbraw/zinc/23/25/44/208232544.db2.gz JZYFPBCSALCUGF-UHFFFAOYSA-N 1 2 316.279 3.298 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)c(N2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000290598526 285087548 /nfs/dbraw/zinc/08/75/48/285087548.db2.gz DPRXBCPARCSEGN-UHFFFAOYSA-N 1 2 313.144 3.118 20 5 DGBDLO CCn1c2ccccc2[nH+]c1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344421107 254269058 /nfs/dbraw/zinc/26/90/58/254269058.db2.gz ANVDMJRWCIHEHH-UHFFFAOYSA-N 1 2 311.345 3.014 20 5 DGBDLO C[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000120644877 195206922 /nfs/dbraw/zinc/20/69/22/195206922.db2.gz ZLNRAXWHQIJGEM-UHFFFAOYSA-N 1 2 317.414 3.071 20 5 DGBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)c2ncccc12 ZINC000356860212 285525796 /nfs/dbraw/zinc/52/57/96/285525796.db2.gz NWPGXDCPUKBWSG-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DGBDLO Cc1cccn2cc(CNc3ncc(Cl)cc3[N+](=O)[O-])[nH+]c12 ZINC000091628488 400129812 /nfs/dbraw/zinc/12/98/12/400129812.db2.gz RAPGUISABOKNRP-UHFFFAOYSA-N 1 2 317.736 3.211 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2cccs2)CC1 ZINC000595338864 400130780 /nfs/dbraw/zinc/13/07/80/400130780.db2.gz KOWDKLIZAWBNOA-UHFFFAOYSA-N 1 2 321.377 3.118 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000595398955 400141115 /nfs/dbraw/zinc/14/11/15/400141115.db2.gz SQGOYMHDSYJQJD-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000595398955 400141126 /nfs/dbraw/zinc/14/11/26/400141126.db2.gz SQGOYMHDSYJQJD-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1cc(F)ccc1F ZINC000595419083 400144318 /nfs/dbraw/zinc/14/43/18/400144318.db2.gz XECYUYANLZGWNG-LBPRGKRZSA-N 1 2 311.288 3.410 20 5 DGBDLO C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000586794964 400158542 /nfs/dbraw/zinc/15/85/42/400158542.db2.gz FPOGSLDYMRPNBY-XHDPSFHLSA-N 1 2 300.362 3.130 20 5 DGBDLO CSc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595475897 400163065 /nfs/dbraw/zinc/16/30/65/400163065.db2.gz QJWWFIROCCFUOI-VIFPVBQESA-N 1 2 307.375 3.464 20 5 DGBDLO Cc1[nH+]c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2n1C ZINC000610310302 400240577 /nfs/dbraw/zinc/24/05/77/400240577.db2.gz KRONHXXOJBPRTD-UHFFFAOYSA-N 1 2 310.313 3.042 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CCOCC23CCC3)cc1[N+](=O)[O-] ZINC000093510213 400250055 /nfs/dbraw/zinc/25/00/55/400250055.db2.gz JATDCJFCMTZDOV-UHFFFAOYSA-N 1 2 304.390 3.473 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CCOCC23CCC3)cc1[N+](=O)[O-] ZINC000093510213 400250060 /nfs/dbraw/zinc/25/00/60/400250060.db2.gz JATDCJFCMTZDOV-UHFFFAOYSA-N 1 2 304.390 3.473 20 5 DGBDLO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610161268 400217521 /nfs/dbraw/zinc/21/75/21/400217521.db2.gz BPXMPPODGVRVQC-CYBMUJFWSA-N 1 2 318.348 3.117 20 5 DGBDLO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610161268 400217525 /nfs/dbraw/zinc/21/75/25/400217525.db2.gz BPXMPPODGVRVQC-CYBMUJFWSA-N 1 2 318.348 3.117 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc(O)c1 ZINC000610504518 400267065 /nfs/dbraw/zinc/26/70/65/400267065.db2.gz VZXWCPVPJYGCIS-UHFFFAOYSA-N 1 2 316.357 3.331 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000610504518 400267072 /nfs/dbraw/zinc/26/70/72/400267072.db2.gz VZXWCPVPJYGCIS-UHFFFAOYSA-N 1 2 316.357 3.331 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595916829 400294897 /nfs/dbraw/zinc/29/48/97/400294897.db2.gz LUUQQVDYSFVXAN-HFAKWTLXSA-N 1 2 314.332 3.400 20 5 DGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595916829 400294899 /nfs/dbraw/zinc/29/48/99/400294899.db2.gz LUUQQVDYSFVXAN-HFAKWTLXSA-N 1 2 314.332 3.400 20 5 DGBDLO COc1cc(NC[C@@H](C)Cn2cc[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC000596080873 400311929 /nfs/dbraw/zinc/31/19/29/400311929.db2.gz OVWMBKSRMRNIQV-SNVBAGLBSA-N 1 2 324.768 3.202 20 5 DGBDLO COc1ncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000611031699 400340337 /nfs/dbraw/zinc/34/03/37/400340337.db2.gz UCQSIJDABNDRNP-UHFFFAOYSA-N 1 2 321.764 3.284 20 5 DGBDLO COc1ncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000611031699 400340341 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O=C(Nc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000039338924 400398093 /nfs/dbraw/zinc/39/80/93/400398093.db2.gz RXRYZDQORMDWQB-UHFFFAOYSA-N 1 2 308.297 3.033 20 5 DGBDLO COc1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000590660556 400411796 /nfs/dbraw/zinc/41/17/96/400411796.db2.gz IQKBBXCZXBYZHR-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO COc1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000590660556 400411801 /nfs/dbraw/zinc/41/18/01/400411801.db2.gz IQKBBXCZXBYZHR-UHFFFAOYSA-N 1 2 316.332 3.301 20 5 DGBDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612461920 400549379 /nfs/dbraw/zinc/54/93/79/400549379.db2.gz ZGZQNXACGXNEPS-QMMMGPOBSA-N 1 2 316.317 3.192 20 5 DGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1Br ZINC000602715244 400549811 /nfs/dbraw/zinc/54/98/11/400549811.db2.gz YOLYPZQVGCWDNU-YUMQZZPRSA-N 1 2 317.208 3.261 20 5 DGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1Br ZINC000602715244 400549816 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Cc1c[nH+]cc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000119589567 431710235 /nfs/dbraw/zinc/71/02/35/431710235.db2.gz PGJPJJYNAQVERD-UHFFFAOYSA-N 1 2 323.356 3.311 20 5 DGBDLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173317318 432272735 /nfs/dbraw/zinc/27/27/35/432272735.db2.gz DCDYQFRWCOQXNH-CYBMUJFWSA-N 1 2 323.356 3.026 20 5 DGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000173511100 432284945 /nfs/dbraw/zinc/28/49/45/432284945.db2.gz VDNWUPIIDWGDHA-UHFFFAOYSA-N 1 2 322.324 3.166 20 5 DGBDLO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000183178525 432266144 /nfs/dbraw/zinc/26/61/44/432266144.db2.gz ICNJPVLGBPDGRA-HNNXBMFYSA-N 1 2 322.311 3.350 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)Cc1ccncc1 ZINC000271022612 432317067 /nfs/dbraw/zinc/31/70/67/432317067.db2.gz OIUCTWJWXRCVQX-UHFFFAOYSA-N 1 2 315.373 3.411 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)Cc1ccncc1 ZINC000271022612 432317069 /nfs/dbraw/zinc/31/70/69/432317069.db2.gz OIUCTWJWXRCVQX-UHFFFAOYSA-N 1 2 315.373 3.411 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000185557941 432510524 /nfs/dbraw/zinc/51/05/24/432510524.db2.gz SMPMZQGOCXMTFS-UHFFFAOYSA-N 1 2 320.736 3.273 20 5 DGBDLO Cc1occc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177021446 432576375 /nfs/dbraw/zinc/57/63/75/432576375.db2.gz RGBRVKYQDBUETI-UHFFFAOYSA-N 1 2 301.302 3.269 20 5 DGBDLO Cc1occc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177021446 432576380 /nfs/dbraw/zinc/57/63/80/432576380.db2.gz RGBRVKYQDBUETI-UHFFFAOYSA-N 1 2 301.302 3.269 20 5 DGBDLO CC(C)(C)OCc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC000186428122 432594673 /nfs/dbraw/zinc/59/46/73/432594673.db2.gz WIUCVQZMFIHPRG-UHFFFAOYSA-N 1 2 319.361 3.188 20 5 DGBDLO COc1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000265395028 432697600 /nfs/dbraw/zinc/69/76/00/432697600.db2.gz VVZHJISGOCSVDZ-UHFFFAOYSA-N 1 2 314.345 3.191 20 5 DGBDLO Cc1cccc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000275405829 432727153 /nfs/dbraw/zinc/72/71/53/432727153.db2.gz FLZVOIYYAHJEBU-UHFFFAOYSA-N 1 2 314.389 3.323 20 5 DGBDLO CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1[nH]cc[nH+]1 ZINC000276583265 432820746 /nfs/dbraw/zinc/82/07/46/432820746.db2.gz JQMNKFMEHNBOGT-GFCCVEGCSA-N 1 2 322.752 3.098 20 5 DGBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCCCC3)[nH+]c2)s1 ZINC000276498322 432813743 /nfs/dbraw/zinc/81/37/43/432813743.db2.gz QZTMHLJSMCKYIA-UHFFFAOYSA-N 1 2 319.390 3.049 20 5 DGBDLO CCCn1ncnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000279332842 432955931 /nfs/dbraw/zinc/95/59/31/432955931.db2.gz DHJIJINRJOXHKR-UHFFFAOYSA-N 1 2 317.393 3.007 20 5 DGBDLO CCCn1ncnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000279332842 432955933 /nfs/dbraw/zinc/95/59/33/432955933.db2.gz DHJIJINRJOXHKR-UHFFFAOYSA-N 1 2 317.393 3.007 20 5 DGBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361257173 433063019 /nfs/dbraw/zinc/06/30/19/433063019.db2.gz FNXIYJQJNPEGFV-NSHDSACASA-N 1 2 311.345 3.059 20 5 DGBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361257173 433063026 /nfs/dbraw/zinc/06/30/26/433063026.db2.gz FNXIYJQJNPEGFV-NSHDSACASA-N 1 2 311.345 3.059 20 5 DGBDLO COC(=O)c1ccc([C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000298265403 433075017 /nfs/dbraw/zinc/07/50/17/433075017.db2.gz DBQMSECCHIYZBS-NSHDSACASA-N 1 2 318.329 3.167 20 5 DGBDLO COC(=O)c1ccc([C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000298265403 433075024 /nfs/dbraw/zinc/07/50/24/433075024.db2.gz DBQMSECCHIYZBS-NSHDSACASA-N 1 2 318.329 3.167 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)c(OC(F)F)c1 ZINC000354524115 433128240 /nfs/dbraw/zinc/12/82/40/433128240.db2.gz SBOQEUKAPUPSSD-UHFFFAOYSA-N 1 2 324.287 3.115 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](CCO)CC3)c2c1 ZINC000420634955 433235791 /nfs/dbraw/zinc/23/57/91/433235791.db2.gz DQVBFNZZDPJMDB-ZDUSSCGKSA-N 1 2 315.373 3.132 20 5 DGBDLO CCC(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805350 433284562 /nfs/dbraw/zinc/28/45/62/433284562.db2.gz IPEIVVGXCSXVBI-UHFFFAOYSA-N 1 2 321.421 3.275 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2ccn(CC)n2)cc1[N+](=O)[O-] ZINC000414211786 433462133 /nfs/dbraw/zinc/46/21/33/433462133.db2.gz QRFRZKAINCVASH-GFCCVEGCSA-N 1 2 318.377 3.061 20 5 DGBDLO Cc1ccnc(NCCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000301261504 433477481 /nfs/dbraw/zinc/47/74/81/433477481.db2.gz FMGVLTHSMBBARF-UHFFFAOYSA-N 1 2 311.345 3.219 20 5 DGBDLO Cc1c([C@@H](C)[NH2+]Cc2nnc(C3CC3)s2)cccc1[N+](=O)[O-] ZINC000414321109 433541655 /nfs/dbraw/zinc/54/16/55/433541655.db2.gz DIVXIGRWEMCWES-SNVBAGLBSA-N 1 2 318.402 3.483 20 5 DGBDLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000414321129 433541951 /nfs/dbraw/zinc/54/19/51/433541951.db2.gz DNNKHUHDXKVJPN-VIFPVBQESA-N 1 2 304.375 3.175 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000371253448 293206100 /nfs/dbraw/zinc/20/61/00/293206100.db2.gz KGGVOCWMOJDOFD-NSHDSACASA-N 1 2 304.325 3.228 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372991509 293248428 /nfs/dbraw/zinc/24/84/28/293248428.db2.gz UJARSTOFJCFJCR-ZDUSSCGKSA-N 1 2 314.389 3.321 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000372991509 293248431 /nfs/dbraw/zinc/24/84/31/293248431.db2.gz UJARSTOFJCFJCR-ZDUSSCGKSA-N 1 2 314.389 3.321 20 5 DGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000372991509 293248433 /nfs/dbraw/zinc/24/84/33/293248433.db2.gz UJARSTOFJCFJCR-ZDUSSCGKSA-N 1 2 314.389 3.321 20 5 DGBDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000356869703 433739344 /nfs/dbraw/zinc/73/93/44/433739344.db2.gz RWLGTXAHFKEMHJ-JTQLQIEISA-N 1 2 304.350 3.260 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000432342745 433824539 /nfs/dbraw/zinc/82/45/39/433824539.db2.gz NBZVAXMKDACYQV-LLVKDONJSA-N 1 2 318.764 3.334 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000430211001 433788080 /nfs/dbraw/zinc/78/80/80/433788080.db2.gz GRUYQEANWBGZPS-CQSZACIVSA-N 1 2 317.345 3.237 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000430211001 433788091 /nfs/dbraw/zinc/78/80/91/433788091.db2.gz GRUYQEANWBGZPS-CQSZACIVSA-N 1 2 317.345 3.237 20 5 DGBDLO O=C(C[N@@H+]1CC2CCC1CC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000362622773 433791932 /nfs/dbraw/zinc/79/19/32/433791932.db2.gz PIMJERRKPVKQPX-UHFFFAOYSA-N 1 2 323.780 3.061 20 5 DGBDLO O=C(C[N@H+]1CC2CCC1CC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000362622773 433791946 /nfs/dbraw/zinc/79/19/46/433791946.db2.gz PIMJERRKPVKQPX-UHFFFAOYSA-N 1 2 323.780 3.061 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1(F)F ZINC000352028375 433875732 /nfs/dbraw/zinc/87/57/32/433875732.db2.gz PYHXVDJLGWCARD-SECBINFHSA-N 1 2 311.288 3.213 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1(F)F ZINC000352028375 433875745 /nfs/dbraw/zinc/87/57/45/433875745.db2.gz PYHXVDJLGWCARD-SECBINFHSA-N 1 2 311.288 3.213 20 5 DGBDLO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1[N+](=O)[O-] ZINC000433044665 433836104 /nfs/dbraw/zinc/83/61/04/433836104.db2.gz BQMDAQRGDHFDRP-DMZKTXOQSA-N 1 2 324.446 3.061 20 5 DGBDLO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1[N+](=O)[O-] ZINC000433044665 433836111 /nfs/dbraw/zinc/83/61/11/433836111.db2.gz BQMDAQRGDHFDRP-DMZKTXOQSA-N 1 2 324.446 3.061 20 5 DGBDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285464865 433956892 /nfs/dbraw/zinc/95/68/92/433956892.db2.gz AKXIXRLCDCIONL-CQSZACIVSA-N 1 2 302.334 3.013 20 5 DGBDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285464865 433956899 /nfs/dbraw/zinc/95/68/99/433956899.db2.gz AKXIXRLCDCIONL-CQSZACIVSA-N 1 2 302.334 3.013 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294069158 433983157 /nfs/dbraw/zinc/98/31/57/433983157.db2.gz QKLWPPZEKGEYKM-YNDRMARASA-N 1 2 314.385 3.251 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294069158 433983165 /nfs/dbraw/zinc/98/31/65/433983165.db2.gz QKLWPPZEKGEYKM-YNDRMARASA-N 1 2 314.385 3.251 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278795577 293874857 /nfs/dbraw/zinc/87/48/57/293874857.db2.gz QRRYLBZCRLWZKG-LKFCYVNXSA-N 1 2 318.402 3.483 20 5 DGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000378238853 434118342 /nfs/dbraw/zinc/11/83/42/434118342.db2.gz ZNPXQTPALRDWOF-JTQLQIEISA-N 1 2 321.768 3.138 20 5 DGBDLO CCc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000505570314 294242893 /nfs/dbraw/zinc/24/28/93/294242893.db2.gz HYNZKGCIZVWVFA-UHFFFAOYSA-N 1 2 315.373 3.072 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000378493398 434201592 /nfs/dbraw/zinc/20/15/92/434201592.db2.gz VBHBVKBEYLWMTF-CYBMUJFWSA-N 1 2 306.753 3.308 20 5 DGBDLO CC(=O)c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000450485751 434220103 /nfs/dbraw/zinc/22/01/03/434220103.db2.gz OEXSNTCKIBQLEP-UHFFFAOYSA-N 1 2 310.353 3.356 20 5 DGBDLO CC(=O)c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000450485751 434220110 /nfs/dbraw/zinc/22/01/10/434220110.db2.gz OEXSNTCKIBQLEP-UHFFFAOYSA-N 1 2 310.353 3.356 20 5 DGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295175949 434240393 /nfs/dbraw/zinc/24/03/93/434240393.db2.gz PAUBEWFWVCDFAE-UHFFFAOYSA-N 1 2 316.361 3.159 20 5 DGBDLO CCOC(=O)[C@@H](C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000347410870 434265972 /nfs/dbraw/zinc/26/59/72/434265972.db2.gz KMGDALCTKLGLTE-FWPCIQOSSA-N 1 2 318.373 3.024 20 5 DGBDLO CCOC(=O)[C@@H](C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000347410870 434265982 /nfs/dbraw/zinc/26/59/82/434265982.db2.gz KMGDALCTKLGLTE-FWPCIQOSSA-N 1 2 318.373 3.024 20 5 DGBDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c2nccn21 ZINC000295354040 434326123 /nfs/dbraw/zinc/32/61/23/434326123.db2.gz ZBKRZSKOGRPECY-NOZJJQNGSA-N 1 2 306.753 3.240 20 5 DGBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000519571400 294774440 /nfs/dbraw/zinc/77/44/40/294774440.db2.gz HKJZPMPNVIZHBO-GFCCVEGCSA-N 1 2 318.377 3.469 20 5 DGBDLO CC(C)c1nnc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000519611342 294779192 /nfs/dbraw/zinc/77/91/92/294779192.db2.gz LDMLSEWMLUPDMB-LBPRGKRZSA-N 1 2 318.402 3.347 20 5 DGBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000459633798 434641125 /nfs/dbraw/zinc/64/11/25/434641125.db2.gz LXKLCWOQHMPLAZ-QMMMGPOBSA-N 1 2 309.416 3.452 20 5 DGBDLO Cc1ccn2cc(CNc3c(F)cc([N+](=O)[O-])cc3F)[nH+]c2c1 ZINC000440587512 434718940 /nfs/dbraw/zinc/71/89/40/434718940.db2.gz HRWRJJALIZOHGY-UHFFFAOYSA-N 1 2 318.283 3.441 20 5 DGBDLO Cc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(C)[nH+]1 ZINC000446442132 434861751 /nfs/dbraw/zinc/86/17/51/434861751.db2.gz KABTYMGHWQVSEU-UHFFFAOYSA-N 1 2 324.340 3.200 20 5 DGBDLO CC(C)(C)C1=CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000534693103 435295813 /nfs/dbraw/zinc/29/58/13/435295813.db2.gz VMRHDXVJRQGYCV-UHFFFAOYSA-N 1 2 317.389 3.212 20 5 DGBDLO CC(C)(C)C1=CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000534693103 435295819 /nfs/dbraw/zinc/29/58/19/435295819.db2.gz VMRHDXVJRQGYCV-UHFFFAOYSA-N 1 2 317.389 3.212 20 5 DGBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000550337616 435800862 /nfs/dbraw/zinc/80/08/62/435800862.db2.gz VIKYAYMHRRCHQW-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000550337616 435800865 /nfs/dbraw/zinc/80/08/65/435800865.db2.gz VIKYAYMHRRCHQW-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1c(F)cccc1F ZINC000549946500 435785996 /nfs/dbraw/zinc/78/59/96/435785996.db2.gz GPHCQILMJHACEE-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1c(F)cccc1F ZINC000549946500 435786003 /nfs/dbraw/zinc/78/60/03/435786003.db2.gz GPHCQILMJHACEE-UHFFFAOYSA-N 1 2 322.311 3.384 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000572518614 435836240 /nfs/dbraw/zinc/83/62/40/435836240.db2.gz YNCAOXLHOUVMLM-LLVKDONJSA-N 1 2 310.781 3.392 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000572518614 435836243 /nfs/dbraw/zinc/83/62/43/435836243.db2.gz YNCAOXLHOUVMLM-LLVKDONJSA-N 1 2 310.781 3.392 20 5 DGBDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000552056430 435875235 /nfs/dbraw/zinc/87/52/35/435875235.db2.gz CRNYVRZBYWAYLN-UHFFFAOYSA-N 1 2 322.405 3.492 20 5 DGBDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000552056430 435875241 /nfs/dbraw/zinc/87/52/41/435875241.db2.gz CRNYVRZBYWAYLN-UHFFFAOYSA-N 1 2 322.405 3.492 20 5 DGBDLO Cn1cc[nH+]c1[C@@H]1N(c2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000296334825 303001229 /nfs/dbraw/zinc/00/12/29/303001229.db2.gz POFARNPYPMFZKF-ZDUSSCGKSA-N 1 2 322.315 3.194 20 5 DGBDLO Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000185256707 323385765 /nfs/dbraw/zinc/38/57/65/323385765.db2.gz GNDIUWJMZKBJIU-SNVBAGLBSA-N 1 2 303.293 3.180 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2occc2C)c([N+](=O)[O-])cc1OC ZINC000292728439 533790948 /nfs/dbraw/zinc/79/09/48/533790948.db2.gz GBRSZGQEZCBURD-UHFFFAOYSA-N 1 2 320.345 3.145 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2occc2C)c([N+](=O)[O-])cc1OC ZINC000292728439 533790957 /nfs/dbraw/zinc/79/09/57/533790957.db2.gz GBRSZGQEZCBURD-UHFFFAOYSA-N 1 2 320.345 3.145 20 5 DGBDLO COc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000319339629 534059511 /nfs/dbraw/zinc/05/95/11/534059511.db2.gz OHYBQGNFHSTIIP-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000319339629 534059519 /nfs/dbraw/zinc/05/95/19/534059519.db2.gz OHYBQGNFHSTIIP-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO C[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)Cn1cccn1 ZINC000413065611 534099831 /nfs/dbraw/zinc/09/98/31/534099831.db2.gz VDQBNIYRJISLJW-LBPRGKRZSA-N 1 2 311.345 3.088 20 5 DGBDLO Cn1c(CCNc2sccc2[N+](=O)[O-])[nH+]c2ccc(F)cc21 ZINC000301993039 534684615 /nfs/dbraw/zinc/68/46/15/534684615.db2.gz GPFHAOWDUYPMHG-UHFFFAOYSA-N 1 2 320.349 3.337 20 5 DGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nccs3)CC2)cs1 ZINC000331937515 534879622 /nfs/dbraw/zinc/87/96/22/534879622.db2.gz OXFVMMKYJVBABF-UHFFFAOYSA-N 1 2 309.416 3.492 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](COC(F)F)C3)c2c1 ZINC000413290167 534885121 /nfs/dbraw/zinc/88/51/21/534885121.db2.gz IHLWQTFBTZMGNT-JTQLQIEISA-N 1 2 323.299 3.209 20 5 DGBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc([N+](=O)[O-])ccc1Cl ZINC000741740166 574968493 /nfs/dbraw/zinc/96/84/93/574968493.db2.gz NETNECLJXDNHLB-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO Cc1ccc(C(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000747827788 575544351 /nfs/dbraw/zinc/54/43/51/575544351.db2.gz KTWHQACXWYARII-UHFFFAOYSA-N 1 2 321.283 3.228 20 5 DGBDLO Cc1nn(C)c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1Cl ZINC000893279358 618494981 /nfs/dbraw/zinc/49/49/81/618494981.db2.gz NXIKWFOZGXCVQI-SECBINFHSA-N 1 2 308.769 3.141 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(NCc2nc(C[NH+](C)C)cs2)c1 ZINC000895484792 618791897 /nfs/dbraw/zinc/79/18/97/618791897.db2.gz YGVLBEXYYUSFEA-UHFFFAOYSA-N 1 2 306.391 3.033 20 5 DGBDLO C[C@H]1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000922556412 621057194 /nfs/dbraw/zinc/05/71/94/621057194.db2.gz GXHKYNBUVPRZQO-WFASDCNBSA-N 1 2 315.373 3.037 20 5 DGBDLO C[C@H]1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000922556412 621057196 /nfs/dbraw/zinc/05/71/96/621057196.db2.gz GXHKYNBUVPRZQO-WFASDCNBSA-N 1 2 315.373 3.037 20 5 DGBDLO CCc1onc(C)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000922989103 621144409 /nfs/dbraw/zinc/14/44/09/621144409.db2.gz ZBERZPGYRHQKAM-UHFFFAOYSA-N 1 2 309.753 3.397 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCn2c[nH+]cc2C1 ZINC000865817707 622000426 /nfs/dbraw/zinc/00/04/26/622000426.db2.gz FPILAOJINLLHTM-UHFFFAOYSA-N 1 2 313.144 3.118 20 5 DGBDLO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000763241641 622132397 /nfs/dbraw/zinc/13/23/97/622132397.db2.gz PHEBAFYXBWKEQI-INIZCTEOSA-N 1 2 300.362 3.004 20 5 DGBDLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000763241641 622132398 /nfs/dbraw/zinc/13/23/98/622132398.db2.gz PHEBAFYXBWKEQI-INIZCTEOSA-N 1 2 300.362 3.004 20 5 DGBDLO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000866561880 622138396 /nfs/dbraw/zinc/13/83/96/622138396.db2.gz AOKHBSGCLKOLKY-SECBINFHSA-N 1 2 310.304 3.117 20 5 DGBDLO COCc1cc[nH+]c(NCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000871863905 622721545 /nfs/dbraw/zinc/72/15/45/622721545.db2.gz IMDDXRXKYQGOBN-UHFFFAOYSA-N 1 2 301.346 3.365 20 5 DGBDLO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872022639 622756755 /nfs/dbraw/zinc/75/67/55/622756755.db2.gz KJFSGEVKLYQJFH-NSHDSACASA-N 1 2 318.352 3.046 20 5 DGBDLO C[C@H]([NH2+]Cc1ccccc1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872028729 622760950 /nfs/dbraw/zinc/76/09/50/622760950.db2.gz SMUDEQSDRTVEQO-NSHDSACASA-N 1 2 304.321 3.077 20 5 DGBDLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045226 622772630 /nfs/dbraw/zinc/77/26/30/622772630.db2.gz KEALAYOAMMFZEK-YGRLFVJLSA-N 1 2 322.311 3.257 20 5 DGBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000872080230 622793688 /nfs/dbraw/zinc/79/36/88/622793688.db2.gz UNNBGTLLGVYWNK-MNOVXSKESA-N 1 2 320.418 3.462 20 5 DGBDLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872095991 622804344 /nfs/dbraw/zinc/80/43/44/622804344.db2.gz XJSQTQSHUIHCQU-CMPLNLGQSA-N 1 2 304.325 3.116 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872262197 622871946 /nfs/dbraw/zinc/87/19/46/622871946.db2.gz SPHYSVWTPJRQJM-MRXNPFEDSA-N 1 2 320.389 3.224 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872262197 622871951 /nfs/dbraw/zinc/87/19/51/622871951.db2.gz SPHYSVWTPJRQJM-MRXNPFEDSA-N 1 2 320.389 3.224 20 5 DGBDLO CC1(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000778673119 623681091 /nfs/dbraw/zinc/68/10/91/623681091.db2.gz XYDGBILKMFRLOX-UHFFFAOYSA-N 1 2 315.329 3.270 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000877087180 623788129 /nfs/dbraw/zinc/78/81/29/623788129.db2.gz HFGAKQFGXIRDFK-UHFFFAOYSA-N 1 2 307.737 3.403 20 5 DGBDLO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])oc1C ZINC000877827598 624059292 /nfs/dbraw/zinc/05/92/92/624059292.db2.gz DPWRKISVSADTCF-SNVBAGLBSA-N 1 2 318.329 3.134 20 5 DGBDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000782306163 624236833 /nfs/dbraw/zinc/23/68/33/624236833.db2.gz VNVNGHFPBNEAAP-UHFFFAOYSA-N 1 2 305.721 3.295 20 5 DGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cn2ccccc2[nH+]1 ZINC000786581194 624926488 /nfs/dbraw/zinc/92/64/88/624926488.db2.gz NWMXFQYPQNMUBG-UHFFFAOYSA-N 1 2 324.340 3.100 20 5 DGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000798262399 626206424 /nfs/dbraw/zinc/20/64/24/626206424.db2.gz LTZSOBMQYDJXFY-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO Cc1cc(Cl)nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000800284426 626348392 /nfs/dbraw/zinc/34/83/92/626348392.db2.gz GGTMZXNFYWSRSC-UHFFFAOYSA-N 1 2 309.728 3.381 20 5 DGBDLO Nc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000800845661 626378605 /nfs/dbraw/zinc/37/86/05/626378605.db2.gz DLLUOTSPFZOHEA-UHFFFAOYSA-N 1 2 313.361 3.306 20 5 DGBDLO CCOc1cc(CO[NH+]=C(N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000809990658 626965984 /nfs/dbraw/zinc/96/59/84/626965984.db2.gz AMXNVGAZADJUKP-UHFFFAOYSA-N 1 2 315.329 3.040 20 5 DGBDLO COc1ccc(C[N@H+](Cc2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000885932865 627063675 /nfs/dbraw/zinc/06/36/75/627063675.db2.gz CTOBUQUHCKHHPA-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1ccc(C[N@@H+](Cc2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000885932865 627063677 /nfs/dbraw/zinc/06/36/77/627063677.db2.gz CTOBUQUHCKHHPA-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO CCc1nc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)co1 ZINC000834897379 629801302 /nfs/dbraw/zinc/80/13/02/629801302.db2.gz GAFZESVWWQCJDP-OAHLLOKOSA-N 1 2 301.346 3.312 20 5 DGBDLO C[C@@H]1CSCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000934299125 655765630 /nfs/dbraw/zinc/76/56/30/655765630.db2.gz RRIUQQYTCXIONR-SECBINFHSA-N 1 2 302.346 3.200 20 5 DGBDLO C[C@@H]1CSCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000934299125 655765631 /nfs/dbraw/zinc/76/56/31/655765631.db2.gz RRIUQQYTCXIONR-SECBINFHSA-N 1 2 302.346 3.200 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)ccn12 ZINC001357803844 1181428947 /nfs/dbraw/zinc/42/89/47/1181428947.db2.gz UCDGPNZTRJOCOB-GFCCVEGCSA-N 1 2 324.340 3.042 20 5 DGBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)n1cc[nH+]c1 ZINC001435040476 1181786263 /nfs/dbraw/zinc/78/62/63/1181786263.db2.gz PZFSWSCBJLLTCB-VIFPVBQESA-N 1 2 308.725 3.035 20 5 DGBDLO CCc1cc(NCCc2ccccc2[N+](=O)[O-])nc(CC)[nH+]1 ZINC001458358547 1182518049 /nfs/dbraw/zinc/51/80/49/1182518049.db2.gz IFAOBSVWKPQYDN-UHFFFAOYSA-N 1 2 300.362 3.164 20 5 DGBDLO C[C@@H]([NH2+]Cc1ccc(O)c(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001474695711 1183963108 /nfs/dbraw/zinc/96/31/08/1183963108.db2.gz RLIUHGLACJZEAG-SECBINFHSA-N 1 2 308.284 3.429 20 5 DGBDLO O=[N+]([O-])c1cccc2c(N3CCC(c4c[nH]c[nH+]4)CC3)ccnc21 ZINC001515548618 1186762610 /nfs/dbraw/zinc/76/26/10/1186762610.db2.gz MLKWMCSPBAPYHF-UHFFFAOYSA-N 1 2 323.356 3.250 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001559665042 1189228585 /nfs/dbraw/zinc/22/85/85/1189228585.db2.gz BKDUIWGYRLHPFW-MNOVXSKESA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001559665042 1189228588 /nfs/dbraw/zinc/22/85/88/1189228588.db2.gz BKDUIWGYRLHPFW-MNOVXSKESA-N 1 2 302.708 3.335 20 5 DGBDLO CCOc1cc(C[NH+]2C[C@@H](CC)O[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC001559925316 1189257634 /nfs/dbraw/zinc/25/76/34/1189257634.db2.gz QDMOTFNQVIIIHO-HUUCEWRRSA-N 1 2 322.405 3.383 20 5 DGBDLO Cc1ccc([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cc1[N+](=O)[O-] ZINC001630156172 1194272091 /nfs/dbraw/zinc/27/20/91/1194272091.db2.gz DUNANANKKGUVKB-NSHDSACASA-N 1 2 324.340 3.271 20 5 DGBDLO O=[N+]([O-])c1ccc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)nc1 ZINC001640320964 1194806609 /nfs/dbraw/zinc/80/66/09/1194806609.db2.gz UAMNAQGRDXJWQO-OAHLLOKOSA-N 1 2 309.329 3.040 20 5 DGBDLO CCC(=O)c1ccc(NCc2c[nH+]c(CC)[nH]2)c([N+](=O)[O-])c1 ZINC001640465127 1194814947 /nfs/dbraw/zinc/81/49/47/1194814947.db2.gz PYINDBLZCXUMEI-UHFFFAOYSA-N 1 2 302.334 3.085 20 5 DGBDLO CCC(=O)c1ccc(NCc2c[nH]c(CC)[nH+]2)c([N+](=O)[O-])c1 ZINC001640465127 1194814950 /nfs/dbraw/zinc/81/49/50/1194814950.db2.gz PYINDBLZCXUMEI-UHFFFAOYSA-N 1 2 302.334 3.085 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2nc3cc(F)ccc3o2)cc1[N+](=O)[O-] ZINC001651445464 1195463316 /nfs/dbraw/zinc/46/33/16/1195463316.db2.gz IGYUBWHEXZZGAL-UHFFFAOYSA-N 1 2 315.304 3.473 20 5 DGBDLO Cc1nnc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C)o1 ZINC001652750535 1195646548 /nfs/dbraw/zinc/64/65/48/1195646548.db2.gz XYTSSVJBJJOGLO-UHFFFAOYSA-N 1 2 304.350 3.087 20 5 DGBDLO Cc1nnc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C)o1 ZINC001652750535 1195646550 /nfs/dbraw/zinc/64/65/50/1195646550.db2.gz XYTSSVJBJJOGLO-UHFFFAOYSA-N 1 2 304.350 3.087 20 5 DGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(F)c1 ZINC001664311032 1196988444 /nfs/dbraw/zinc/98/84/44/1196988444.db2.gz SPQWFCKHBWFBNL-HNNXBMFYSA-N 1 2 320.295 3.486 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)cc(NCc2c[nH+]cn2CC2CCC2)n1 ZINC001161531039 1089273483 /nfs/dbraw/zinc/27/34/83/1089273483.db2.gz FMHXTEHJSLXWJJ-UHFFFAOYSA-N 1 2 321.768 3.252 20 5 DGBDLO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCCCn1cc[nH+]c1 ZINC001161688661 1089347700 /nfs/dbraw/zinc/34/77/00/1089347700.db2.gz YTOSGUUTJQFKCA-XBXARRHUSA-N 1 2 306.753 3.286 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCCn1cc[nH+]c1 ZINC001161964684 1089495120 /nfs/dbraw/zinc/49/51/20/1089495120.db2.gz MELPVVNTBPDRJF-UHFFFAOYSA-N 1 2 301.133 3.210 20 5 DGBDLO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1 ZINC001163455582 1090190951 /nfs/dbraw/zinc/19/09/51/1090190951.db2.gz DRUAJRKFTWOPHG-UHFFFAOYSA-N 1 2 323.356 3.045 20 5 DGBDLO COc1cc(C)[nH+]c(CSCc2cccnc2[N+](=O)[O-])c1 ZINC001119539367 1091546601 /nfs/dbraw/zinc/54/66/01/1091546601.db2.gz RQCWHVFQNLAWGE-UHFFFAOYSA-N 1 2 305.359 3.135 20 5 DGBDLO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001210444094 1093167287 /nfs/dbraw/zinc/16/72/87/1093167287.db2.gz DTAJKSXHUZWKEI-UHFFFAOYSA-N 1 2 314.345 3.342 20 5 DGBDLO Cc1[nH]c(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[nH+]c1C ZINC001336710918 1094706426 /nfs/dbraw/zinc/70/64/26/1094706426.db2.gz KTBANFJNVHTHCE-UHFFFAOYSA-N 1 2 312.276 3.148 20 5 DGBDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001122584031 1095010870 /nfs/dbraw/zinc/01/08/70/1095010870.db2.gz GWEZTJPOHOMCLO-GFCCVEGCSA-N 1 2 312.753 3.026 20 5 DGBDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001122584031 1095010885 /nfs/dbraw/zinc/01/08/85/1095010885.db2.gz GWEZTJPOHOMCLO-GFCCVEGCSA-N 1 2 312.753 3.026 20 5 DGBDLO CC(C)(C)[NH+]1CC(Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227155454 1096882166 /nfs/dbraw/zinc/88/21/66/1096882166.db2.gz ZRTRUYRKYQXHRK-UHFFFAOYSA-N 1 2 302.733 3.249 20 5 DGBDLO Cc1cc(OC2C[NH+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC001230471992 1097495335 /nfs/dbraw/zinc/49/53/35/1097495335.db2.gz XMEQSSCJKVKKEZ-UHFFFAOYSA-N 1 2 312.369 3.475 20 5 DGBDLO O=[N+]([O-])c1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001174478511 1097740051 /nfs/dbraw/zinc/74/00/51/1097740051.db2.gz MDGRYCPOAZOOKR-UHFFFAOYSA-N 1 2 313.357 3.171 20 5 DGBDLO C[N@H+](Cc1ccno1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232227654 1097974609 /nfs/dbraw/zinc/97/46/09/1097974609.db2.gz KAPLRSZPPDYFPX-UHFFFAOYSA-N 1 2 304.353 3.403 20 5 DGBDLO C[N@@H+](Cc1ccno1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232227654 1097974612 /nfs/dbraw/zinc/97/46/12/1097974612.db2.gz KAPLRSZPPDYFPX-UHFFFAOYSA-N 1 2 304.353 3.403 20 5 DGBDLO C[N@@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC001307155444 1111272654 /nfs/dbraw/zinc/27/26/54/1111272654.db2.gz SATJKRIBLCGBHX-UHFFFAOYSA-N 1 2 318.204 3.432 20 5 DGBDLO C[N@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC001307155444 1111272656 /nfs/dbraw/zinc/27/26/56/1111272656.db2.gz SATJKRIBLCGBHX-UHFFFAOYSA-N 1 2 318.204 3.432 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000088605326 185259809 /nfs/dbraw/zinc/25/98/09/185259809.db2.gz VYOZFVUTSYRRSV-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc(F)c1F)CC2 ZINC000088605326 185259810 /nfs/dbraw/zinc/25/98/10/185259810.db2.gz VYOZFVUTSYRRSV-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO CN(CC[C@H]1CCCO1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413255074 529932117 /nfs/dbraw/zinc/93/21/17/529932117.db2.gz FTUNVOFHUBNPIK-CQSZACIVSA-N 1 2 301.346 3.148 20 5 DGBDLO CN(C[C@H]1CCCOC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413139584 529968457 /nfs/dbraw/zinc/96/84/57/529968457.db2.gz QXXMQQSVTCNWCY-GFCCVEGCSA-N 1 2 301.346 3.006 20 5 DGBDLO Cc1nnc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278795581 282340309 /nfs/dbraw/zinc/34/03/09/282340309.db2.gz QRRYLBZCRLWZKG-XPTSAGLGSA-N 1 2 318.402 3.483 20 5 DGBDLO Cn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C(C)(C)C)n1 ZINC000179694480 186207053 /nfs/dbraw/zinc/20/70/53/186207053.db2.gz XXKZBSSYUCDTRA-UHFFFAOYSA-N 1 2 316.405 3.258 20 5 DGBDLO Cn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C(C)(C)C)n1 ZINC000179694480 186207055 /nfs/dbraw/zinc/20/70/55/186207055.db2.gz XXKZBSSYUCDTRA-UHFFFAOYSA-N 1 2 316.405 3.258 20 5 DGBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000277153200 213331071 /nfs/dbraw/zinc/33/10/71/213331071.db2.gz GAVAAHRBEVXVHE-JQWIXIFHSA-N 1 2 317.393 3.386 20 5 DGBDLO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000182127414 199389901 /nfs/dbraw/zinc/38/99/01/199389901.db2.gz LIRQJGXIRHUZQM-OAHLLOKOSA-N 1 2 320.780 3.319 20 5 DGBDLO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000182127414 199389903 /nfs/dbraw/zinc/38/99/03/199389903.db2.gz LIRQJGXIRHUZQM-OAHLLOKOSA-N 1 2 320.780 3.319 20 5 DGBDLO CCOc1cc(C[NH2+][C@@H](COC)c2ccco2)ccc1[N+](=O)[O-] ZINC000276981001 213216169 /nfs/dbraw/zinc/21/61/69/213216169.db2.gz YJFDYJVAFSEGNC-ZDUSSCGKSA-N 1 2 320.345 3.064 20 5 DGBDLO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316959 432054220 /nfs/dbraw/zinc/05/42/20/432054220.db2.gz GJDWZPMXXMWAIM-UHFFFAOYSA-N 1 2 316.405 3.085 20 5 DGBDLO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316959 432054222 /nfs/dbraw/zinc/05/42/22/432054222.db2.gz GJDWZPMXXMWAIM-UHFFFAOYSA-N 1 2 316.405 3.085 20 5 DGBDLO COc1ccc(C[NH2+][C@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000134909095 432089371 /nfs/dbraw/zinc/08/93/71/432089371.db2.gz IVMSKNKIGQERLV-SNVBAGLBSA-N 1 2 307.375 3.219 20 5 DGBDLO C/C=C\C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000449288311 240110003 /nfs/dbraw/zinc/11/00/03/240110003.db2.gz ZIEGYYIDLSUTMT-CWNOIDMWSA-N 1 2 320.389 3.013 20 5 DGBDLO CC(C)c1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000449405611 240182564 /nfs/dbraw/zinc/18/25/64/240182564.db2.gz MOPRXGAJUWNJER-UHFFFAOYSA-N 1 2 315.377 3.004 20 5 DGBDLO CCn1cc([C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000451888471 241267902 /nfs/dbraw/zinc/26/79/02/241267902.db2.gz JGRDGGUYWFHUHC-SNVBAGLBSA-N 1 2 308.769 3.315 20 5 DGBDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093535830 284013204 /nfs/dbraw/zinc/01/32/04/284013204.db2.gz NXLTXPQIDFYFTI-WHWKNOJMSA-N 1 2 318.373 3.024 20 5 DGBDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093535830 284013207 /nfs/dbraw/zinc/01/32/07/284013207.db2.gz NXLTXPQIDFYFTI-WHWKNOJMSA-N 1 2 318.373 3.024 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000093841263 193315586 /nfs/dbraw/zinc/31/55/86/193315586.db2.gz NJVKDEGTCVTYGB-ZNNBYXKUSA-N 1 2 314.341 3.275 20 5 DGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000093841263 193315587 /nfs/dbraw/zinc/31/55/87/193315587.db2.gz NJVKDEGTCVTYGB-ZNNBYXKUSA-N 1 2 314.341 3.275 20 5 DGBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000126088625 284293335 /nfs/dbraw/zinc/29/33/35/284293335.db2.gz WIJKGBPKAQYNHH-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000126088625 284293337 /nfs/dbraw/zinc/29/33/37/284293337.db2.gz WIJKGBPKAQYNHH-SFHVURJKSA-N 1 2 312.369 3.477 20 5 DGBDLO CCOc1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000271806158 209232712 /nfs/dbraw/zinc/23/27/12/209232712.db2.gz QIYSSJFQDPKLPU-JTQLQIEISA-N 1 2 322.390 3.004 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)ccc1O ZINC000267362497 206013440 /nfs/dbraw/zinc/01/34/40/206013440.db2.gz IMZWRFIPVFVYLX-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)ccc1O ZINC000267362497 206013445 /nfs/dbraw/zinc/01/34/45/206013445.db2.gz IMZWRFIPVFVYLX-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO CO[C@H](C)c1nc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cs1 ZINC000267638910 206187682 /nfs/dbraw/zinc/18/76/82/206187682.db2.gz QLTCWOWKZCWAQF-MRVPVSSYSA-N 1 2 313.404 3.110 20 5 DGBDLO COC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000181686254 432141580 /nfs/dbraw/zinc/14/15/80/432141580.db2.gz INLFWFYTIWTLFK-OAHLLOKOSA-N 1 2 304.321 3.211 20 5 DGBDLO CC(C)c1noc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285331424 218384741 /nfs/dbraw/zinc/38/47/41/218384741.db2.gz NWZBWSCTCLBFKP-GFCCVEGCSA-N 1 2 318.377 3.337 20 5 DGBDLO CC(C)c1noc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285331424 218384743 /nfs/dbraw/zinc/38/47/43/218384743.db2.gz NWZBWSCTCLBFKP-GFCCVEGCSA-N 1 2 318.377 3.337 20 5 DGBDLO CCCCOC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339011631 253389311 /nfs/dbraw/zinc/38/93/11/253389311.db2.gz VTOZQOLZJBOFSB-UHFFFAOYSA-N 1 2 308.378 3.082 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000339041515 253395626 /nfs/dbraw/zinc/39/56/26/253395626.db2.gz WKXFCDILGRRFTH-UHFFFAOYSA-N 1 2 319.386 3.316 20 5 DGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000190783225 285160908 /nfs/dbraw/zinc/16/09/08/285160908.db2.gz FDIOYJOEGXKFMI-UHFFFAOYSA-N 1 2 308.341 3.070 20 5 DGBDLO O=[N+]([O-])c1cccc(F)c1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000342784348 254049574 /nfs/dbraw/zinc/04/95/74/254049574.db2.gz JBWQDRRJIMPYTH-UHFFFAOYSA-N 1 2 318.283 3.404 20 5 DGBDLO Cc1cccc(CCCNc2ncc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000343230555 254118461 /nfs/dbraw/zinc/11/84/61/254118461.db2.gz VOKZFACYKPOVHI-UHFFFAOYSA-N 1 2 306.753 3.391 20 5 DGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1[C@@H]1CCCO1 ZINC000289922940 221318492 /nfs/dbraw/zinc/31/84/92/221318492.db2.gz UUYWEGCEXLGJAL-GJZGRUSLSA-N 1 2 308.353 3.123 20 5 DGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1[C@@H]1CCCO1 ZINC000289922940 221318495 /nfs/dbraw/zinc/31/84/95/221318495.db2.gz UUYWEGCEXLGJAL-GJZGRUSLSA-N 1 2 308.353 3.123 20 5 DGBDLO Cc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000121587084 195310793 /nfs/dbraw/zinc/31/07/93/195310793.db2.gz WGGBYGDUECQBGZ-UHFFFAOYSA-N 1 2 315.329 3.014 20 5 DGBDLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1 ZINC000121938913 195377969 /nfs/dbraw/zinc/37/79/69/195377969.db2.gz SZYMLBLKBGIUQW-UHFFFAOYSA-N 1 2 322.324 3.341 20 5 DGBDLO Cn1c[nH+]cc1CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000357601741 285800848 /nfs/dbraw/zinc/80/08/48/285800848.db2.gz ZOHGROADLLOFEQ-UHFFFAOYSA-N 1 2 301.133 3.247 20 5 DGBDLO CN(C)c1ccc(CSCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000600530667 400088035 /nfs/dbraw/zinc/08/80/35/400088035.db2.gz BXPZOLSMOLHPFS-UHFFFAOYSA-N 1 2 303.387 3.489 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000595051239 400090159 /nfs/dbraw/zinc/09/01/59/400090159.db2.gz LXPISVGOGZZYDX-UHIISALHSA-N 1 2 316.361 3.157 20 5 DGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000595051236 400090418 /nfs/dbraw/zinc/09/04/18/400090418.db2.gz LXPISVGOGZZYDX-COPLHBTASA-N 1 2 316.361 3.157 20 5 DGBDLO Cn1ccnc1[C@@H]([NH2+]CC1=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595094094 400103877 /nfs/dbraw/zinc/10/38/77/400103877.db2.gz CJUXMUIREHQRLC-INIZCTEOSA-N 1 2 312.373 3.118 20 5 DGBDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595291839 400119111 /nfs/dbraw/zinc/11/91/11/400119111.db2.gz VITGDOFFVQKQMT-NSHDSACASA-N 1 2 307.375 3.462 20 5 DGBDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595291839 400119113 /nfs/dbraw/zinc/11/91/13/400119113.db2.gz VITGDOFFVQKQMT-NSHDSACASA-N 1 2 307.375 3.462 20 5 DGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccsc1 ZINC000007927064 400114221 /nfs/dbraw/zinc/11/42/21/400114221.db2.gz ZADSSVAEHUIVEQ-NSHDSACASA-N 1 2 319.386 3.115 20 5 DGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccsc1 ZINC000007927064 400114231 /nfs/dbraw/zinc/11/42/31/400114231.db2.gz ZADSSVAEHUIVEQ-NSHDSACASA-N 1 2 319.386 3.115 20 5 DGBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ncc[nH]1 ZINC000287378419 400082543 /nfs/dbraw/zinc/08/25/43/400082543.db2.gz IAUVBLKQNXIVPM-QMMMGPOBSA-N 1 2 314.267 3.188 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000595348113 400132663 /nfs/dbraw/zinc/13/26/63/400132663.db2.gz ZJRCSBMNFROOMW-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000595348113 400132666 /nfs/dbraw/zinc/13/26/66/400132666.db2.gz ZJRCSBMNFROOMW-HNNXBMFYSA-N 1 2 301.321 3.466 20 5 DGBDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595407868 400140844 /nfs/dbraw/zinc/14/08/44/400140844.db2.gz GCBOSJHQDMAFPJ-SNVBAGLBSA-N 1 2 305.334 3.059 20 5 DGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595412459 400142807 /nfs/dbraw/zinc/14/28/07/400142807.db2.gz ZXAIAZJZGSWVEM-JTQLQIEISA-N 1 2 305.334 3.141 20 5 DGBDLO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1cc(F)ccc1F ZINC000595419082 400144479 /nfs/dbraw/zinc/14/44/79/400144479.db2.gz XECYUYANLZGWNG-GFCCVEGCSA-N 1 2 311.288 3.410 20 5 DGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(Cl)o3)CC2)c1 ZINC000092047758 400149064 /nfs/dbraw/zinc/14/90/64/400149064.db2.gz RHKJOXXNYNPBCW-UHFFFAOYSA-N 1 2 321.764 3.163 20 5 DGBDLO COC(=O)c1ccc(-c2ccc(NC(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000600786672 400152957 /nfs/dbraw/zinc/15/29/57/400152957.db2.gz QYXSKGZLWGIZIG-UHFFFAOYSA-N 1 2 315.329 3.264 20 5 DGBDLO Cc1noc(C[N@@H+]2CC[C@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000595474965 400162537 /nfs/dbraw/zinc/16/25/37/400162537.db2.gz HIYRWXOLLLKXKG-MRXNPFEDSA-N 1 2 319.336 3.270 20 5 DGBDLO Cc1noc(C[N@H+]2CC[C@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000595474965 400162539 /nfs/dbraw/zinc/16/25/39/400162539.db2.gz HIYRWXOLLLKXKG-MRXNPFEDSA-N 1 2 319.336 3.270 20 5 DGBDLO Cc1noc(C[NH2+]C2(c3cccc(C)c3)CCC2)c1[N+](=O)[O-] ZINC000595560370 400188009 /nfs/dbraw/zinc/18/80/09/400188009.db2.gz BDUYWEFNBKOVME-UHFFFAOYSA-N 1 2 301.346 3.369 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000595488840 400166517 /nfs/dbraw/zinc/16/65/17/400166517.db2.gz DMOPYBMOSPSAJJ-CYBMUJFWSA-N 1 2 324.743 3.031 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000595488840 400166520 /nfs/dbraw/zinc/16/65/20/400166520.db2.gz DMOPYBMOSPSAJJ-CYBMUJFWSA-N 1 2 324.743 3.031 20 5 DGBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000595569258 400191298 /nfs/dbraw/zinc/19/12/98/400191298.db2.gz QFMIIYKXCJFTCI-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000595569258 400191303 /nfs/dbraw/zinc/19/13/03/400191303.db2.gz QFMIIYKXCJFTCI-GFCCVEGCSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595814980 400267955 /nfs/dbraw/zinc/26/79/55/400267955.db2.gz KGEQTQXFGJJMJF-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595814980 400267962 /nfs/dbraw/zinc/26/79/62/400267962.db2.gz KGEQTQXFGJJMJF-LBPRGKRZSA-N 1 2 308.353 3.267 20 5 DGBDLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000595866494 400283832 /nfs/dbraw/zinc/28/38/32/400283832.db2.gz HZYALEILNXLSPB-BONVTDFDSA-N 1 2 322.311 3.257 20 5 DGBDLO CCOC(=O)C1([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000610788377 400306094 /nfs/dbraw/zinc/30/60/94/400306094.db2.gz PJQKKWLINDXQQR-UHFFFAOYSA-N 1 2 320.389 3.293 20 5 DGBDLO CCOC(=O)C1([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000610788377 400306098 /nfs/dbraw/zinc/30/60/98/400306098.db2.gz PJQKKWLINDXQQR-UHFFFAOYSA-N 1 2 320.389 3.293 20 5 DGBDLO O=[N+]([O-])c1cncc(Cl)c1Sc1[nH+]cc2ccccn21 ZINC000589103346 400260156 /nfs/dbraw/zinc/26/01/56/400260156.db2.gz IUJIKXBCYGFIAP-UHFFFAOYSA-N 1 2 306.734 3.442 20 5 DGBDLO CCc1nnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000590020174 400348020 /nfs/dbraw/zinc/34/80/20/400348020.db2.gz FZGRZWDKFITMPJ-UHFFFAOYSA-N 1 2 306.391 3.034 20 5 DGBDLO COC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000611153900 400351554 /nfs/dbraw/zinc/35/15/54/400351554.db2.gz NPAPMGVJVBCGMZ-UHFFFAOYSA-N 1 2 324.352 3.042 20 5 DGBDLO COC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000611153900 400351557 /nfs/dbraw/zinc/35/15/57/400351557.db2.gz NPAPMGVJVBCGMZ-UHFFFAOYSA-N 1 2 324.352 3.042 20 5 DGBDLO O=[N+]([O-])c1cccc(OCCSc2[nH+]cc3ccccn32)c1 ZINC000071918004 400373649 /nfs/dbraw/zinc/37/36/49/400373649.db2.gz HUMLNSSOINQKLK-UHFFFAOYSA-N 1 2 315.354 3.414 20 5 DGBDLO C[C@]1(C(F)F)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000596573019 400448227 /nfs/dbraw/zinc/44/82/27/400448227.db2.gz JLYLFIHOWHSJMW-OAHLLOKOSA-N 1 2 323.299 3.003 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](c4cc[nH]n4)C3)c2c1 ZINC000591139861 400491720 /nfs/dbraw/zinc/49/17/20/400491720.db2.gz BIYBZSHOPXAKNJ-CYBMUJFWSA-N 1 2 323.356 3.250 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC4(C3)CCOCC4)c2c1 ZINC000591148366 400492933 /nfs/dbraw/zinc/49/29/33/400492933.db2.gz BIFAZYGXQIAVLD-UHFFFAOYSA-N 1 2 313.357 3.150 20 5 DGBDLO COc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000592187724 400621105 /nfs/dbraw/zinc/62/11/05/400621105.db2.gz KXVSRRYMFBUHKP-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1ccc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000592187724 400621110 /nfs/dbraw/zinc/62/11/10/400621110.db2.gz KXVSRRYMFBUHKP-CYBMUJFWSA-N 1 2 320.389 3.137 20 5 DGBDLO COc1c(C)c[nH+]c(COc2ccc([N+](=O)[O-])cc2F)c1C ZINC000076423865 400653930 /nfs/dbraw/zinc/65/39/30/400653930.db2.gz KFCHHUNQQJDITM-UHFFFAOYSA-N 1 2 306.293 3.333 20 5 DGBDLO CC[C@@H](C)N(CC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597858752 400681586 /nfs/dbraw/zinc/68/15/86/400681586.db2.gz VOVODIFBHHEGJM-GFCCVEGCSA-N 1 2 316.361 3.041 20 5 DGBDLO CC[N@H+](Cc1ccoc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000613377898 400706701 /nfs/dbraw/zinc/70/67/01/400706701.db2.gz MGHDRKMDRVRIOF-UHFFFAOYSA-N 1 2 308.309 3.358 20 5 DGBDLO CC[N@@H+](Cc1ccoc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000613377898 400706704 /nfs/dbraw/zinc/70/67/04/400706704.db2.gz MGHDRKMDRVRIOF-UHFFFAOYSA-N 1 2 308.309 3.358 20 5 DGBDLO COc1ccc(C[N@H+](C)Cc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000052101518 400717024 /nfs/dbraw/zinc/71/70/24/400717024.db2.gz ACCFNEDXGXDCJJ-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO COc1ccc(C[N@@H+](C)Cc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000052101518 400717035 /nfs/dbraw/zinc/71/70/35/400717035.db2.gz ACCFNEDXGXDCJJ-UHFFFAOYSA-N 1 2 307.375 3.000 20 5 DGBDLO CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000593146300 400775379 /nfs/dbraw/zinc/77/53/79/400775379.db2.gz LCRKRKGSQDBOAM-CYBMUJFWSA-N 1 2 316.361 3.186 20 5 DGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000604484713 400779242 /nfs/dbraw/zinc/77/92/42/400779242.db2.gz DSLURIRSQFDTBA-UHFFFAOYSA-N 1 2 308.297 3.237 20 5 DGBDLO CCCN(C(=O)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000619662683 400879815 /nfs/dbraw/zinc/87/98/15/400879815.db2.gz AJVPXAXFQZRFHV-UHFFFAOYSA-N 1 2 316.361 3.015 20 5 DGBDLO COCC1(C)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599061799 400944601 /nfs/dbraw/zinc/94/46/01/400944601.db2.gz GIZGQKPYHBRKJY-UHFFFAOYSA-N 1 2 315.373 3.396 20 5 DGBDLO CO[C@H]1CCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599062908 400945030 /nfs/dbraw/zinc/94/50/30/400945030.db2.gz SPRNSPGDURAOIF-WFASDCNBSA-N 1 2 301.346 3.370 20 5 DGBDLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000599166493 400983932 /nfs/dbraw/zinc/98/39/32/400983932.db2.gz YTLXZNPXZCJOKS-KIGUWFBYSA-N 1 2 301.346 3.367 20 5 DGBDLO C[C@@]1(C2CC2)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599099505 400960125 /nfs/dbraw/zinc/96/01/25/400960125.db2.gz YADFRNFHGRPPKA-KRWDZBQOSA-N 1 2 313.357 3.148 20 5 DGBDLO C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599107655 400961081 /nfs/dbraw/zinc/96/10/81/400961081.db2.gz QOVVCNZLGVKGAP-NEPJUHHUSA-N 1 2 301.346 3.147 20 5 DGBDLO C[C@@]12COC[C@]1(C)CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C2 ZINC000599106660 400961163 /nfs/dbraw/zinc/96/11/63/400961163.db2.gz GEXWCMBQUZHXMI-CALCHBBNSA-N 1 2 313.357 3.006 20 5 DGBDLO O=[N+]([O-])c1c(NCC(F)(F)C(F)F)ccc2c[nH+]ccc21 ZINC000599112573 400962944 /nfs/dbraw/zinc/96/29/44/400962944.db2.gz OSNCKCRJWQROLH-UHFFFAOYSA-N 1 2 303.215 3.455 20 5 DGBDLO CN(CC1=CCSC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599111751 400963656 /nfs/dbraw/zinc/96/36/56/400963656.db2.gz RXMWIFRXEFFODX-UHFFFAOYSA-N 1 2 301.371 3.252 20 5 DGBDLO O=[N+]([O-])c1cc(F)ccc1NCCCCNc1cccc[nH+]1 ZINC000060369826 401111022 /nfs/dbraw/zinc/11/10/22/401111022.db2.gz VOQWJUXLPIMRNT-UHFFFAOYSA-N 1 2 304.325 3.433 20 5 DGBDLO COc1cc(NCCc2[nH+]cc(C)cc2C)ccc1[N+](=O)[O-] ZINC000594596142 401122188 /nfs/dbraw/zinc/12/21/88/401122188.db2.gz NDICDGHWFMZWEP-UHFFFAOYSA-N 1 2 301.346 3.270 20 5 DGBDLO Cc1c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cccc1[N+](=O)[O-] ZINC000599618978 401092208 /nfs/dbraw/zinc/09/22/08/401092208.db2.gz QSDITSYLDZUVAK-UHFFFAOYSA-N 1 2 324.384 3.129 20 5 DGBDLO Cc1c(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cccc1[N+](=O)[O-] ZINC000599618978 401092212 /nfs/dbraw/zinc/09/22/12/401092212.db2.gz QSDITSYLDZUVAK-UHFFFAOYSA-N 1 2 324.384 3.129 20 5 DGBDLO COc1cc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000599629198 401095161 /nfs/dbraw/zinc/09/51/61/401095161.db2.gz YDEKMLMHECXXOC-VIFPVBQESA-N 1 2 318.295 3.362 20 5 DGBDLO COc1cc(C[N@H+]2CCC(F)(F)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000599629198 401095166 /nfs/dbraw/zinc/09/51/66/401095166.db2.gz YDEKMLMHECXXOC-VIFPVBQESA-N 1 2 318.295 3.362 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2ncccc2F)cc1[N+](=O)[O-] ZINC000090720912 401272737 /nfs/dbraw/zinc/27/27/37/401272737.db2.gz LBLGYXJECYJTDX-LLVKDONJSA-N 1 2 319.336 3.378 20 5 DGBDLO COc1ccc2c(c1)C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000065164666 401258443 /nfs/dbraw/zinc/25/84/43/401258443.db2.gz XWHUDGLRIQPJDL-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO COc1ccc2c(c1)C[N@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000065164666 401258448 /nfs/dbraw/zinc/25/84/48/401258448.db2.gz XWHUDGLRIQPJDL-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO O=[N+]([O-])c1cc(F)cc(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000359619970 286348528 /nfs/dbraw/zinc/34/85/28/286348528.db2.gz KXUUCNVXMJUFKJ-UHFFFAOYSA-N 1 2 318.230 3.105 20 5 DGBDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000359850740 286385934 /nfs/dbraw/zinc/38/59/34/286385934.db2.gz RRIAMLSRSQNBCR-NSHDSACASA-N 1 2 304.371 3.439 20 5 DGBDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000359850740 286385936 /nfs/dbraw/zinc/38/59/36/286385936.db2.gz RRIAMLSRSQNBCR-NSHDSACASA-N 1 2 304.371 3.439 20 5 DGBDLO CCn1c(C)nc([N+](=O)[O-])c1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000360995568 286572196 /nfs/dbraw/zinc/57/21/96/286572196.db2.gz OJXZPUCSCGYACP-UHFFFAOYSA-N 1 2 313.317 3.098 20 5 DGBDLO COc1ccc(C[NH2+][C@@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000134909119 196429377 /nfs/dbraw/zinc/42/93/77/196429377.db2.gz IVMSKNKIGQERLV-JTQLQIEISA-N 1 2 307.375 3.219 20 5 DGBDLO O=C(NCc1[nH]cc[nH+]1)c1cc2ccccc2c2cccnc12 ZINC000357565507 229351435 /nfs/dbraw/zinc/35/14/35/229351435.db2.gz JJACCLBCBVBGMF-UHFFFAOYSA-N 1 2 302.337 3.041 20 5 DGBDLO C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268279558 287603300 /nfs/dbraw/zinc/60/33/00/287603300.db2.gz QYHRWKUHLUQQRG-IAQYHMDHSA-N 1 2 304.325 3.018 20 5 DGBDLO CO[C@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000413186723 230149511 /nfs/dbraw/zinc/14/95/11/230149511.db2.gz PUFBRVZHPGRBRB-KBPBESRZSA-N 1 2 301.346 3.368 20 5 DGBDLO Cc1cc(C[C@@H](C)Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000413202013 230151683 /nfs/dbraw/zinc/15/16/83/230151683.db2.gz ULHRWGHZPSVUFB-SNVBAGLBSA-N 1 2 311.345 3.218 20 5 DGBDLO CCc1nocc1CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413297967 230182327 /nfs/dbraw/zinc/18/23/27/230182327.db2.gz MDFFHBMIFGNYBD-UHFFFAOYSA-N 1 2 312.329 3.330 20 5 DGBDLO Cc1[nH+]cccc1Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000346866469 264111520 /nfs/dbraw/zinc/11/15/20/264111520.db2.gz IIAHTGKWIKWERI-UHFFFAOYSA-N 1 2 324.340 3.171 20 5 DGBDLO Cc1[nH+]cccc1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000347093958 264155478 /nfs/dbraw/zinc/15/54/78/264155478.db2.gz IPRLJBSFNZUXKU-UHFFFAOYSA-N 1 2 302.315 3.001 20 5 DGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347360567 264206170 /nfs/dbraw/zinc/20/61/70/264206170.db2.gz VDBQCQWUEHQSJF-ZUZCIYMTSA-N 1 2 320.324 3.140 20 5 DGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347360567 264206172 /nfs/dbraw/zinc/20/61/72/264206172.db2.gz VDBQCQWUEHQSJF-ZUZCIYMTSA-N 1 2 320.324 3.140 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccn(C(F)F)n2)C2CC2)cc1 ZINC000347704486 264270400 /nfs/dbraw/zinc/27/04/00/264270400.db2.gz ODWVEQLSXYCIOC-UHFFFAOYSA-N 1 2 322.315 3.351 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccn(C(F)F)n2)C2CC2)cc1 ZINC000347704486 264270401 /nfs/dbraw/zinc/27/04/01/264270401.db2.gz ODWVEQLSXYCIOC-UHFFFAOYSA-N 1 2 322.315 3.351 20 5 DGBDLO CCc1[nH+]c(C)ccc1OCCOc1cccc([N+](=O)[O-])c1 ZINC000352553124 265087718 /nfs/dbraw/zinc/08/77/18/265087718.db2.gz FLZUCRDUYIVWIL-UHFFFAOYSA-N 1 2 302.330 3.318 20 5 DGBDLO Cn1ccnc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352683332 265127911 /nfs/dbraw/zinc/12/79/11/265127911.db2.gz KFPNKXIYEBLVSR-GOSISDBHSA-N 1 2 322.368 3.208 20 5 DGBDLO Cn1cc[nH+]c1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352683332 265127915 /nfs/dbraw/zinc/12/79/15/265127915.db2.gz KFPNKXIYEBLVSR-GOSISDBHSA-N 1 2 322.368 3.208 20 5 DGBDLO Cc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C(C)C)s1 ZINC000355550878 266111619 /nfs/dbraw/zinc/11/16/19/266111619.db2.gz GWGZHGHIUZNKAR-UHFFFAOYSA-N 1 2 308.407 3.109 20 5 DGBDLO Cc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C(C)C)s1 ZINC000355550878 266111621 /nfs/dbraw/zinc/11/16/21/266111621.db2.gz GWGZHGHIUZNKAR-UHFFFAOYSA-N 1 2 308.407 3.109 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000368638057 271185974 /nfs/dbraw/zinc/18/59/74/271185974.db2.gz LTTTUGYURNFGKV-LLVKDONJSA-N 1 2 306.753 3.286 20 5 DGBDLO COc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000342870615 274093061 /nfs/dbraw/zinc/09/30/61/274093061.db2.gz GNWYRXDDDPWYNZ-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO COc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000342870615 274093064 /nfs/dbraw/zinc/09/30/64/274093064.db2.gz GNWYRXDDDPWYNZ-UHFFFAOYSA-N 1 2 313.357 3.163 20 5 DGBDLO CC(C)(O)C1C[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000297417390 275553001 /nfs/dbraw/zinc/55/30/01/275553001.db2.gz NBSLNNXXTMTUDK-UHFFFAOYSA-N 1 2 319.188 3.104 20 5 DGBDLO CC(C)Oc1nc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000518396269 429421998 /nfs/dbraw/zinc/42/19/98/429421998.db2.gz BQWPLJHVOAHNBC-CYBMUJFWSA-N 1 2 319.365 3.309 20 5 DGBDLO O=[N+]([O-])c1ccc2ccnc(NCCCCn3cc[nH+]c3)c2c1 ZINC000518722131 429431926 /nfs/dbraw/zinc/43/19/26/429431926.db2.gz TUBDLRIRCCDKOZ-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO Cc1nn(C)c(Nc2ccc([NH+]3CCCC3)cc2C)c1[N+](=O)[O-] ZINC000301247434 279201075 /nfs/dbraw/zinc/20/10/75/279201075.db2.gz BVRWTYXAMXPWTD-UHFFFAOYSA-N 1 2 315.377 3.289 20 5 DGBDLO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339092287 280057619 /nfs/dbraw/zinc/05/76/19/280057619.db2.gz RTODWVSKGWFCBB-ZFWWWQNUSA-N 1 2 310.419 3.454 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000339128376 280368954 /nfs/dbraw/zinc/36/89/54/280368954.db2.gz OMFGVJFNJYDKTM-OAHLLOKOSA-N 1 2 314.341 3.173 20 5 DGBDLO COc1cc(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])ccc1O ZINC000080848059 431774995 /nfs/dbraw/zinc/77/49/95/431774995.db2.gz VPYKDCLRHWRCQG-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO COc1cc(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])ccc1O ZINC000080848059 431775002 /nfs/dbraw/zinc/77/50/02/431775002.db2.gz VPYKDCLRHWRCQG-UHFFFAOYSA-N 1 2 320.320 3.080 20 5 DGBDLO COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000051509195 431951867 /nfs/dbraw/zinc/95/18/67/431951867.db2.gz TYZYMXYSCNRZFJ-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO COc1ccc(C[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000051509195 431951868 /nfs/dbraw/zinc/95/18/68/431951868.db2.gz TYZYMXYSCNRZFJ-UHFFFAOYSA-N 1 2 304.371 3.223 20 5 DGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000173364018 432273725 /nfs/dbraw/zinc/27/37/25/432273725.db2.gz FVDVGXBSJISTCU-UHFFFAOYSA-N 1 2 322.324 3.166 20 5 DGBDLO COc1cc(NCCc2cc[nH+]cc2C)c(F)cc1[N+](=O)[O-] ZINC000271092788 432327852 /nfs/dbraw/zinc/32/78/52/432327852.db2.gz LNNOYLTYSOVZFL-UHFFFAOYSA-N 1 2 305.309 3.101 20 5 DGBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCS1 ZINC000184226864 432368003 /nfs/dbraw/zinc/36/80/03/432368003.db2.gz FPQHWQIPJAUYTM-NSHDSACASA-N 1 2 314.382 3.070 20 5 DGBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCS1 ZINC000184226864 432368005 /nfs/dbraw/zinc/36/80/05/432368005.db2.gz FPQHWQIPJAUYTM-NSHDSACASA-N 1 2 314.382 3.070 20 5 DGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])o1 ZINC000184840829 432438124 /nfs/dbraw/zinc/43/81/24/432438124.db2.gz MATCQMFARKDUDR-AWEZNQCLSA-N 1 2 322.336 3.367 20 5 DGBDLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000192763993 432410474 /nfs/dbraw/zinc/41/04/74/432410474.db2.gz KYHMNSQHSGERLV-VXGBXAGGSA-N 1 2 316.361 3.119 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CCO)c1ccco1 ZINC000185099590 432467374 /nfs/dbraw/zinc/46/73/74/432467374.db2.gz PHWFJXLVRVOPHL-GFCCVEGCSA-N 1 2 310.737 3.055 20 5 DGBDLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000186425277 432594124 /nfs/dbraw/zinc/59/41/24/432594124.db2.gz MEPIGIWGEANLKU-UHFFFAOYSA-N 1 2 319.361 3.188 20 5 DGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1F ZINC000274349048 432654904 /nfs/dbraw/zinc/65/49/04/432654904.db2.gz WQAJOYUACKMKPD-CQSZACIVSA-N 1 2 319.336 3.408 20 5 DGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1F ZINC000274349048 432654909 /nfs/dbraw/zinc/65/49/09/432654909.db2.gz WQAJOYUACKMKPD-CQSZACIVSA-N 1 2 319.336 3.408 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000266542976 432764024 /nfs/dbraw/zinc/76/40/24/432764024.db2.gz QPRUXIBBFVYMDW-RISCZKNCSA-N 1 2 319.386 3.186 20 5 DGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000266542976 432764026 /nfs/dbraw/zinc/76/40/26/432764026.db2.gz QPRUXIBBFVYMDW-RISCZKNCSA-N 1 2 319.386 3.186 20 5 DGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161815169 432800346 /nfs/dbraw/zinc/80/03/46/432800346.db2.gz ALHFQXHGUGZACI-UHFFFAOYSA-N 1 2 322.324 3.166 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000163328246 432850076 /nfs/dbraw/zinc/85/00/76/432850076.db2.gz VHIVYORZRSRASV-LSDHHAIUSA-N 1 2 310.781 3.392 20 5 DGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000163328246 432850080 /nfs/dbraw/zinc/85/00/80/432850080.db2.gz VHIVYORZRSRASV-LSDHHAIUSA-N 1 2 310.781 3.392 20 5 DGBDLO Cc1[nH]ncc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278969701 432923144 /nfs/dbraw/zinc/92/31/44/432923144.db2.gz BYHUKZQFEWPLNF-HNNXBMFYSA-N 1 2 300.362 3.139 20 5 DGBDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000289854434 432976772 /nfs/dbraw/zinc/97/67/72/432976772.db2.gz PVGMZIURZWOLMM-SECBINFHSA-N 1 2 318.295 3.220 20 5 DGBDLO COc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000289854434 432976777 /nfs/dbraw/zinc/97/67/77/432976777.db2.gz PVGMZIURZWOLMM-SECBINFHSA-N 1 2 318.295 3.220 20 5 DGBDLO C[C@H](c1cccc(F)c1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332530927 433010260 /nfs/dbraw/zinc/01/02/60/433010260.db2.gz RJOWFHMDWZTRJN-LLVKDONJSA-N 1 2 301.321 3.248 20 5 DGBDLO C[C@H](c1cccc(F)c1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332530927 433010263 /nfs/dbraw/zinc/01/02/63/433010263.db2.gz RJOWFHMDWZTRJN-LLVKDONJSA-N 1 2 301.321 3.248 20 5 DGBDLO Cc1c[nH+]ccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000297812825 433020112 /nfs/dbraw/zinc/02/01/12/433020112.db2.gz PXDKODQTDFNHFU-UHFFFAOYSA-N 1 2 314.345 3.355 20 5 DGBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000349839189 433020868 /nfs/dbraw/zinc/02/08/68/433020868.db2.gz YRSHFOJIUBJSGQ-MNOVXSKESA-N 1 2 305.334 3.393 20 5 DGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000280309811 433031335 /nfs/dbraw/zinc/03/13/35/433031335.db2.gz BEDMQOWUFRWCJD-CYBMUJFWSA-N 1 2 315.377 3.246 20 5 DGBDLO Cc1c([C@H](C)[NH2+]Cc2nn(C)cc2Cl)cccc1[N+](=O)[O-] ZINC000453316132 433087170 /nfs/dbraw/zinc/08/71/70/433087170.db2.gz HZDVXQYPUPLEDA-JTQLQIEISA-N 1 2 308.769 3.141 20 5 DGBDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000447067338 433154486 /nfs/dbraw/zinc/15/44/86/433154486.db2.gz NIHDLMBZEPHJKV-UHFFFAOYSA-N 1 2 302.378 3.247 20 5 DGBDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000447067338 433154493 /nfs/dbraw/zinc/15/44/93/433154493.db2.gz NIHDLMBZEPHJKV-UHFFFAOYSA-N 1 2 302.378 3.247 20 5 DGBDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000447076901 433154121 /nfs/dbraw/zinc/15/41/21/433154121.db2.gz IRQLZKNHCJBVRO-UHFFFAOYSA-N 1 2 302.378 3.247 20 5 DGBDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000447076901 433154130 /nfs/dbraw/zinc/15/41/30/433154130.db2.gz IRQLZKNHCJBVRO-UHFFFAOYSA-N 1 2 302.378 3.247 20 5 DGBDLO Cn1c2ccccc2[nH+]c1CCSc1ccc([N+](=O)[O-])cn1 ZINC000448108557 433363644 /nfs/dbraw/zinc/36/36/44/433363644.db2.gz CGDRCCOLFZISPE-UHFFFAOYSA-N 1 2 314.370 3.211 20 5 DGBDLO CCOc1ccccc1C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338931065 433326782 /nfs/dbraw/zinc/32/67/82/433326782.db2.gz YTQOXNAECNYWKH-UHFFFAOYSA-N 1 2 316.357 3.331 20 5 DGBDLO CCOc1ccccc1C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338931065 433326793 /nfs/dbraw/zinc/32/67/93/433326793.db2.gz YTQOXNAECNYWKH-UHFFFAOYSA-N 1 2 316.357 3.331 20 5 DGBDLO Cc1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000339038654 433331962 /nfs/dbraw/zinc/33/19/62/433331962.db2.gz SVRSRFXHRMVOKS-LBPRGKRZSA-N 1 2 300.362 3.990 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351246465 433438257 /nfs/dbraw/zinc/43/82/57/433438257.db2.gz DGMKLBIQUSQOJV-KRWDZBQOSA-N 1 2 322.405 3.239 20 5 DGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351246465 433438265 /nfs/dbraw/zinc/43/82/65/433438265.db2.gz DGMKLBIQUSQOJV-KRWDZBQOSA-N 1 2 322.405 3.239 20 5 DGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000339207187 433439517 /nfs/dbraw/zinc/43/95/17/433439517.db2.gz HMVNIDJIWVKXRX-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO COc1cc(C[N@H+](C)CCC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000361914197 433449670 /nfs/dbraw/zinc/44/96/70/433449670.db2.gz OJXXIULYGZNYMY-UHFFFAOYSA-N 1 2 310.247 3.127 20 5 DGBDLO COc1cc(C[N@@H+](C)CCC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000361914197 433449674 /nfs/dbraw/zinc/44/96/74/433449674.db2.gz OJXXIULYGZNYMY-UHFFFAOYSA-N 1 2 310.247 3.127 20 5 DGBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301213680 433454548 /nfs/dbraw/zinc/45/45/48/433454548.db2.gz YOPXKMSKCUKGSN-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)c2ccncc21 ZINC000321419794 292899781 /nfs/dbraw/zinc/89/97/81/292899781.db2.gz KJLQFLZLUPNRMR-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccncc2F)C2CC2)c1 ZINC000449007739 433655066 /nfs/dbraw/zinc/65/50/66/433655066.db2.gz BFCGXHBRDRQHMI-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccncc2F)C2CC2)c1 ZINC000449007739 433655077 /nfs/dbraw/zinc/65/50/77/433655077.db2.gz BFCGXHBRDRQHMI-UHFFFAOYSA-N 1 2 301.321 3.294 20 5 DGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)[nH+]1 ZINC000371254277 293206007 /nfs/dbraw/zinc/20/60/07/293206007.db2.gz UONWNFKDJVOQFG-UHFFFAOYSA-N 1 2 312.285 3.139 20 5 DGBDLO Cn1cnc([N+](=O)[O-])c1Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000351832715 433742553 /nfs/dbraw/zinc/74/25/53/433742553.db2.gz ZCSUICATKYOKPZ-UHFFFAOYSA-N 1 2 311.301 3.259 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](Cc3cccnc3)C3CC3)nc2c1 ZINC000356911519 433767980 /nfs/dbraw/zinc/76/79/80/433767980.db2.gz WVFVDWHNPPHDLC-UHFFFAOYSA-N 1 2 323.356 3.031 20 5 DGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3cccnc3)C3CC3)nc2c1 ZINC000356911519 433767986 /nfs/dbraw/zinc/76/79/86/433767986.db2.gz WVFVDWHNPPHDLC-UHFFFAOYSA-N 1 2 323.356 3.031 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3c(F)cccc3C2)c(F)c1 ZINC000339791894 433787389 /nfs/dbraw/zinc/78/73/89/433787389.db2.gz MBMNJGZBVOVZIU-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3c(F)cccc3C2)c(F)c1 ZINC000339791894 433787398 /nfs/dbraw/zinc/78/73/98/433787398.db2.gz MBMNJGZBVOVZIU-UHFFFAOYSA-N 1 2 304.296 3.431 20 5 DGBDLO COC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000285543345 433990942 /nfs/dbraw/zinc/99/09/42/433990942.db2.gz HUDIMNQNUTWIDV-MRXNPFEDSA-N 1 2 322.311 3.350 20 5 DGBDLO Cc1c(C[NH2+][C@@H](C)c2c(F)cncc2F)cccc1[N+](=O)[O-] ZINC000285850595 434086982 /nfs/dbraw/zinc/08/69/82/434086982.db2.gz XAPFKKVJJQQPDF-JTQLQIEISA-N 1 2 307.300 3.427 20 5 DGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CCO)c2ccccc2)c(F)c1 ZINC000285749220 434058985 /nfs/dbraw/zinc/05/89/85/434058985.db2.gz VMIPMUOTGLRDQP-MRXNPFEDSA-N 1 2 322.311 3.086 20 5 DGBDLO COc1cccc(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000505580833 294242756 /nfs/dbraw/zinc/24/27/56/294242756.db2.gz BJNRSXCEEGLRLF-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1cccc(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000505580833 294242760 /nfs/dbraw/zinc/24/27/60/294242760.db2.gz BJNRSXCEEGLRLF-UHFFFAOYSA-N 1 2 304.321 3.375 20 5 DGBDLO COc1cc([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)ccn1 ZINC000347569389 434268876 /nfs/dbraw/zinc/26/88/76/434268876.db2.gz WKLMYPBQSNLBER-VIFPVBQESA-N 1 2 323.299 3.127 20 5 DGBDLO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2[nH+]ccn21 ZINC000450828324 434429243 /nfs/dbraw/zinc/42/92/43/434429243.db2.gz JYHWQHWABLCIDI-HZMBPMFUSA-N 1 2 309.329 3.457 20 5 DGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000450828738 434429383 /nfs/dbraw/zinc/42/93/83/434429383.db2.gz LCPNKTMWUSTKQS-SNVBAGLBSA-N 1 2 302.334 3.187 20 5 DGBDLO Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)cc1[N+](=O)[O-] ZINC000360055158 434494562 /nfs/dbraw/zinc/49/45/62/434494562.db2.gz VBQOMFGXZXRQNQ-CYBMUJFWSA-N 1 2 317.320 3.095 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000418120351 434591677 /nfs/dbraw/zinc/59/16/77/434591677.db2.gz BBPAAGVRFIKFAK-HNNXBMFYSA-N 1 2 308.403 3.018 20 5 DGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000418120351 434591685 /nfs/dbraw/zinc/59/16/85/434591685.db2.gz BBPAAGVRFIKFAK-HNNXBMFYSA-N 1 2 308.403 3.018 20 5 DGBDLO CCC[C@H]([NH2+]Cc1nccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000424309665 434688147 /nfs/dbraw/zinc/68/81/47/434688147.db2.gz QWFGFDRZIBTWSH-AWEZNQCLSA-N 1 2 316.361 3.024 20 5 DGBDLO COc1cc(NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000360988003 434756239 /nfs/dbraw/zinc/75/62/39/434756239.db2.gz WEQAJDGFMMFFGX-UHFFFAOYSA-N 1 2 316.361 3.303 20 5 DGBDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000411938593 434847071 /nfs/dbraw/zinc/84/70/71/434847071.db2.gz IHZIKKGBWGIZCK-UHFFFAOYSA-N 1 2 310.353 3.356 20 5 DGBDLO CC(=O)c1ccc2c(c1)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000411938593 434847075 /nfs/dbraw/zinc/84/70/75/434847075.db2.gz IHZIKKGBWGIZCK-UHFFFAOYSA-N 1 2 310.353 3.356 20 5 DGBDLO CC(C)([NH2+]Cc1ccn(C(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000491995912 434896823 /nfs/dbraw/zinc/89/68/23/434896823.db2.gz GBQSORYDFITKKG-UHFFFAOYSA-N 1 2 310.304 3.211 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(F)c1 ZINC000530724777 435047848 /nfs/dbraw/zinc/04/78/48/435047848.db2.gz BUYCJOLBRVYSOL-INIZCTEOSA-N 1 2 301.321 3.466 20 5 DGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(F)c1 ZINC000530724777 435047853 /nfs/dbraw/zinc/04/78/53/435047853.db2.gz BUYCJOLBRVYSOL-INIZCTEOSA-N 1 2 301.321 3.466 20 5 DGBDLO Cc1ccnc(Nc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000532368699 435160217 /nfs/dbraw/zinc/16/02/17/435160217.db2.gz RLCQXLVJXCXQJM-UHFFFAOYSA-N 1 2 313.361 3.427 20 5 DGBDLO Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c[nH+]1 ZINC000536575602 435390654 /nfs/dbraw/zinc/39/06/54/435390654.db2.gz ZAYNYTMIHJSCKZ-UHFFFAOYSA-N 1 2 311.297 3.027 20 5 DGBDLO COc1cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000545223231 314235638 /nfs/dbraw/zinc/23/56/38/314235638.db2.gz OHHVSPNSWLAURG-UWVGGRQHSA-N 1 2 314.382 3.068 20 5 DGBDLO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000180040613 323220399 /nfs/dbraw/zinc/22/03/99/323220399.db2.gz QJSPSWQARWKSJH-OAHLLOKOSA-N 1 2 322.405 3.093 20 5 DGBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000181368671 323252790 /nfs/dbraw/zinc/25/27/90/323252790.db2.gz JMHIPIPAPLBVFB-LBPRGKRZSA-N 1 2 324.340 3.496 20 5 DGBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000181371370 323252928 /nfs/dbraw/zinc/25/29/28/323252928.db2.gz KCHDWGNWYWHIIW-LBPRGKRZSA-N 1 2 324.340 3.496 20 5 DGBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)c2cccnc21 ZINC000390576789 323666657 /nfs/dbraw/zinc/66/66/57/323666657.db2.gz DCFQIHLGVQJYSC-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DGBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(O)c1 ZINC000181532549 533943721 /nfs/dbraw/zinc/94/37/21/533943721.db2.gz ZXXAJFXOKGOIJG-JTQLQIEISA-N 1 2 313.313 3.292 20 5 DGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(CCCO)CC3)c2c1 ZINC000413250729 534884390 /nfs/dbraw/zinc/88/43/90/534884390.db2.gz VPIGPFDDYRQMDC-UHFFFAOYSA-N 1 2 315.373 3.132 20 5 DGBDLO CSc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595470700 547033544 /nfs/dbraw/zinc/03/35/44/547033544.db2.gz QJWWFIROCCFUOI-SECBINFHSA-N 1 2 307.375 3.464 20 5 DGBDLO COc1c(C)c[nH+]c(COC(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000736734238 574804181 /nfs/dbraw/zinc/80/41/81/574804181.db2.gz BKKFLPQBUNWJIA-UHFFFAOYSA-N 1 2 322.342 3.034 20 5 DGBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746670428 575468625 /nfs/dbraw/zinc/46/86/25/575468625.db2.gz GSBQCDUTBZDFLL-AWEZNQCLSA-N 1 2 312.797 3.495 20 5 DGBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746670428 575468627 /nfs/dbraw/zinc/46/86/27/575468627.db2.gz GSBQCDUTBZDFLL-AWEZNQCLSA-N 1 2 312.797 3.495 20 5 DGBDLO O=C(OCC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000918508026 620711283 /nfs/dbraw/zinc/71/12/83/620711283.db2.gz SVXQTVWVIBGUGY-UHFFFAOYSA-N 1 2 315.329 3.128 20 5 DGBDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000854056905 620765643 /nfs/dbraw/zinc/76/56/43/620765643.db2.gz WVXPXIPYBLOCEW-UHFFFAOYSA-N 1 2 318.352 3.042 20 5 DGBDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000854056905 620765646 /nfs/dbraw/zinc/76/56/46/620765646.db2.gz WVXPXIPYBLOCEW-UHFFFAOYSA-N 1 2 318.352 3.042 20 5 DGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(F)(F)CC1 ZINC000793361805 618531688 /nfs/dbraw/zinc/53/16/88/618531688.db2.gz LXJJWBXAZDBNOD-UHFFFAOYSA-N 1 2 300.305 3.225 20 5 DGBDLO Cc1[nH]c([C@@H]2CCCN2c2ccc(F)cc2[N+](=O)[O-])[nH+]c1C ZINC000895192473 618571715 /nfs/dbraw/zinc/57/17/15/618571715.db2.gz HVRGDBZZHFBHQB-ZDUSSCGKSA-N 1 2 304.325 3.415 20 5 DGBDLO Cc1cc(NCc2nc(C[NH+](C)C)cs2)c([N+](=O)[O-])s1 ZINC000895481538 618791353 /nfs/dbraw/zinc/79/13/53/618791353.db2.gz WSTXERMIRUFBRC-UHFFFAOYSA-N 1 2 312.420 3.095 20 5 DGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(C(F)F)no1 ZINC000895725636 618823664 /nfs/dbraw/zinc/82/36/64/618823664.db2.gz NQUVBCBSTGSZFL-WEVVVXLNSA-N 1 2 324.287 3.109 20 5 DGBDLO C[N@H+](CCCF)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000895898445 618847254 /nfs/dbraw/zinc/84/72/54/618847254.db2.gz SFYCHTWEUFCRIP-UHFFFAOYSA-N 1 2 305.147 3.149 20 5 DGBDLO C[N@@H+](CCCF)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000895898445 618847256 /nfs/dbraw/zinc/84/72/56/618847256.db2.gz SFYCHTWEUFCRIP-UHFFFAOYSA-N 1 2 305.147 3.149 20 5 DGBDLO CCCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000902874128 619685177 /nfs/dbraw/zinc/68/51/77/619685177.db2.gz CHJYJWJNVXIISZ-OLZOCXBDSA-N 1 2 317.393 3.317 20 5 DGBDLO CCCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000903001604 619703327 /nfs/dbraw/zinc/70/33/27/619703327.db2.gz VWWHPJWEODQRCG-RYUDHWBXSA-N 1 2 303.366 3.008 20 5 DGBDLO COc1cc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc([N+](=O)[O-])c1 ZINC000903187157 619736755 /nfs/dbraw/zinc/73/67/55/619736755.db2.gz QYZNHRAJQUBQFM-ZETOZRRWSA-N 1 2 316.361 3.157 20 5 DGBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(CCc3ccccc3)CC2)c1 ZINC000914566316 620542400 /nfs/dbraw/zinc/54/24/00/620542400.db2.gz XCBATPQQRCASFH-UHFFFAOYSA-N 1 2 314.389 3.094 20 5 DGBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccn(C)n1 ZINC000756743722 621662503 /nfs/dbraw/zinc/66/25/03/621662503.db2.gz VAXWISSPMKBHNE-CYBMUJFWSA-N 1 2 308.769 3.223 20 5 DGBDLO CN(C)c1cc(COc2c(Cl)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000762482859 622078809 /nfs/dbraw/zinc/07/88/09/622078809.db2.gz YUBUNOIWHRLJCW-UHFFFAOYSA-N 1 2 307.737 3.288 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000771156894 622721644 /nfs/dbraw/zinc/72/16/44/622721644.db2.gz ZTWGDTVTUNCQHN-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO Cc1cccc([N+](=O)[O-])c1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000771156894 622721647 /nfs/dbraw/zinc/72/16/47/622721647.db2.gz ZTWGDTVTUNCQHN-UHFFFAOYSA-N 1 2 313.348 3.069 20 5 DGBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccco3)no2)ccc1-n1cc[nH+]c1 ZINC000771189723 622724974 /nfs/dbraw/zinc/72/49/74/622724974.db2.gz FPOMUWVVAFJCST-UHFFFAOYSA-N 1 2 323.268 3.091 20 5 DGBDLO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872024122 622757844 /nfs/dbraw/zinc/75/78/44/622757844.db2.gz NMBWHIVDDACAOL-JTQLQIEISA-N 1 2 318.304 3.313 20 5 DGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000873127857 623041998 /nfs/dbraw/zinc/04/19/98/623041998.db2.gz YWRPHOWUIXVSEW-UHFFFAOYSA-N 1 2 322.315 3.229 20 5 DGBDLO CC1(C)CCc2onc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)c2C1 ZINC000873175449 623062471 /nfs/dbraw/zinc/06/24/71/623062471.db2.gz JTFRDOPSMOKRAU-UHFFFAOYSA-N 1 2 315.373 3.388 20 5 DGBDLO Cc1cc(OCc2cc[nH+]c(N(C)C)c2)c(F)cc1[N+](=O)[O-] ZINC000775224616 623242659 /nfs/dbraw/zinc/24/26/59/623242659.db2.gz DIOAXUFSKBHLME-UHFFFAOYSA-N 1 2 305.309 3.082 20 5 DGBDLO Cc1nn(C[N@H+](Cc2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC000779859266 623823203 /nfs/dbraw/zinc/82/32/03/623823203.db2.gz JVLIRKWKAHRBSE-UHFFFAOYSA-N 1 2 300.362 3.030 20 5 DGBDLO Cc1nn(C[N@@H+](Cc2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC000779859266 623823212 /nfs/dbraw/zinc/82/32/12/623823212.db2.gz JVLIRKWKAHRBSE-UHFFFAOYSA-N 1 2 300.362 3.030 20 5 DGBDLO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])oc1C ZINC000877827597 624057715 /nfs/dbraw/zinc/05/77/15/624057715.db2.gz DPWRKISVSADTCF-JTQLQIEISA-N 1 2 318.329 3.134 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047699 624766355 /nfs/dbraw/zinc/76/63/55/624766355.db2.gz WVVCGOFLJCYGCZ-GXFFZTMASA-N 1 2 318.295 3.309 20 5 DGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047699 624766357 /nfs/dbraw/zinc/76/63/57/624766357.db2.gz WVVCGOFLJCYGCZ-GXFFZTMASA-N 1 2 318.295 3.309 20 5 DGBDLO CC(C)c1ncc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801556167 626409636 /nfs/dbraw/zinc/40/96/36/626409636.db2.gz WTIHHAXTTBEWBZ-UHFFFAOYSA-N 1 2 318.352 3.279 20 5 DGBDLO CC(C)c1ncc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801556167 626409637 /nfs/dbraw/zinc/40/96/37/626409637.db2.gz WTIHHAXTTBEWBZ-UHFFFAOYSA-N 1 2 318.352 3.279 20 5 DGBDLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000840150293 626871560 /nfs/dbraw/zinc/87/15/60/626871560.db2.gz SWNXMMRLACHYSR-AWEZNQCLSA-N 1 2 304.325 3.033 20 5 DGBDLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000840150293 626871564 /nfs/dbraw/zinc/87/15/64/626871564.db2.gz SWNXMMRLACHYSR-AWEZNQCLSA-N 1 2 304.325 3.033 20 5 DGBDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1CO ZINC000809986088 626965925 /nfs/dbraw/zinc/96/59/25/626965925.db2.gz YIMVXFOKWCWLRT-UFBFGSQYSA-N 1 2 319.188 3.104 20 5 DGBDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1CO ZINC000809986088 626965927 /nfs/dbraw/zinc/96/59/27/626965927.db2.gz YIMVXFOKWCWLRT-UFBFGSQYSA-N 1 2 319.188 3.104 20 5 DGBDLO C[N@H+](CCOc1cccc(Cl)c1)Cc1cccnc1[N+](=O)[O-] ZINC000885926923 627061646 /nfs/dbraw/zinc/06/16/46/627061646.db2.gz KLFXLABWZICTFW-UHFFFAOYSA-N 1 2 321.764 3.154 20 5 DGBDLO C[N@@H+](CCOc1cccc(Cl)c1)Cc1cccnc1[N+](=O)[O-] ZINC000885926923 627061650 /nfs/dbraw/zinc/06/16/50/627061650.db2.gz KLFXLABWZICTFW-UHFFFAOYSA-N 1 2 321.764 3.154 20 5 DGBDLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000924796750 627680499 /nfs/dbraw/zinc/68/04/99/627680499.db2.gz CNFWNJWVKJXLNA-NWDGAFQWSA-N 1 2 303.366 3.179 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)c(N2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000820580922 628274454 /nfs/dbraw/zinc/27/44/54/628274454.db2.gz HDVZCUXVKGQPIP-UHFFFAOYSA-N 1 2 313.144 3.187 20 5 DGBDLO CCCc1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000825087027 628726184 /nfs/dbraw/zinc/72/61/84/628726184.db2.gz XEZDLUHJYYPLHB-UHFFFAOYSA-N 1 2 309.753 3.479 20 5 DGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001584330000 1192190609 /nfs/dbraw/zinc/19/06/09/1192190609.db2.gz JJKGZALVTFCEMQ-UHFFFAOYSA-N 1 2 316.704 3.148 20 5 DGBDLO Cc1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001458448070 1182525366 /nfs/dbraw/zinc/52/53/66/1182525366.db2.gz WAWPJVQENCRDJT-UHFFFAOYSA-N 1 2 308.341 3.189 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC001458463375 1182527116 /nfs/dbraw/zinc/52/71/16/1182527116.db2.gz ZYIKGAOKWAZKTJ-LLVKDONJSA-N 1 2 301.749 3.094 20 5 DGBDLO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001458463375 1182527119 /nfs/dbraw/zinc/52/71/19/1182527119.db2.gz ZYIKGAOKWAZKTJ-LLVKDONJSA-N 1 2 301.749 3.094 20 5 DGBDLO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001460778284 1182722129 /nfs/dbraw/zinc/72/21/29/1182722129.db2.gz FLJDXRYFZGCFMH-JTQLQIEISA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001460778284 1182722131 /nfs/dbraw/zinc/72/21/31/1182722131.db2.gz FLJDXRYFZGCFMH-JTQLQIEISA-N 1 2 320.780 3.166 20 5 DGBDLO Cc1cc(C)c(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c[nH+]1 ZINC001469004981 1183375759 /nfs/dbraw/zinc/37/57/59/1183375759.db2.gz PMAUGFGGPJYIKU-UHFFFAOYSA-N 1 2 324.340 3.018 20 5 DGBDLO Cc1c[nH+]c2cc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)ccn12 ZINC001524719571 1187263204 /nfs/dbraw/zinc/26/32/04/1187263204.db2.gz XEYBMJQBWKCHEA-UHFFFAOYSA-N 1 2 324.340 3.420 20 5 DGBDLO CC(C)(C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC001527606312 1187438182 /nfs/dbraw/zinc/43/81/82/1187438182.db2.gz KBHQRORERYKTTE-UHFFFAOYSA-N 1 2 324.340 3.159 20 5 DGBDLO Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001530395814 1187625583 /nfs/dbraw/zinc/62/55/83/1187625583.db2.gz KVQCMVKEOQUXBB-UHFFFAOYSA-N 1 2 323.308 3.308 20 5 DGBDLO C[C@@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001535809705 1187978427 /nfs/dbraw/zinc/97/84/27/1187978427.db2.gz LNVAGHNJDWRRMP-DGCLKSJQSA-N 1 2 315.329 3.126 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001559665044 1189228161 /nfs/dbraw/zinc/22/81/61/1189228161.db2.gz BKDUIWGYRLHPFW-WDEREUQCSA-N 1 2 302.708 3.335 20 5 DGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001559665044 1189228165 /nfs/dbraw/zinc/22/81/65/1189228165.db2.gz BKDUIWGYRLHPFW-WDEREUQCSA-N 1 2 302.708 3.335 20 5 DGBDLO Cc1ccc(C[NH2+]Cc2nc(C)c3ccccc3n2)cc1[N+](=O)[O-] ZINC001620764069 1191444605 /nfs/dbraw/zinc/44/46/05/1191444605.db2.gz YCBIHYMQYLXVLQ-UHFFFAOYSA-N 1 2 322.368 3.445 20 5 DGBDLO Nc1[nH+]cccc1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642702980 1194930405 /nfs/dbraw/zinc/93/04/05/1194930405.db2.gz ZHEGRNQYIFTGMS-UHFFFAOYSA-N 1 2 313.144 3.491 20 5 DGBDLO CCc1cc(NCc2ccc(C)c([N+](=O)[O-])c2)nc(CC)[nH+]1 ZINC001643074638 1194965337 /nfs/dbraw/zinc/96/53/37/1194965337.db2.gz BYGPPWRRLQXWJJ-UHFFFAOYSA-N 1 2 300.362 3.430 20 5 DGBDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001643071458 1194965596 /nfs/dbraw/zinc/96/55/96/1194965596.db2.gz MGJDLUQPQCLDBM-AWEZNQCLSA-N 1 2 318.764 3.242 20 5 DGBDLO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001643071458 1194965601 /nfs/dbraw/zinc/96/56/01/1194965601.db2.gz MGJDLUQPQCLDBM-AWEZNQCLSA-N 1 2 318.764 3.242 20 5 DGBDLO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001652753079 1195647999 /nfs/dbraw/zinc/64/79/99/1195647999.db2.gz HKFZLVGAGSZTPQ-HZPDHXFCSA-N 1 2 322.405 3.326 20 5 DGBDLO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001652753079 1195648002 /nfs/dbraw/zinc/64/80/02/1195648002.db2.gz HKFZLVGAGSZTPQ-HZPDHXFCSA-N 1 2 322.405 3.326 20 5 DGBDLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001654791773 1195842188 /nfs/dbraw/zinc/84/21/88/1195842188.db2.gz VLFDLDLHNDMEQW-SNVBAGLBSA-N 1 2 320.780 3.166 20 5 DGBDLO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001654791773 1195842191 /nfs/dbraw/zinc/84/21/91/1195842191.db2.gz VLFDLDLHNDMEQW-SNVBAGLBSA-N 1 2 320.780 3.166 20 5 DGBDLO C[N@@H+]1Cc2ccccc2[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC001655775771 1195961885 /nfs/dbraw/zinc/96/18/85/1195961885.db2.gz SKHAMRLCSDVWRO-OAHLLOKOSA-N 1 2 301.321 3.333 20 5 DGBDLO C[N@H+]1Cc2ccccc2[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC001655775771 1195961886 /nfs/dbraw/zinc/96/18/86/1195961886.db2.gz SKHAMRLCSDVWRO-OAHLLOKOSA-N 1 2 301.321 3.333 20 5 DGBDLO Cc1cc(NCCCN(C)c2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC001655798839 1195964361 /nfs/dbraw/zinc/96/43/61/1195964361.db2.gz QUURGVLRXIXMJB-UHFFFAOYSA-N 1 2 300.362 3.237 20 5 DGBDLO CCNc1ccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC001655958342 1195982886 /nfs/dbraw/zinc/98/28/86/1195982886.db2.gz MUZOCIINZOTPOZ-UHFFFAOYSA-N 1 2 309.329 3.135 20 5 DGBDLO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001660263774 1196463385 /nfs/dbraw/zinc/46/33/85/1196463385.db2.gz WSNVPHUYKFDVDA-ZDUSSCGKSA-N 1 2 311.813 3.211 20 5 DGBDLO