smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCO[C@@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000135565824 344382175 /nfs/dbraw/zinc/38/21/75/344382175.db2.gz FPEIHPHTAXBGCS-LBPRGKRZSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000135565824 344382177 /nfs/dbraw/zinc/38/21/77/344382177.db2.gz FPEIHPHTAXBGCS-LBPRGKRZSA-N 1 1 279.340 2.036 10 5 CEBEMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1C ZINC000091557610 180191022 /nfs/dbraw/zinc/19/10/22/180191022.db2.gz BXPYWIRMEFYSKZ-LLVKDONJSA-N 1 1 281.360 2.016 10 5 CEBEMO CC(C)c1nn(C)c(NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000091582884 180199078 /nfs/dbraw/zinc/19/90/78/180199078.db2.gz ZVTCJWMENJJQES-LLVKDONJSA-N 1 1 295.387 2.205 10 5 CEBEMO C[C@H]1COC[C@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000120935103 365498598 /nfs/dbraw/zinc/49/85/98/365498598.db2.gz UGNIDQWOAPBRMF-RYUDHWBXSA-N 1 1 280.324 2.083 10 5 CEBEMO [NH3+]CC(F)(F)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000162677450 367178537 /nfs/dbraw/zinc/17/85/37/367178537.db2.gz XFSOUWYFSUGKAH-UHFFFAOYSA-N 1 1 282.250 2.149 10 5 CEBEMO [NH3+]CC(F)(F)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000162689131 367179699 /nfs/dbraw/zinc/17/96/99/367179699.db2.gz XAGLEBDUPMDTIG-UHFFFAOYSA-N 1 1 265.647 2.254 10 5 CEBEMO O=[N+]([O-])c1cccc(CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000246251715 370935737 /nfs/dbraw/zinc/93/57/37/370935737.db2.gz WUPVFYVABHJJNH-HNNXBMFYSA-N 1 1 275.352 2.265 10 5 CEBEMO CC[N@@H+]1CCO[C@@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218851759 394457463 /nfs/dbraw/zinc/45/74/63/394457463.db2.gz WDOQOAJVMVSTKI-LBPRGKRZSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218851759 394457467 /nfs/dbraw/zinc/45/74/67/394457467.db2.gz WDOQOAJVMVSTKI-LBPRGKRZSA-N 1 1 279.340 2.036 10 5 CEBEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000296286224 395315854 /nfs/dbraw/zinc/31/58/54/395315854.db2.gz OYTKMDWIWGFKOR-RNCFNFMXSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000296286224 395315860 /nfs/dbraw/zinc/31/58/60/395315860.db2.gz OYTKMDWIWGFKOR-RNCFNFMXSA-N 1 1 268.288 2.079 10 5 CEBEMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000040503211 174300228 /nfs/dbraw/zinc/30/02/28/174300228.db2.gz WIQFPNPSZJCHBL-JTQLQIEISA-N 1 1 294.311 2.399 10 5 CEBEMO CNc1ccc(C[N@@H+](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000050814146 522607262 /nfs/dbraw/zinc/60/72/62/522607262.db2.gz LUNNOSKZERHULX-UHFFFAOYSA-N 1 1 279.340 2.247 10 5 CEBEMO COCC[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000050815097 523751174 /nfs/dbraw/zinc/75/11/74/523751174.db2.gz LIJIGOZZQXNSNR-UHFFFAOYSA-N 1 1 281.356 2.281 10 5 CEBEMO C[C@H](O)c1ccc(N(C)[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000053245955 525855677 /nfs/dbraw/zinc/85/56/77/525855677.db2.gz YBFPRZDDLFNIRF-WCQYABFASA-N 1 1 293.367 2.179 10 5 CEBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCC[C@H](CCO)C1 ZINC000062727301 527397535 /nfs/dbraw/zinc/39/75/35/527397535.db2.gz GSOPGBYGJHSXKW-CYBMUJFWSA-N 1 1 278.352 2.232 10 5 CEBEMO CC[N@@H+]1CCO[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000122885775 344308061 /nfs/dbraw/zinc/30/80/61/344308061.db2.gz BPZLTHCNCWCJDK-GFCCVEGCSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000122885775 344308062 /nfs/dbraw/zinc/30/80/62/344308062.db2.gz BPZLTHCNCWCJDK-GFCCVEGCSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000336897711 365941048 /nfs/dbraw/zinc/94/10/48/365941048.db2.gz PKCCPFXZUQJHKX-VIFPVBQESA-N 1 1 253.277 2.240 10 5 CEBEMO Cc1cnc(NC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000090692237 180024919 /nfs/dbraw/zinc/02/49/19/180024919.db2.gz RYESBDLVDHQTBL-LLVKDONJSA-N 1 1 264.329 2.194 10 5 CEBEMO CCc1nn(C)c(NCCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000091561479 180191872 /nfs/dbraw/zinc/19/18/72/180191872.db2.gz IWFKERIOLFJBJX-UHFFFAOYSA-N 1 1 297.403 2.423 10 5 CEBEMO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2NC)CC[N@H+]1C ZINC000110743028 186318926 /nfs/dbraw/zinc/31/89/26/186318926.db2.gz BADYIIIZWICFBJ-CYBMUJFWSA-N 1 1 292.383 2.163 10 5 CEBEMO CCC[C@H]([NH2+]C1COC1)c1cccc([N+](=O)[O-])c1 ZINC000094710006 184845038 /nfs/dbraw/zinc/84/50/38/184845038.db2.gz YKWXQFZKPNTURP-ZDUSSCGKSA-N 1 1 250.298 2.424 10 5 CEBEMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000401886282 533676716 /nfs/dbraw/zinc/67/67/16/533676716.db2.gz FHIKXDDYHNIRRW-BXKDBHETSA-N 1 1 284.743 2.451 10 5 CEBEMO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000401886282 533676708 /nfs/dbraw/zinc/67/67/08/533676708.db2.gz FHIKXDDYHNIRRW-BXKDBHETSA-N 1 1 284.743 2.451 10 5 CEBEMO CC(C)[N@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])o2)C1 ZINC000040622967 174355631 /nfs/dbraw/zinc/35/56/31/174355631.db2.gz AABRPZQHUMINNO-LLVKDONJSA-N 1 1 267.329 2.008 10 5 CEBEMO Cn1cc[nH+]c1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000040639633 174363970 /nfs/dbraw/zinc/36/39/70/174363970.db2.gz WZYJNTVZHRQRAW-UHFFFAOYSA-N 1 1 264.260 2.122 10 5 CEBEMO CC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816673 521133914 /nfs/dbraw/zinc/13/39/14/521133914.db2.gz APCRYOVVIWMORA-UHFFFAOYSA-N 1 1 267.329 2.105 10 5 CEBEMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1NC)[C@H](C)COC ZINC000050814981 521295325 /nfs/dbraw/zinc/29/53/25/521295325.db2.gz CRTAWLUKCGUION-LLVKDONJSA-N 1 1 281.356 2.493 10 5 CEBEMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840955 521625700 /nfs/dbraw/zinc/62/57/00/521625700.db2.gz FDPGQLMUPJSESY-SNVBAGLBSA-N 1 1 264.329 2.073 10 5 CEBEMO CC[C@H]([NH3+])c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000050441198 522348857 /nfs/dbraw/zinc/34/88/57/522348857.db2.gz QASCOEUOYMFXHJ-JTQLQIEISA-N 1 1 262.269 2.363 10 5 CEBEMO COCC[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)[C@@H](C)C1CC1 ZINC000050816710 523751088 /nfs/dbraw/zinc/75/10/88/523751088.db2.gz SOISCSAOMABGDN-NSHDSACASA-N 1 1 293.367 2.424 10 5 CEBEMO CN1CCC[C@@H](C[NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000062726507 523815124 /nfs/dbraw/zinc/81/51/24/523815124.db2.gz DRWULFYDOGURBZ-ZDUSSCGKSA-N 1 1 277.368 2.069 10 5 CEBEMO C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000052926163 525535666 /nfs/dbraw/zinc/53/56/66/525535666.db2.gz RHALKVUYQOMSBP-OCCSQVGLSA-N 1 1 277.368 2.415 10 5 CEBEMO COc1ccc(C[N@H+]2CCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000052762804 362473829 /nfs/dbraw/zinc/47/38/29/362473829.db2.gz MGUBGRHOGIPKNC-ZDUSSCGKSA-N 1 1 294.351 2.340 10 5 CEBEMO C[NH+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000307023354 344719630 /nfs/dbraw/zinc/71/96/30/344719630.db2.gz HNWUACWYGXYSAS-UHFFFAOYSA-N 1 1 259.103 2.419 10 5 CEBEMO CC[N@H+]1CCC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401151394 344866360 /nfs/dbraw/zinc/86/63/60/344866360.db2.gz FKJBBWWWCBBISA-SNVBAGLBSA-N 1 1 268.292 2.025 10 5 CEBEMO Cc1cccc([N+](=O)[O-])c1NCCc1[nH+]ccn1C ZINC000096482963 232185827 /nfs/dbraw/zinc/18/58/27/232185827.db2.gz KZHCELZUKXPEEU-UHFFFAOYSA-N 1 1 260.297 2.291 10 5 CEBEMO C[NH2+]Cc1noc(-c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000111011130 186343541 /nfs/dbraw/zinc/34/35/41/186343541.db2.gz CUICEWWDIJJJEO-UHFFFAOYSA-N 1 1 268.660 2.018 10 5 CEBEMO O=[N+]([O-])c1ccccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172800376 367821620 /nfs/dbraw/zinc/82/16/20/367821620.db2.gz NVPLZTFDYWXSAQ-CQSZACIVSA-N 1 1 275.352 2.265 10 5 CEBEMO COc1cc(N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000246145231 370915529 /nfs/dbraw/zinc/91/55/29/370915529.db2.gz YLTBLZAVSHPRGP-JTQLQIEISA-N 1 1 295.314 2.027 10 5 CEBEMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052761837 285159776 /nfs/dbraw/zinc/15/97/76/285159776.db2.gz GCNMYMRLXYJGPG-ZDUSSCGKSA-N 1 1 264.325 2.332 10 5 CEBEMO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000400317717 533506188 /nfs/dbraw/zinc/50/61/88/533506188.db2.gz AAMRIUHSVDGARN-LOWVWBTDSA-N 1 1 263.341 2.243 10 5 CEBEMO CC[N@@H+]1CCC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000040502985 174300037 /nfs/dbraw/zinc/30/00/37/174300037.db2.gz JSBQKHZAYBJMLK-NSHDSACASA-N 1 1 269.370 2.230 10 5 CEBEMO CC[N@H+]1CCC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000040502985 174300038 /nfs/dbraw/zinc/30/00/38/174300038.db2.gz JSBQKHZAYBJMLK-NSHDSACASA-N 1 1 269.370 2.230 10 5 CEBEMO CCOc1cccc(N2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000184112084 276381287 /nfs/dbraw/zinc/38/12/87/276381287.db2.gz PZXWUXUQADDYSB-GFCCVEGCSA-N 1 1 291.351 2.278 10 5 CEBEMO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCc1ccc([N+](=O)[O-])cc1 ZINC000054628687 521955331 /nfs/dbraw/zinc/95/53/31/521955331.db2.gz UXIHYZVONAATTB-VHRNVKJDSA-N 1 1 289.379 2.352 10 5 CEBEMO CNc1cc(Cn2ncc3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC000052732616 522566619 /nfs/dbraw/zinc/56/66/19/522566619.db2.gz QDNHGHPYAJPGIF-UHFFFAOYSA-N 1 1 283.291 2.430 10 5 CEBEMO CNc1ccc(C[N@H+]2CCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000052763219 522609493 /nfs/dbraw/zinc/60/94/93/522609493.db2.gz LFUVEUDMDCMIRK-CYBMUJFWSA-N 1 1 293.367 2.373 10 5 CEBEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000295819661 643788376 /nfs/dbraw/zinc/78/83/76/643788376.db2.gz BVBVDCRZUOLDFF-TVQRCGJNSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000295819661 643788379 /nfs/dbraw/zinc/78/83/79/643788379.db2.gz BVBVDCRZUOLDFF-TVQRCGJNSA-N 1 1 268.288 2.079 10 5 CEBEMO C[NH+](C)/C=C/c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000034436079 361790591 /nfs/dbraw/zinc/79/05/91/361790591.db2.gz WRDVDKRYPPWMDJ-ONEGZZNKSA-N 1 1 255.205 2.174 10 5 CEBEMO CC[N@@H+](CCO)CCCCc1ccccc1[N+](=O)[O-] ZINC000584603328 344963788 /nfs/dbraw/zinc/96/37/88/344963788.db2.gz WHJGJCBLPFQRNP-UHFFFAOYSA-N 1 1 266.341 2.232 10 5 CEBEMO C[N@H+]1CCC[C@@H](Nc2ccc(O)cc2[N+](=O)[O-])CC1 ZINC000086818572 179346623 /nfs/dbraw/zinc/34/66/23/179346623.db2.gz SKAVCGMZGUTABT-SNVBAGLBSA-N 1 1 265.313 2.197 10 5 CEBEMO CC[N@H+]1CCC[C@@H](Nc2c([N+](=O)[O-])c(C(C)C)nn2C)C1 ZINC000091580789 180198706 /nfs/dbraw/zinc/19/87/06/180198706.db2.gz AKQNNMOZAPORPD-LLVKDONJSA-N 1 1 295.387 2.348 10 5 CEBEMO C[C@H]1C[NH+](CC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000092086188 180320553 /nfs/dbraw/zinc/32/05/53/180320553.db2.gz AIEIGQMAJQSICK-QWRGUYRKSA-N 1 1 262.309 2.365 10 5 CEBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000107926721 186198326 /nfs/dbraw/zinc/19/83/26/186198326.db2.gz ADWOHSHDORZBTN-YIONKMFJSA-N 1 1 276.336 2.125 10 5 CEBEMO C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000111170667 186364813 /nfs/dbraw/zinc/36/48/13/186364813.db2.gz QRZFSVLOVOFJCT-LBPRGKRZSA-N 1 1 279.340 2.035 10 5 CEBEMO CC[N@@H+]1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290512 375300065 /nfs/dbraw/zinc/30/00/65/375300065.db2.gz XIVQTMMCIZTMMK-YPMHNXCESA-N 1 1 263.341 2.340 10 5 CEBEMO CC[N@H+]1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290512 375300069 /nfs/dbraw/zinc/30/00/69/375300069.db2.gz XIVQTMMCIZTMMK-YPMHNXCESA-N 1 1 263.341 2.340 10 5 CEBEMO CCOc1cc(N[C@H]2CC[N@@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000389249888 375300458 /nfs/dbraw/zinc/30/04/58/375300458.db2.gz GCXULVIYBUVVTG-LBPRGKRZSA-N 1 1 279.340 2.500 10 5 CEBEMO CC[N@@H+](C)[C@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000302792366 379453684 /nfs/dbraw/zinc/45/36/84/379453684.db2.gz ZCJJPLQTPIDXFN-ZDUSSCGKSA-N 1 1 291.351 2.328 10 5 CEBEMO Cc1c(C[N@H+]2CC[C@H](CCO)C2)cccc1[N+](=O)[O-] ZINC000227571695 153346425 /nfs/dbraw/zinc/34/64/25/153346425.db2.gz OVKNMBYIFQPDGX-GFCCVEGCSA-N 1 1 264.325 2.108 10 5 CEBEMO CC[C@@H](C)[N@@H+](CC)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037336510 173137946 /nfs/dbraw/zinc/13/79/46/173137946.db2.gz ABXVIOFAGDTHEO-SECBINFHSA-N 1 1 253.302 2.226 10 5 CEBEMO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000038087913 174100932 /nfs/dbraw/zinc/10/09/32/174100932.db2.gz SPOPPMXCGISKOP-WDEREUQCSA-N 1 1 251.330 2.196 10 5 CEBEMO CC[N@@H+](C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000054111774 276071416 /nfs/dbraw/zinc/07/14/16/276071416.db2.gz QOOCRRGCKOLHEL-UHFFFAOYSA-N 1 1 271.748 2.290 10 5 CEBEMO CCOc1cccc(N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000248400283 276381476 /nfs/dbraw/zinc/38/14/76/276381476.db2.gz PZXWUXUQADDYSB-LBPRGKRZSA-N 1 1 291.351 2.278 10 5 CEBEMO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000050817199 520170803 /nfs/dbraw/zinc/17/08/03/520170803.db2.gz OCLINGDHDSMUIA-CQSZACIVSA-N 1 1 293.367 2.373 10 5 CEBEMO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000050817199 520170811 /nfs/dbraw/zinc/17/08/11/520170811.db2.gz OCLINGDHDSMUIA-CQSZACIVSA-N 1 1 293.367 2.373 10 5 CEBEMO C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000050815039 523261107 /nfs/dbraw/zinc/26/11/07/523261107.db2.gz LCDQFEAFWJMCJJ-LBPRGKRZSA-N 1 1 279.340 2.178 10 5 CEBEMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CCO)C2)ccc1Cl ZINC000122168409 648141106 /nfs/dbraw/zinc/14/11/06/648141106.db2.gz KRGLNATZUMHPAC-JTQLQIEISA-N 1 1 284.743 2.453 10 5 CEBEMO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595545211 345808585 /nfs/dbraw/zinc/80/85/85/345808585.db2.gz DZFGEQGIORQNLZ-JOYOIKCWSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595545211 345808589 /nfs/dbraw/zinc/80/85/89/345808589.db2.gz DZFGEQGIORQNLZ-JOYOIKCWSA-N 1 1 268.288 2.079 10 5 CEBEMO C[N@H+]1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000086819047 179348484 /nfs/dbraw/zinc/34/84/84/179348484.db2.gz MEPBAYIGEYNNLL-ZDUSSCGKSA-N 1 1 263.341 2.169 10 5 CEBEMO C[N@H+]1CCC[C@H](Nc2ccc(O)cc2[N+](=O)[O-])CC1 ZINC000086818571 179346796 /nfs/dbraw/zinc/34/67/96/179346796.db2.gz SKAVCGMZGUTABT-JTQLQIEISA-N 1 1 265.313 2.197 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000113270819 364881737 /nfs/dbraw/zinc/88/17/37/364881737.db2.gz FEAWEJRRZCYVDL-CMPLNLGQSA-N 1 1 281.381 2.325 10 5 CEBEMO Cc1cc(NCCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000040639722 174364053 /nfs/dbraw/zinc/36/40/53/174364053.db2.gz RUVLGQLJNRIZCV-UHFFFAOYSA-N 1 1 260.297 2.291 10 5 CEBEMO 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CCCc1nn(C)c(NC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000091584140 180199610 /nfs/dbraw/zinc/19/96/10/180199610.db2.gz YMKDQCCVLQKKFI-LLVKDONJSA-N 1 1 295.387 2.177 10 5 CEBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177101304 189028412 /nfs/dbraw/zinc/02/84/12/189028412.db2.gz SSYYWLDVXNXAPH-OAHLLOKOSA-N 1 1 286.335 2.456 10 5 CEBEMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183266419 368617480 /nfs/dbraw/zinc/61/74/80/368617480.db2.gz WMNYLOZGVKWNFX-CQSZACIVSA-N 1 1 291.351 2.004 10 5 CEBEMO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCCC[C@H]3C2)cs1 ZINC000246218471 370928788 /nfs/dbraw/zinc/92/87/88/370928788.db2.gz PYRIZBDFDIAUME-LBPRGKRZSA-N 1 1 281.381 2.326 10 5 CEBEMO CC[N@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000389446859 375304045 /nfs/dbraw/zinc/30/40/45/375304045.db2.gz PEWSHKUPANIRKP-LLVKDONJSA-N 1 1 283.759 2.432 10 5 CEBEMO CCN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000389446859 375304052 /nfs/dbraw/zinc/30/40/52/375304052.db2.gz PEWSHKUPANIRKP-LLVKDONJSA-N 1 1 283.759 2.432 10 5 CEBEMO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037333289 173134796 /nfs/dbraw/zinc/13/47/96/173134796.db2.gz VGXRVIIPPHORFH-UWVGGRQHSA-N 1 1 265.313 2.369 10 5 CEBEMO CC(C)C[N@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037335685 173136539 /nfs/dbraw/zinc/13/65/39/173136539.db2.gz QWACQAAJFNZBJJ-UHFFFAOYSA-N 1 1 250.298 2.365 10 5 CEBEMO CC(C)C[N@@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037335685 173136542 /nfs/dbraw/zinc/13/65/42/173136542.db2.gz QWACQAAJFNZBJJ-UHFFFAOYSA-N 1 1 250.298 2.365 10 5 CEBEMO CNc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000071191129 176067714 /nfs/dbraw/zinc/06/77/14/176067714.db2.gz JPRNXOMAWLZDMJ-ZDUSSCGKSA-N 1 1 292.383 2.020 10 5 CEBEMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000048558863 275036624 /nfs/dbraw/zinc/03/66/24/275036624.db2.gz IEBUTIODGHMMIE-GFCCVEGCSA-N 1 1 279.315 2.408 10 5 CEBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000048558863 275036625 /nfs/dbraw/zinc/03/66/25/275036625.db2.gz IEBUTIODGHMMIE-GFCCVEGCSA-N 1 1 279.315 2.408 10 5 CEBEMO CC[N@@H+](C)[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000302792855 276078693 /nfs/dbraw/zinc/07/86/93/276078693.db2.gz ZJVZVCRPLUIBKH-LBPRGKRZSA-N 1 1 263.341 2.434 10 5 CEBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000050791813 520330945 /nfs/dbraw/zinc/33/09/45/520330945.db2.gz WVFXCCWRZONEBF-LBPRGKRZSA-N 1 1 293.367 2.231 10 5 CEBEMO CCOC(=O)[C@](C)([NH3+])C[C@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000068650857 521330213 /nfs/dbraw/zinc/33/02/13/521330213.db2.gz YXNCOJNGNLAEDH-IINYFYTJSA-N 1 1 296.323 2.033 10 5 CEBEMO CC[C@H](C)[N@@H+](CCOC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816984 523939692 /nfs/dbraw/zinc/93/96/92/523939692.db2.gz NFOUITVTEINFGG-NSHDSACASA-N 1 1 281.356 2.424 10 5 CEBEMO O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[C@@H]1CCCCO1 ZINC000225830363 344548109 /nfs/dbraw/zinc/54/81/09/344548109.db2.gz GHIHKEOYKYFRNI-XHSDSOJGSA-N 1 1 290.363 2.333 10 5 CEBEMO O=[N+]([O-])C1C[N@H+](Cc2ccccc2)C[C@@H]1[C@@H]1CCCCO1 ZINC000225830363 344548111 /nfs/dbraw/zinc/54/81/11/344548111.db2.gz GHIHKEOYKYFRNI-XHSDSOJGSA-N 1 1 290.363 2.333 10 5 CEBEMO O=[N+]([O-])C1C[N@@H+](Cc2ccccc2)C[C@@H]1[C@@H]1CCCCO1 ZINC000225830363 344548114 /nfs/dbraw/zinc/54/81/14/344548114.db2.gz GHIHKEOYKYFRNI-XHSDSOJGSA-N 1 1 290.363 2.333 10 5 CEBEMO CC(C)[N@@H+](C)CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000054128165 362513411 /nfs/dbraw/zinc/51/34/11/362513411.db2.gz FTCFGCNORXIJON-UHFFFAOYSA-N 1 1 255.293 2.486 10 5 CEBEMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](CC)C1 ZINC000336842920 365917418 /nfs/dbraw/zinc/91/74/18/365917418.db2.gz VOAADAHNSUVCGZ-LLVKDONJSA-N 1 1 281.360 2.016 10 5 CEBEMO [NH3+]CC(F)(F)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000162694914 367181658 /nfs/dbraw/zinc/18/16/58/367181658.db2.gz ZFQNWIGSHOMFIS-UHFFFAOYSA-N 1 1 282.250 2.149 10 5 CEBEMO CC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290509 375301368 /nfs/dbraw/zinc/30/13/68/375301368.db2.gz XIVQTMMCIZTMMK-AAEUAGOBSA-N 1 1 263.341 2.340 10 5 CEBEMO CC[N@H+]1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290509 375301374 /nfs/dbraw/zinc/30/13/74/375301374.db2.gz XIVQTMMCIZTMMK-AAEUAGOBSA-N 1 1 263.341 2.340 10 5 CEBEMO Cc1ccc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000421370274 394514368 /nfs/dbraw/zinc/51/43/68/394514368.db2.gz IDLPRKODZNUAAI-WCQYABFASA-N 1 1 264.325 2.248 10 5 CEBEMO CC[C@@H](C)C[N@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037337021 173137864 /nfs/dbraw/zinc/13/78/64/173137864.db2.gz AFELWWCJQGDFMS-SECBINFHSA-N 1 1 253.302 2.084 10 5 CEBEMO CC[C@@H](C)C[N@@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037337021 173137866 /nfs/dbraw/zinc/13/78/66/173137866.db2.gz AFELWWCJQGDFMS-SECBINFHSA-N 1 1 253.302 2.084 10 5 CEBEMO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000061570043 518291134 /nfs/dbraw/zinc/29/11/34/518291134.db2.gz VMPYEQYSZANSSG-ZDUSSCGKSA-N 1 1 291.351 2.328 10 5 CEBEMO C[NH2+][C@H](C)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000261865226 623391194 /nfs/dbraw/zinc/39/11/94/623391194.db2.gz YFJPYBLTNZNTHA-SNVBAGLBSA-N 1 1 274.324 2.471 10 5 CEBEMO CC[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000134479661 344374903 /nfs/dbraw/zinc/37/49/03/344374903.db2.gz SYSTVKSZRIRNQK-ZDUSSCGKSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000134479661 344374904 /nfs/dbraw/zinc/37/49/04/344374904.db2.gz SYSTVKSZRIRNQK-ZDUSSCGKSA-N 1 1 279.340 2.036 10 5 CEBEMO C[C@H]([NH3+])c1nc(C(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000090948454 180071359 /nfs/dbraw/zinc/07/13/59/180071359.db2.gz XXFRRBUANCZUIA-ZETCQYMHSA-N 1 1 292.320 2.323 10 5 CEBEMO C[NH2+]CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000122224659 187021792 /nfs/dbraw/zinc/02/17/92/187021792.db2.gz VBRYLPCRGSBKFR-UHFFFAOYSA-N 1 1 260.297 2.083 10 5 CEBEMO CC(C)[N@@H+]1C[C@H](Nc2cc(N)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000193474364 369945306 /nfs/dbraw/zinc/94/53/06/369945306.db2.gz JGMQWNCLMCILKR-GWCFXTLKSA-N 1 1 278.356 2.318 10 5 CEBEMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000247027225 371050787 /nfs/dbraw/zinc/05/07/87/371050787.db2.gz NILAAJKOXLDAIE-ZYHUDNBSSA-N 1 1 278.356 2.439 10 5 CEBEMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261787069 371732644 /nfs/dbraw/zinc/73/26/44/371732644.db2.gz QABNPMMQPKQFSY-WVWOOGAGSA-N 1 1 275.352 2.325 10 5 CEBEMO CC[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000389350969 375303240 /nfs/dbraw/zinc/30/32/40/375303240.db2.gz LDEUXHZUWVNLGU-QMMMGPOBSA-N 1 1 293.352 2.106 10 5 CEBEMO CC(C)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000020145894 171032131 /nfs/dbraw/zinc/03/21/31/171032131.db2.gz AVYOUVSEVNGOQF-AWEZNQCLSA-N 1 1 265.357 2.271 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccccc1[N+](=O)[O-] ZINC000113248618 300316630 /nfs/dbraw/zinc/31/66/30/300316630.db2.gz NIMKFRUKCUHUET-NWDGAFQWSA-N 1 1 261.325 2.268 10 5 CEBEMO CC(C)[C@H](C[NH+](C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000049196976 519814570 /nfs/dbraw/zinc/81/45/70/519814570.db2.gz IVCLWFAZMBOCIB-AWEZNQCLSA-N 1 1 265.357 2.271 10 5 CEBEMO C[C@H](C[NH+]1CCCC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000049164125 524316405 /nfs/dbraw/zinc/31/64/05/524316405.db2.gz NZQVTUDAAWKWKL-CYBMUJFWSA-N 1 1 293.367 2.048 10 5 CEBEMO CC(C)Oc1nc(C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000584655998 344974078 /nfs/dbraw/zinc/97/40/78/344974078.db2.gz NZTSVCTYLCOZDN-UHFFFAOYSA-N 1 1 277.324 2.496 10 5 CEBEMO CC(C)c1nn(C)c(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000091582882 180199054 /nfs/dbraw/zinc/19/90/54/180199054.db2.gz ZVTCJWMENJJQES-NSHDSACASA-N 1 1 295.387 2.205 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000111170638 186365494 /nfs/dbraw/zinc/36/54/94/186365494.db2.gz PYRZQXVRJWGAAL-GFCCVEGCSA-N 1 1 293.367 2.495 10 5 CEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000176976813 189018106 /nfs/dbraw/zinc/01/81/06/189018106.db2.gz UISLYAQSYDQXST-AWEZNQCLSA-N 1 1 291.351 2.151 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000113269633 364882302 /nfs/dbraw/zinc/88/23/02/364882302.db2.gz VPHUQNHDAXZLLV-NWDGAFQWSA-N 1 1 293.342 2.402 10 5 CEBEMO O=[N+]([O-])c1c(F)cccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000096474809 285077156 /nfs/dbraw/zinc/07/71/56/285077156.db2.gz JIOSTZBVXVIIOX-SNVBAGLBSA-N 1 1 265.288 2.018 10 5 CEBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000298753236 285126252 /nfs/dbraw/zinc/12/62/52/285126252.db2.gz XAECANDAYMIUHX-AWEZNQCLSA-N 1 1 261.325 2.269 10 5 CEBEMO Cc1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000175105225 400287351 /nfs/dbraw/zinc/28/73/51/400287351.db2.gz KLMGMJUZARWXKZ-CYBMUJFWSA-N 1 1 261.325 2.188 10 5 CEBEMO CC(C)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000020145893 171031758 /nfs/dbraw/zinc/03/17/58/171031758.db2.gz AVYOUVSEVNGOQF-CQSZACIVSA-N 1 1 265.357 2.271 10 5 CEBEMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000040503212 174299719 /nfs/dbraw/zinc/29/97/19/174299719.db2.gz WIQFPNPSZJCHBL-SNVBAGLBSA-N 1 1 294.311 2.399 10 5 CEBEMO CCCc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1N ZINC000070425635 175922211 /nfs/dbraw/zinc/92/22/11/175922211.db2.gz VJAUPZMACBUUEM-UHFFFAOYSA-N 1 1 260.297 2.374 10 5 CEBEMO Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000261636320 274711010 /nfs/dbraw/zinc/71/10/10/274711010.db2.gz IFZQGEHNGYMECH-MFKMUULPSA-N 1 1 286.335 2.377 10 5 CEBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCSCC1 ZINC000050817839 527504664 /nfs/dbraw/zinc/50/46/64/527504664.db2.gz QQSHVEXKZBVFJZ-UHFFFAOYSA-N 1 1 267.354 2.116 10 5 CEBEMO CC[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000134479636 344374825 /nfs/dbraw/zinc/37/48/25/344374825.db2.gz SYSTVKSZRIRNQK-CYBMUJFWSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000134479636 344374826 /nfs/dbraw/zinc/37/48/26/344374826.db2.gz SYSTVKSZRIRNQK-CYBMUJFWSA-N 1 1 279.340 2.036 10 5 CEBEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595514982 345801499 /nfs/dbraw/zinc/80/14/99/345801499.db2.gz UYHIQPBDNKRPRF-RNCFNFMXSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595514982 345801501 /nfs/dbraw/zinc/80/15/01/345801501.db2.gz UYHIQPBDNKRPRF-RNCFNFMXSA-N 1 1 268.288 2.079 10 5 CEBEMO Cc1c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000091673150 180224160 /nfs/dbraw/zinc/22/41/60/180224160.db2.gz MGGIMCZRPQLZHP-CHWSQXEVSA-N 1 1 291.351 2.178 10 5 CEBEMO C[N@@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000111166089 186364092 /nfs/dbraw/zinc/36/40/92/186364092.db2.gz OMTOQHKFSBVCML-GFCCVEGCSA-N 1 1 292.335 2.136 10 5 CEBEMO C[N@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000111166089 186364094 /nfs/dbraw/zinc/36/40/94/186364094.db2.gz OMTOQHKFSBVCML-GFCCVEGCSA-N 1 1 292.335 2.136 10 5 CEBEMO CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000389765166 375308735 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10 5 CEBEMO CC[C@H]1CCC[N@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000037339512 173140278 /nfs/dbraw/zinc/14/02/78/173140278.db2.gz ZGNXCQZLPDWYHG-JTQLQIEISA-N 1 1 265.313 2.228 10 5 CEBEMO CC[C@H]1CCC[N@@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000037339512 173140279 /nfs/dbraw/zinc/14/02/79/173140279.db2.gz ZGNXCQZLPDWYHG-JTQLQIEISA-N 1 1 265.313 2.228 10 5 CEBEMO Cc1cc(N2CCC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228793569 274704701 /nfs/dbraw/zinc/70/47/01/274704701.db2.gz MFHYUJNHHKVYQN-UHFFFAOYSA-N 1 1 286.335 2.251 10 5 CEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261721569 290251598 /nfs/dbraw/zinc/25/15/98/290251598.db2.gz KGYSPLUUZYMPAM-DZGBDDFRSA-N 1 1 275.352 2.325 10 5 CEBEMO CC(C)C[N@H+](CCN(C)C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050814878 519716715 /nfs/dbraw/zinc/71/67/15/519716715.db2.gz MPOVUABGKAWCLT-UHFFFAOYSA-N 1 1 294.399 2.197 10 5 CEBEMO CC(C)C[N@@H+](CCN(C)C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050814878 519716716 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C[N@@H+](Cc1ccncc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814027 523461297 /nfs/dbraw/zinc/46/12/97/523461297.db2.gz UKYOYVNGZVSILA-UHFFFAOYSA-N 1 1 272.308 2.204 10 5 CEBEMO C[N@H+](Cc1ccoc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816779 523474745 /nfs/dbraw/zinc/47/47/45/523474745.db2.gz HUHXKPJGQWCSNF-UHFFFAOYSA-N 1 1 261.281 2.402 10 5 CEBEMO C[N@@H+](Cc1ccoc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816779 523474757 /nfs/dbraw/zinc/47/47/57/523474757.db2.gz HUHXKPJGQWCSNF-UHFFFAOYSA-N 1 1 261.281 2.402 10 5 CEBEMO C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000052926161 525536678 /nfs/dbraw/zinc/53/66/78/525536678.db2.gz RHALKVUYQOMSBP-TZMCWYRMSA-N 1 1 277.368 2.415 10 5 CEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261721573 629156307 /nfs/dbraw/zinc/15/63/07/629156307.db2.gz KGYSPLUUZYMPAM-WCUVEOEZSA-N 1 1 275.352 2.325 10 5 CEBEMO CC[N@@H+]1CCO[C@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC000134479575 344374950 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C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261787071 371731829 /nfs/dbraw/zinc/73/18/29/371731829.db2.gz QABNPMMQPKQFSY-XWUBHJNHSA-N 1 1 275.352 2.325 10 5 CEBEMO Cc1ccc(C[N@H+]2CC[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC000353674648 220248426 /nfs/dbraw/zinc/24/84/26/220248426.db2.gz SMBOVKBWWZLUPE-GFCCVEGCSA-N 1 1 264.325 2.108 10 5 CEBEMO CC[N@@H+](C)[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000302759983 394477334 /nfs/dbraw/zinc/47/73/34/394477334.db2.gz JTFIVBLJDNQYNL-VIFPVBQESA-N 1 1 285.294 2.403 10 5 CEBEMO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037333287 173134275 /nfs/dbraw/zinc/13/42/75/173134275.db2.gz VGXRVIIPPHORFH-AOOOYVTPSA-N 1 1 265.313 2.369 10 5 CEBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037333287 173134276 /nfs/dbraw/zinc/13/42/76/173134276.db2.gz VGXRVIIPPHORFH-AOOOYVTPSA-N 1 1 265.313 2.369 10 5 CEBEMO CC[N@@H+]1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000040502455 174298652 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CC(C)(C)NC(=O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000096832921 185115747 /nfs/dbraw/zinc/11/57/47/185115747.db2.gz GWTQNJCHULMPMT-UHFFFAOYSA-N 1 1 299.758 2.253 10 5 CEBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000595309155 345760127 /nfs/dbraw/zinc/76/01/27/345760127.db2.gz QLPJBNTXWSJXHT-ZDUSSCGKSA-N 1 1 282.315 2.471 10 5 CEBEMO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000110732236 186317651 /nfs/dbraw/zinc/31/76/51/186317651.db2.gz NYPYAXQVBKVKIL-VIFPVBQESA-N 1 1 297.742 2.024 10 5 CEBEMO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000110732236 186317652 /nfs/dbraw/zinc/31/76/52/186317652.db2.gz NYPYAXQVBKVKIL-VIFPVBQESA-N 1 1 297.742 2.024 10 5 CEBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1O ZINC000157228845 188305063 /nfs/dbraw/zinc/30/50/63/188305063.db2.gz AIIIOPPECMAOTP-GJZGRUSLSA-N 1 1 278.352 2.373 10 5 CEBEMO Nc1c([N+](=O)[O-])cc(C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000004343984 361313524 /nfs/dbraw/zinc/31/35/24/361313524.db2.gz YWFXWQAHHKWEOA-UHFFFAOYSA-N 1 1 280.284 2.071 10 5 CEBEMO Cc1c(CN2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000171638935 367583770 /nfs/dbraw/zinc/58/37/70/367583770.db2.gz VWDNBTCIQRGKFX-CQSZACIVSA-N 1 1 275.352 2.183 10 5 CEBEMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052761836 285159907 /nfs/dbraw/zinc/15/99/07/285159907.db2.gz GCNMYMRLXYJGPG-CYBMUJFWSA-N 1 1 264.325 2.332 10 5 CEBEMO Cc1ccc(N(C)C[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301837584 394466213 /nfs/dbraw/zinc/46/62/13/394466213.db2.gz YIILVGKUAIQOLP-LBPRGKRZSA-N 1 1 263.341 2.291 10 5 CEBEMO Cc1cc([N+](=O)[O-])ccc1NCCc1[nH+]ccn1C ZINC000040639713 174363917 /nfs/dbraw/zinc/36/39/17/174363917.db2.gz UVURYJIVSSPWJG-UHFFFAOYSA-N 1 1 260.297 2.291 10 5 CEBEMO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000040675961 174373312 /nfs/dbraw/zinc/37/33/12/174373312.db2.gz NMMFDFFFIODAEA-UKRRQHHQSA-N 1 1 291.395 2.457 10 5 CEBEMO CC(=O)c1ccc(N(C)C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000071189366 176064910 /nfs/dbraw/zinc/06/49/10/176064910.db2.gz QTAIHLNDNVAXBJ-GFCCVEGCSA-N 1 1 291.351 2.185 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000123018583 274375062 /nfs/dbraw/zinc/37/50/62/274375062.db2.gz AIYGVOZUTGLETC-NXEZZACHSA-N 1 1 296.758 2.316 10 5 CEBEMO CC[N@@H+](C)[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000302759982 276077521 /nfs/dbraw/zinc/07/75/21/276077521.db2.gz JTFIVBLJDNQYNL-SECBINFHSA-N 1 1 285.294 2.403 10 5 CEBEMO CC[N@H+]1CCC[C@H]1CN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC000178244217 276183790 /nfs/dbraw/zinc/18/37/90/276183790.db2.gz TUXUBZKDGSLCDG-LBPRGKRZSA-N 1 1 278.356 2.219 10 5 CEBEMO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000068651502 521156618 /nfs/dbraw/zinc/15/66/18/521156618.db2.gz YFKLOOMZKQWLDA-YGRLFVJLSA-N 1 1 296.323 2.033 10 5 CEBEMO CC[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000050814946 521323177 /nfs/dbraw/zinc/32/31/77/521323177.db2.gz MNCQLADETBRMDD-JTQLQIEISA-N 1 1 267.329 2.034 10 5 CEBEMO C[C@H](CCN(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726478 524162187 /nfs/dbraw/zinc/16/21/87/524162187.db2.gz MFITVSGFAHFNJE-GFCCVEGCSA-N 1 1 265.357 2.067 10 5 CEBEMO [NH3+][C@@H](c1nc(-c2ccccc2[N+](=O)[O-])no1)C1CC1 ZINC000054503235 527340200 /nfs/dbraw/zinc/34/02/00/527340200.db2.gz LLPBIYRWFKVDHQ-SNVBAGLBSA-N 1 1 260.253 2.055 10 5 CEBEMO C[C@H]1C[N@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000092086297 180320730 /nfs/dbraw/zinc/32/07/30/180320730.db2.gz MMJWSQACVOJFEL-PHIMTYICSA-N 1 1 262.309 2.365 10 5 CEBEMO C[C@H]1C[N@@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000092086297 180320733 /nfs/dbraw/zinc/32/07/33/180320733.db2.gz MMJWSQACVOJFEL-PHIMTYICSA-N 1 1 262.309 2.365 10 5 CEBEMO [NH3+]CC(F)(F)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000162695738 188585168 /nfs/dbraw/zinc/58/51/68/188585168.db2.gz ISIBMPGPMRGVTP-UHFFFAOYSA-N 1 1 282.250 2.149 10 5 CEBEMO CC[N@H+]1CCC[C@H]1CN(C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302026773 201306985 /nfs/dbraw/zinc/30/69/85/201306985.db2.gz IKOOOISTYRTPAM-ZDUSSCGKSA-N 1 1 293.367 2.008 10 5 CEBEMO O=[N+]([O-])c1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000172803323 367821784 /nfs/dbraw/zinc/82/17/84/367821784.db2.gz CUFBZNGOLBBMQU-OAHLLOKOSA-N 1 1 275.352 2.265 10 5 CEBEMO O=[N+]([O-])c1ccccc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000246202989 370926547 /nfs/dbraw/zinc/92/65/47/370926547.db2.gz NVPLZTFDYWXSAQ-AWEZNQCLSA-N 1 1 275.352 2.265 10 5 CEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000192478170 369818067 /nfs/dbraw/zinc/81/80/67/369818067.db2.gz NLDZLCPSOAMJEO-NXEZZACHSA-N 1 1 282.369 2.114 10 5 CEBEMO Cc1c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261796228 371733806 /nfs/dbraw/zinc/73/38/06/371733806.db2.gz QUXGMRXSHMPGRY-BFHYXJOUSA-N 1 1 275.352 2.072 10 5 CEBEMO CCOc1cc(N[C@@H]2CC[N@@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000389249886 375300228 /nfs/dbraw/zinc/30/02/28/375300228.db2.gz GCXULVIYBUVVTG-GFCCVEGCSA-N 1 1 279.340 2.500 10 5 CEBEMO CC[N@@H+]1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389293464 375301116 /nfs/dbraw/zinc/30/11/16/375301116.db2.gz YAPKHFVASFADIO-ZDUSSCGKSA-N 1 1 263.341 2.087 10 5 CEBEMO CC[N@H+]1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389293464 375301123 /nfs/dbraw/zinc/30/11/23/375301123.db2.gz YAPKHFVASFADIO-ZDUSSCGKSA-N 1 1 263.341 2.087 10 5 CEBEMO CC[N@@H+]1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000040502986 174299574 /nfs/dbraw/zinc/29/95/74/174299574.db2.gz JSBQKHZAYBJMLK-LLVKDONJSA-N 1 1 269.370 2.230 10 5 CEBEMO CC[N@H+]1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000040502986 174299575 /nfs/dbraw/zinc/29/95/75/174299575.db2.gz JSBQKHZAYBJMLK-LLVKDONJSA-N 1 1 269.370 2.230 10 5 CEBEMO CC[NH+](CC)C[C@@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000062726548 520720833 /nfs/dbraw/zinc/72/08/33/520720833.db2.gz RQSKBWYPZGFMIE-CYBMUJFWSA-N 1 1 279.384 2.457 10 5 CEBEMO CC[C@@H](C)[N@@H+](CCOC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816983 522092212 /nfs/dbraw/zinc/09/22/12/522092212.db2.gz NFOUITVTEINFGG-LLVKDONJSA-N 1 1 281.356 2.424 10 5 CEBEMO CC(C)[C@@H](C[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1 ZINC000049196978 519793670 /nfs/dbraw/zinc/79/36/70/519793670.db2.gz BCBCHQQBODVCRE-CQSZACIVSA-N 1 1 265.357 2.271 10 5 CEBEMO CCCNc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000050817192 520158134 /nfs/dbraw/zinc/15/81/34/520158134.db2.gz XRVGLXKVBHQEDE-ZDUSSCGKSA-N 1 1 293.367 2.373 10 5 CEBEMO CCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050818024 520526318 /nfs/dbraw/zinc/52/63/18/520526318.db2.gz MXGXLUTXPHGEAB-ZDUSSCGKSA-N 1 1 279.340 2.178 10 5 CEBEMO C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000050813273 523263665 /nfs/dbraw/zinc/26/36/65/523263665.db2.gz ZIGNTJKVHWTHOY-JTQLQIEISA-N 1 1 267.354 2.114 10 5 CEBEMO C[C@H](CN1CCCC1)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049164323 524316338 /nfs/dbraw/zinc/31/63/38/524316338.db2.gz MGEYLZMIYIKPCF-LLVKDONJSA-N 1 1 281.331 2.308 10 5 CEBEMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1Br ZINC000309095674 624537447 /nfs/dbraw/zinc/53/74/47/624537447.db2.gz CRDLAZBWVWQEDH-QMMMGPOBSA-N 1 1 273.130 2.376 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172082807 639742864 /nfs/dbraw/zinc/74/28/64/639742864.db2.gz ATARPWYVPMLJIY-SMDDNHRTSA-N 1 1 293.342 2.402 10 5 CEBEMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325506 346821509 /nfs/dbraw/zinc/82/15/09/346821509.db2.gz DJKITONJSFTQCJ-UTUOFQBUSA-N 1 1 263.341 2.182 10 5 CEBEMO CC[N@@H+]1CCO[C@@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC000134479602 344374789 /nfs/dbraw/zinc/37/47/89/344374789.db2.gz QYDIGYHBGSFXSA-LBPRGKRZSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC000134479602 344374791 /nfs/dbraw/zinc/37/47/91/344374791.db2.gz QYDIGYHBGSFXSA-LBPRGKRZSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@@H+]1CCO[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134480452 344374946 /nfs/dbraw/zinc/37/49/46/344374946.db2.gz KBGGDXZLCUCLOK-NSHDSACASA-N 1 1 299.758 2.381 10 5 CEBEMO CC[N@H+]1CCO[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134480452 344374947 /nfs/dbraw/zinc/37/49/47/344374947.db2.gz KBGGDXZLCUCLOK-NSHDSACASA-N 1 1 299.758 2.381 10 5 CEBEMO CC(C)Oc1cc(C2=CC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000150271336 344416984 /nfs/dbraw/zinc/41/69/84/344416984.db2.gz JOERYONJEKGEMI-UHFFFAOYSA-N 1 1 277.324 2.496 10 5 CEBEMO CC[N@H+]1CCC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401151392 344866600 /nfs/dbraw/zinc/86/66/00/344866600.db2.gz FKJBBWWWCBBISA-JTQLQIEISA-N 1 1 268.292 2.025 10 5 CEBEMO CCCc1nn(C)c(NC[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000091576567 180197817 /nfs/dbraw/zinc/19/78/17/180197817.db2.gz GIMJBLCQLZLTNQ-LLVKDONJSA-N 1 1 295.387 2.177 10 5 CEBEMO O=[N+]([O-])c1cccc(F)c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000246154712 370917141 /nfs/dbraw/zinc/91/71/41/370917141.db2.gz GWBPDEGVHWUCLH-LBPRGKRZSA-N 1 1 293.342 2.404 10 5 CEBEMO CC[N@H+]1CCC[C@H](NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040502977 174299688 /nfs/dbraw/zinc/29/96/88/174299688.db2.gz NQWQCVVKPXSXBS-NSHDSACASA-N 1 1 299.321 2.447 10 5 CEBEMO CCN1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040502977 174299689 /nfs/dbraw/zinc/29/96/89/174299689.db2.gz NQWQCVVKPXSXBS-NSHDSACASA-N 1 1 299.321 2.447 10 5 CEBEMO CCCc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1CO ZINC000070424752 175920613 /nfs/dbraw/zinc/92/06/13/175920613.db2.gz WSBXUSIUUZXTKH-UHFFFAOYSA-N 1 1 261.281 2.225 10 5 CEBEMO CC(C)[C@@H](CN(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000049199348 519793770 /nfs/dbraw/zinc/79/37/70/519793770.db2.gz KTIUGBQUSJRUFT-LLVKDONJSA-N 1 1 271.386 2.332 10 5 CEBEMO COc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000054241809 522981741 /nfs/dbraw/zinc/98/17/41/522981741.db2.gz WWBVWBROJWWALC-LLVKDONJSA-N 1 1 279.340 2.357 10 5 CEBEMO C[N@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050814028 523462838 /nfs/dbraw/zinc/46/28/38/523462838.db2.gz PJWNIHSIBOBGFR-UHFFFAOYSA-N 1 1 272.308 2.204 10 5 CEBEMO C[N@@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050814028 523462843 /nfs/dbraw/zinc/46/28/43/523462843.db2.gz PJWNIHSIBOBGFR-UHFFFAOYSA-N 1 1 272.308 2.204 10 5 CEBEMO [NH3+][C@H](c1nc(-c2ccccc2[N+](=O)[O-])no1)C1CC1 ZINC000054503236 527392599 /nfs/dbraw/zinc/39/25/99/527392599.db2.gz LLPBIYRWFKVDHQ-JTQLQIEISA-N 1 1 260.253 2.055 10 5 CEBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](CCO)C2)c1 ZINC000227571882 643360281 /nfs/dbraw/zinc/36/02/81/643360281.db2.gz SBRPLPYWHOVBBT-JTQLQIEISA-N 1 1 284.743 2.453 10 5 CEBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](CCO)C2)c1 ZINC000227571882 643360284 /nfs/dbraw/zinc/36/02/84/643360284.db2.gz SBRPLPYWHOVBBT-JTQLQIEISA-N 1 1 284.743 2.453 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CCOCC1 ZINC000111170851 186365643 /nfs/dbraw/zinc/36/56/43/186365643.db2.gz KGKFZQQSFCRNLV-UHFFFAOYSA-N 1 1 293.367 2.495 10 5 CEBEMO CC[N@H+]1CCC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000070496003 363090917 /nfs/dbraw/zinc/09/09/17/363090917.db2.gz XOGZOXLPAZDNQE-LLVKDONJSA-N 1 1 264.329 2.194 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000113269198 364882356 /nfs/dbraw/zinc/88/23/56/364882356.db2.gz LSNMZBNHZGCBRM-IUODEOHRSA-N 1 1 275.352 2.263 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000113269200 364882479 /nfs/dbraw/zinc/88/24/79/364882479.db2.gz LSNMZBNHZGCBRM-SWLSCSKDSA-N 1 1 275.352 2.263 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000247481724 371114697 /nfs/dbraw/zinc/11/46/97/371114697.db2.gz SSDJMYVFFZYBQN-JSGCOSHPSA-N 1 1 275.352 2.263 10 5 CEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000249214992 371306323 /nfs/dbraw/zinc/30/63/23/371306323.db2.gz DSFMFPLZUNBNEI-RKDXNWHRSA-N 1 1 270.358 2.192 10 5 CEBEMO Cc1cc(N[C@H](C)[C@@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000381850641 375179508 /nfs/dbraw/zinc/17/95/08/375179508.db2.gz ZHPQOYRSXGIIGK-NXEZZACHSA-N 1 1 274.324 2.021 10 5 CEBEMO CC[N@@H+]1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389293458 375300714 /nfs/dbraw/zinc/30/07/14/375300714.db2.gz YAPKHFVASFADIO-CYBMUJFWSA-N 1 1 263.341 2.087 10 5 CEBEMO CC[N@H+]1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389293458 375300717 /nfs/dbraw/zinc/30/07/17/375300717.db2.gz YAPKHFVASFADIO-CYBMUJFWSA-N 1 1 263.341 2.087 10 5 CEBEMO CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000328169655 376846192 /nfs/dbraw/zinc/84/61/92/376846192.db2.gz JSWNFUXZOXOPOT-VIFPVBQESA-N 1 1 253.277 2.240 10 5 CEBEMO CC[N@@H+](C)[C@@H]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000302791690 394476980 /nfs/dbraw/zinc/47/69/80/394476980.db2.gz YOKVULNJJCKDKZ-SNVBAGLBSA-N 1 1 297.330 2.273 10 5 CEBEMO CC[C@H](C)C[N@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037337023 173137679 /nfs/dbraw/zinc/13/76/79/173137679.db2.gz AFELWWCJQGDFMS-VIFPVBQESA-N 1 1 253.302 2.084 10 5 CEBEMO CC[C@H](C)C[N@@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037337023 173137682 /nfs/dbraw/zinc/13/76/82/173137682.db2.gz AFELWWCJQGDFMS-VIFPVBQESA-N 1 1 253.302 2.084 10 5 CEBEMO C[NH2+][C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000122234617 273974993 /nfs/dbraw/zinc/97/49/93/273974993.db2.gz IDZXPFVMXZLAST-NSHDSACASA-N 1 1 286.335 2.250 10 5 CEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000192477740 274862479 /nfs/dbraw/zinc/86/24/79/274862479.db2.gz LQRMIHOGVSAXQH-JTQLQIEISA-N 1 1 293.352 2.225 10 5 CEBEMO CC[N@@H+](Cc1ccc(NC)c([N+](=O)[O-])c1)[C@H](C)COC ZINC000050814977 521323008 /nfs/dbraw/zinc/32/30/08/521323008.db2.gz KVTFYUMKTSOUPC-LLVKDONJSA-N 1 1 281.356 2.493 10 5 CEBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CO ZINC000050817107 520330235 /nfs/dbraw/zinc/33/02/35/520330235.db2.gz GSPHXUQPCGMGFA-CQSZACIVSA-N 1 1 293.367 2.373 10 5 CEBEMO CNc1ccc(C[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000050792784 522607951 /nfs/dbraw/zinc/60/79/51/522607951.db2.gz PUXMGUSBRCRFBL-UHFFFAOYSA-N 1 1 292.383 2.163 10 5 CEBEMO CNc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000050792784 522607959 /nfs/dbraw/zinc/60/79/59/522607959.db2.gz PUXMGUSBRCRFBL-UHFFFAOYSA-N 1 1 292.383 2.163 10 5 CEBEMO C[N@H+]1CCC[C@H]1CCOc1ccc([N+](=O)[O-])cc1N ZINC000052841791 523850477 /nfs/dbraw/zinc/85/04/77/523850477.db2.gz RZDCAQWZDWKQCF-JTQLQIEISA-N 1 1 265.313 2.040 10 5 CEBEMO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1[N+](=O)[O-] ZINC000062727100 527147481 /nfs/dbraw/zinc/14/74/81/527147481.db2.gz IVBSALMNOCKZNG-AGUYFDCRSA-N 1 1 275.352 2.091 10 5 CEBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCC[C@@H]1CCCO ZINC000062727303 527397700 /nfs/dbraw/zinc/39/77/00/527397700.db2.gz PINRZDGFZOYPJF-CQSZACIVSA-N 1 1 278.352 2.374 10 5 CEBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601327598 346822139 /nfs/dbraw/zinc/82/21/39/346822139.db2.gz XIBCVADMUTXTCM-MDZLAQPJSA-N 1 1 263.341 2.182 10 5 CEBEMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C ZINC000091557607 180190797 /nfs/dbraw/zinc/19/07/97/180190797.db2.gz BXPYWIRMEFYSKZ-NSHDSACASA-N 1 1 281.360 2.016 10 5 CEBEMO CCCc1nn(C)c(NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000091583650 180199619 /nfs/dbraw/zinc/19/96/19/180199619.db2.gz IGSGXCKWYLZHIW-LLVKDONJSA-N 1 1 295.387 2.035 10 5 CEBEMO Cc1cc(NC[C@@H]2CCCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000092027060 180308608 /nfs/dbraw/zinc/30/86/08/180308608.db2.gz OARNFFXNDMKQHD-NSHDSACASA-N 1 1 264.329 2.194 10 5 CEBEMO [NH3+][C@H]1C(=O)Nc2cc(Oc3cccc([N+](=O)[O-])c3)ccc21 ZINC000109576021 186263489 /nfs/dbraw/zinc/26/34/89/186263489.db2.gz BDPZIDOJGLEDHA-CYBMUJFWSA-N 1 1 285.259 2.339 10 5 CEBEMO Cc1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000179546935 189201310 /nfs/dbraw/zinc/20/13/10/189201310.db2.gz VFBJZFAUEORUNG-CQSZACIVSA-N 1 1 275.352 2.183 10 5 CEBEMO CC[N@H+]1CCCC[C@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302080221 201336389 /nfs/dbraw/zinc/33/63/89/201336389.db2.gz ZWHFBAFCBNTQLN-ZDUSSCGKSA-N 1 1 293.367 2.373 10 5 CEBEMO O=[N+]([O-])c1ccc(Cl)nc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094442699 135088908 /nfs/dbraw/zinc/08/89/08/135088908.db2.gz LJCXZXPYAONLQK-SNVBAGLBSA-N 1 1 296.758 2.318 10 5 CEBEMO O=[N+]([O-])c1ccc(Cl)nc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094442699 135088909 /nfs/dbraw/zinc/08/89/09/135088909.db2.gz LJCXZXPYAONLQK-SNVBAGLBSA-N 1 1 296.758 2.318 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccccc1[N+](=O)[O-] ZINC000113248615 274374493 /nfs/dbraw/zinc/37/44/93/274374493.db2.gz NIMKFRUKCUHUET-VXGBXAGGSA-N 1 1 261.325 2.268 10 5 CEBEMO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000235377723 274712882 /nfs/dbraw/zinc/71/28/82/274712882.db2.gz BDJGBUDWWILKKB-RNCFNFMXSA-N 1 1 286.335 2.235 10 5 CEBEMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000171939423 275038973 /nfs/dbraw/zinc/03/89/73/275038973.db2.gz IBYDZOVXPSLKBN-CQSZACIVSA-N 1 1 298.346 2.427 10 5 CEBEMO Cc1cc(N[C@@H](C)C[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000122229257 279778365 /nfs/dbraw/zinc/77/83/65/279778365.db2.gz UHMRRJBYCSYFSB-VIFPVBQESA-N 1 1 260.297 2.211 10 5 CEBEMO Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000381850659 321837285 /nfs/dbraw/zinc/83/72/85/321837285.db2.gz ZHPQOYRSXGIIGK-ZJUUUORDSA-N 1 1 274.324 2.021 10 5 CEBEMO CC[N@@H+](CCOC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816670 521134049 /nfs/dbraw/zinc/13/40/49/521134049.db2.gz GNQNHEJQPFDSBP-UHFFFAOYSA-N 1 1 267.329 2.105 10 5 CEBEMO COc1cc(C[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])ccn1 ZINC000062070266 522464341 /nfs/dbraw/zinc/46/43/41/522464341.db2.gz HZFRYWVPLWKURY-UHFFFAOYSA-N 1 1 291.282 2.427 10 5 CEBEMO Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000295115330 199352909 /nfs/dbraw/zinc/35/29/09/199352909.db2.gz WPPLPADNLKYYJJ-RISCZKNCSA-N 1 1 264.325 2.248 10 5 CEBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000595309154 345760135 /nfs/dbraw/zinc/76/01/35/345760135.db2.gz QLPJBNTXWSJXHT-CYBMUJFWSA-N 1 1 282.315 2.471 10 5 CEBEMO Cc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000245786045 370873830 /nfs/dbraw/zinc/87/38/30/370873830.db2.gz VFBJZFAUEORUNG-AWEZNQCLSA-N 1 1 275.352 2.183 10 5 CEBEMO CC[N@H+]1CCC[C@@H]1CN(C)c1cc(N)ccc1[N+](=O)[O-] ZINC000193463277 369944418 /nfs/dbraw/zinc/94/44/18/369944418.db2.gz UYHJKLPQSAJLJC-GFCCVEGCSA-N 1 1 278.356 2.098 10 5 CEBEMO Cc1ccc(C[N@H+]2CC[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC000353674649 220247936 /nfs/dbraw/zinc/24/79/36/220247936.db2.gz SMBOVKBWWZLUPE-LBPRGKRZSA-N 1 1 264.325 2.108 10 5 CEBEMO CC[N@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000389350967 375303595 /nfs/dbraw/zinc/30/35/95/375303595.db2.gz LDEUXHZUWVNLGU-MRVPVSSYSA-N 1 1 293.352 2.106 10 5 CEBEMO CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000328169654 376845867 /nfs/dbraw/zinc/84/58/67/376845867.db2.gz JSWNFUXZOXOPOT-SECBINFHSA-N 1 1 253.277 2.240 10 5 CEBEMO Cc1c(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000296444416 378534673 /nfs/dbraw/zinc/53/46/73/378534673.db2.gz WRGDQISWEOTJTF-SMDDNHRTSA-N 1 1 264.325 2.248 10 5 CEBEMO CC[N@@H+](C)[C@@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000302792365 379453285 /nfs/dbraw/zinc/45/32/85/379453285.db2.gz ZCJJPLQTPIDXFN-CYBMUJFWSA-N 1 1 291.351 2.328 10 5 CEBEMO CC[N@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)CC(C)C ZINC000037336277 173136649 /nfs/dbraw/zinc/13/66/49/173136649.db2.gz GRFDBJQLVGDZFE-UHFFFAOYSA-N 1 1 253.302 2.084 10 5 CEBEMO CC[N@@H+](CCC(=O)OC)CCc1ccccc1[N+](=O)[O-] ZINC000062727257 520990280 /nfs/dbraw/zinc/99/02/80/520990280.db2.gz HOHNGCLWFKXNMA-UHFFFAOYSA-N 1 1 280.324 2.022 10 5 CEBEMO CC[N@@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C(C)C ZINC000051147300 521322430 /nfs/dbraw/zinc/32/24/30/521322430.db2.gz XLJUBJXGDMWRNA-UHFFFAOYSA-N 1 1 252.318 2.111 10 5 CEBEMO C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000050815040 523262334 /nfs/dbraw/zinc/26/23/34/523262334.db2.gz LCDQFEAFWJMCJJ-GFCCVEGCSA-N 1 1 279.340 2.178 10 5 CEBEMO COc1ccc(C[NH2+][C@@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000049180440 524074261 /nfs/dbraw/zinc/07/42/61/524074261.db2.gz CNSWMJZJKLHJCO-LBPRGKRZSA-N 1 1 293.367 2.177 10 5 CEBEMO Cc1c(CN[C@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000049164363 525726794 /nfs/dbraw/zinc/72/67/94/525726794.db2.gz ZJCWXLIOFAWCCV-GFCCVEGCSA-N 1 1 277.368 2.477 10 5 CEBEMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1Br ZINC000309095673 624537195 /nfs/dbraw/zinc/53/71/95/624537195.db2.gz CRDLAZBWVWQEDH-MRVPVSSYSA-N 1 1 273.130 2.376 10 5 CEBEMO Cc1cc(NC[C@H]2CCCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000092027061 180308778 /nfs/dbraw/zinc/30/87/78/180308778.db2.gz OARNFFXNDMKQHD-LLVKDONJSA-N 1 1 264.329 2.194 10 5 CEBEMO C[N@H+]1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108643720 186224876 /nfs/dbraw/zinc/22/48/76/186224876.db2.gz VGDDGGKDJULVIQ-JTQLQIEISA-N 1 1 253.277 2.240 10 5 CEBEMO Cc1cc([N+](=O)[O-])c(/C=C/[NH+](C)C)cc1[N+](=O)[O-] ZINC000575601990 366298633 /nfs/dbraw/zinc/29/86/33/366298633.db2.gz UBXFGWATQDZBRV-SNAWJCMRSA-N 1 1 251.242 2.344 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000113267142 364880608 /nfs/dbraw/zinc/88/06/08/364880608.db2.gz IBFLBDCTXNJKBM-SWLSCSKDSA-N 1 1 275.352 2.263 10 5 CEBEMO C[C@@H]1COC[C@H](C)[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000120933243 365496549 /nfs/dbraw/zinc/49/65/49/365496549.db2.gz ZAMXSGMSJZUNNA-BETUJISGSA-N 1 1 294.351 2.473 10 5 CEBEMO Cc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000175105163 400287311 /nfs/dbraw/zinc/28/73/11/400287311.db2.gz GLRFZESILSUYLI-GFCCVEGCSA-N 1 1 261.325 2.188 10 5 CEBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](CCO)C1 ZINC000227569278 153346057 /nfs/dbraw/zinc/34/60/57/153346057.db2.gz VIMFCYHFCQUUCA-SNVBAGLBSA-N 1 1 284.743 2.453 10 5 CEBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000227569278 153346062 /nfs/dbraw/zinc/34/60/62/153346062.db2.gz VIMFCYHFCQUUCA-SNVBAGLBSA-N 1 1 284.743 2.453 10 5 CEBEMO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037334570 173135358 /nfs/dbraw/zinc/13/53/58/173135358.db2.gz JHKBSSAUPXYTIZ-SNVBAGLBSA-N 1 1 265.313 2.370 10 5 CEBEMO CC[C@@H]1CCCC[N@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037334570 173135360 /nfs/dbraw/zinc/13/53/60/173135360.db2.gz JHKBSSAUPXYTIZ-SNVBAGLBSA-N 1 1 265.313 2.370 10 5 CEBEMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000246069657 275039056 /nfs/dbraw/zinc/03/90/56/275039056.db2.gz IBYDZOVXPSLKBN-AWEZNQCLSA-N 1 1 298.346 2.427 10 5 CEBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171701498 280097866 /nfs/dbraw/zinc/09/78/66/280097866.db2.gz AWHJAWSLWHVGSA-AWEZNQCLSA-N 1 1 287.323 2.023 10 5 CEBEMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052841396 519686799 /nfs/dbraw/zinc/68/67/99/519686799.db2.gz BLWDDHROTYMAKA-NSHDSACASA-N 1 1 278.356 2.319 10 5 CEBEMO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049204899 519793720 /nfs/dbraw/zinc/79/37/20/519793720.db2.gz ABBGZZBFVNJTHE-CYBMUJFWSA-N 1 1 283.347 2.410 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000050815913 522644460 /nfs/dbraw/zinc/64/44/60/522644460.db2.gz ZOMSLGNQOXUYLL-ZDUSSCGKSA-N 1 1 279.340 2.247 10 5 CEBEMO COCC[N@@H+](C)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000061379446 523612856 /nfs/dbraw/zinc/61/28/56/523612856.db2.gz CQPUOUSOAZPDOG-UHFFFAOYSA-N 1 1 287.747 2.238 10 5 CEBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CN(C)C)C(C)C ZINC000049205588 525464334 /nfs/dbraw/zinc/46/43/34/525464334.db2.gz IXLBCTPAVZZBRU-CQSZACIVSA-N 1 1 295.383 2.279 10 5 CEBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052761955 527349574 /nfs/dbraw/zinc/34/95/74/527349574.db2.gz DEHIYFXHKDIYOV-CYBMUJFWSA-N 1 1 264.325 2.332 10 5 CEBEMO CC[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000134430955 344374068 /nfs/dbraw/zinc/37/40/68/344374068.db2.gz LOUDKDHZZGQSOS-NSHDSACASA-N 1 1 299.758 2.381 10 5 CEBEMO CC[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000134430955 344374070 /nfs/dbraw/zinc/37/40/70/344374070.db2.gz LOUDKDHZZGQSOS-NSHDSACASA-N 1 1 299.758 2.381 10 5 CEBEMO CC(C)Oc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1 ZINC000140332823 344397723 /nfs/dbraw/zinc/39/77/23/344397723.db2.gz PGAMTQWHIRRGME-UHFFFAOYSA-N 1 1 279.340 2.134 10 5 CEBEMO CN1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000086818876 179348019 /nfs/dbraw/zinc/34/80/19/179348019.db2.gz MECPGFPFQSAVOG-CQSZACIVSA-N 1 1 277.368 2.211 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000113269008 364882270 /nfs/dbraw/zinc/88/22/70/364882270.db2.gz SSDJMYVFFZYBQN-TZMCWYRMSA-N 1 1 275.352 2.263 10 5 CEBEMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000192477751 369818009 /nfs/dbraw/zinc/81/80/09/369818009.db2.gz LQRMIHOGVSAXQH-SNVBAGLBSA-N 1 1 293.352 2.225 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000246988461 371042665 /nfs/dbraw/zinc/04/26/65/371042665.db2.gz FEAWEJRRZCYVDL-JQWIXIFHSA-N 1 1 281.381 2.325 10 5 CEBEMO CC(C)[C@H](C)[N@@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037338994 173140298 /nfs/dbraw/zinc/14/02/98/173140298.db2.gz SRMKNFYUVKDOJT-VIFPVBQESA-N 1 1 253.302 2.082 10 5 CEBEMO C[N@@H+]1CCC[C@@H](NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040673166 174370992 /nfs/dbraw/zinc/37/09/92/174370992.db2.gz DLQKURXJVFHFSZ-SNVBAGLBSA-N 1 1 285.294 2.057 10 5 CEBEMO C[N@H+]1CCC[C@@H](NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040673166 174370993 /nfs/dbraw/zinc/37/09/93/174370993.db2.gz DLQKURXJVFHFSZ-SNVBAGLBSA-N 1 1 285.294 2.057 10 5 CEBEMO Cc1cc(N2CC[C@@H](C[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122223503 274709236 /nfs/dbraw/zinc/70/92/36/274709236.db2.gz BEGBMJVDRIMUEB-NSHDSACASA-N 1 1 286.335 2.236 10 5 CEBEMO O=[N+]([O-])c1cc(F)c(N2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000246489994 275033696 /nfs/dbraw/zinc/03/36/96/275033696.db2.gz HBQZKNRSBIAUSU-VIFPVBQESA-N 1 1 283.278 2.157 10 5 CEBEMO CCNc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000050817104 520300932 /nfs/dbraw/zinc/30/09/32/520300932.db2.gz KHMBSKAJQCSTAQ-ZDUSSCGKSA-N 1 1 293.367 2.373 10 5 CEBEMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)[C@@H]1CCSC1 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C[C@H]1C[NH+](CC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000092086298 180320065 /nfs/dbraw/zinc/32/00/65/180320065.db2.gz MMJWSQACVOJFEL-QWRGUYRKSA-N 1 1 262.309 2.365 10 5 CEBEMO CC[NH2+]CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000122224951 187022095 /nfs/dbraw/zinc/02/20/95/187022095.db2.gz WJQCSDHTRSYDDX-UHFFFAOYSA-N 1 1 274.324 2.473 10 5 CEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000176975602 189017845 /nfs/dbraw/zinc/01/78/45/189017845.db2.gz SGEIVFCOTKNWSP-NSHDSACASA-N 1 1 297.380 2.213 10 5 CEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302062087 201327043 /nfs/dbraw/zinc/32/70/43/201327043.db2.gz SHYUGMAEWIZVFE-RISCZKNCSA-N 1 1 293.367 2.228 10 5 CEBEMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183266391 368618023 /nfs/dbraw/zinc/61/80/23/368618023.db2.gz WMNYLOZGVKWNFX-AWEZNQCLSA-N 1 1 291.351 2.004 10 5 CEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193474348 369945948 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[NH3+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000054502935 527392635 /nfs/dbraw/zinc/39/26/35/527392635.db2.gz IFNWRNUQSROURS-JTQLQIEISA-N 1 1 260.253 2.055 10 5 CEBEMO Cc1cnc(NC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000090692236 180024750 /nfs/dbraw/zinc/02/47/50/180024750.db2.gz RYESBDLVDHQTBL-NSHDSACASA-N 1 1 264.329 2.194 10 5 CEBEMO [NH3+][C@@H]1C(=O)Nc2cc(Oc3cccc([N+](=O)[O-])c3)ccc21 ZINC000109576024 186263638 /nfs/dbraw/zinc/26/36/38/186263638.db2.gz BDPZIDOJGLEDHA-ZDUSSCGKSA-N 1 1 285.259 2.339 10 5 CEBEMO C[C@@H]([NH3+])c1nnc(-c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000111011410 186343520 /nfs/dbraw/zinc/34/35/20/186343520.db2.gz ACPRSHZBRCGQPN-RXMQYKEDSA-N 1 1 268.660 2.318 10 5 CEBEMO O=[N+]([O-])c1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000267052677 190300187 /nfs/dbraw/zinc/30/01/87/190300187.db2.gz REEPUBAGZHVTJM-CYBMUJFWSA-N 1 1 279.315 2.014 10 5 CEBEMO Cn1cc[nH+]c1CCNc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000094355852 184788063 /nfs/dbraw/zinc/78/80/63/184788063.db2.gz DXWJWPOYCBTAAC-UHFFFAOYSA-N 1 1 287.279 2.124 10 5 CEBEMO CCC[C@H](C)[N@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037339246 173140385 /nfs/dbraw/zinc/14/03/85/173140385.db2.gz VEERGNKXUJCQBL-VIFPVBQESA-N 1 1 253.302 2.226 10 5 CEBEMO CCC[C@H](C)[N@@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037339246 173140386 /nfs/dbraw/zinc/14/03/86/173140386.db2.gz VEERGNKXUJCQBL-VIFPVBQESA-N 1 1 253.302 2.226 10 5 CEBEMO CC[N@@H+]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000040502457 174299307 /nfs/dbraw/zinc/29/93/07/174299307.db2.gz GLHPAWNJUDOHCZ-ZDUSSCGKSA-N 1 1 263.341 2.169 10 5 CEBEMO CC[N@H+]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000040502457 174299308 /nfs/dbraw/zinc/29/93/08/174299308.db2.gz GLHPAWNJUDOHCZ-ZDUSSCGKSA-N 1 1 263.341 2.169 10 5 CEBEMO C[N@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000061986120 175660316 /nfs/dbraw/zinc/66/03/16/175660316.db2.gz JLMOQMFLDSGWGH-MRVPVSSYSA-N 1 1 255.705 2.364 10 5 CEBEMO CCNc1ccc(C[N@@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000050817513 520299302 /nfs/dbraw/zinc/29/93/02/520299302.db2.gz RETBJLJHASEYJS-UHFFFAOYSA-N 1 1 267.329 2.105 10 5 CEBEMO CNc1ccc(C[N@@H+](C)[C@H](C)COC)cc1[N+](=O)[O-] ZINC000050815218 522605985 /nfs/dbraw/zinc/60/59/85/522605985.db2.gz RBDKXSWYPHLBAX-SNVBAGLBSA-N 1 1 267.329 2.103 10 5 CEBEMO CNc1ccc(C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000050791869 522609723 /nfs/dbraw/zinc/60/97/23/522609723.db2.gz QEJIVOCWZHPXNZ-UHFFFAOYSA-N 1 1 267.354 2.185 10 5 CEBEMO CN(C)CC(C)(C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726155 524046416 /nfs/dbraw/zinc/04/64/16/524046416.db2.gz HTNCMEMUDLOHEO-UHFFFAOYSA-N 1 1 279.384 2.315 10 5 CEBEMO C[C@H]([NH2+]Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000054766493 525476461 /nfs/dbraw/zinc/47/64/61/525476461.db2.gz NPCGENRWDVJFAA-JTQLQIEISA-N 1 1 258.281 2.236 10 5 CEBEMO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000050565948 525639224 /nfs/dbraw/zinc/63/92/24/525639224.db2.gz INNSKLCANFFXCM-VHSXEESVSA-N 1 1 265.313 2.226 10 5 CEBEMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000050565948 525639233 /nfs/dbraw/zinc/63/92/33/525639233.db2.gz INNSKLCANFFXCM-VHSXEESVSA-N 1 1 265.313 2.226 10 5 CEBEMO Cc1c(NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000062723697 525866915 /nfs/dbraw/zinc/86/69/15/525866915.db2.gz VNMGNEAWAOBSEY-UHFFFAOYSA-N 1 1 279.340 2.037 10 5 CEBEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000295819650 628132026 /nfs/dbraw/zinc/13/20/26/628132026.db2.gz BVBVDCRZUOLDFF-RNCFNFMXSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000295819650 628132031 /nfs/dbraw/zinc/13/20/31/628132031.db2.gz BVBVDCRZUOLDFF-RNCFNFMXSA-N 1 1 268.288 2.079 10 5 CEBEMO Cc1ccc(NC(=O)c2csc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC000090930110 180064250 /nfs/dbraw/zinc/06/42/50/180064250.db2.gz MAWSIDSTDNNWPR-UHFFFAOYSA-N 1 1 292.320 2.071 10 5 CEBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CC(O)C1 ZINC000091464058 180162626 /nfs/dbraw/zinc/16/26/26/180162626.db2.gz PQCOOYZKMVQSCU-UHFFFAOYSA-N 1 1 293.367 2.229 10 5 CEBEMO O=[N+]([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000107926073 186198127 /nfs/dbraw/zinc/19/81/27/186198127.db2.gz LMENOOFVKURKSH-PBWFPOADSA-N 1 1 262.309 2.083 10 5 CEBEMO [NH3+][C@@H]1C(=O)Nc2cc(Oc3ccccc3[N+](=O)[O-])ccc21 ZINC000109576041 186263419 /nfs/dbraw/zinc/26/34/19/186263419.db2.gz SYUBLXLFMCERFO-ZDUSSCGKSA-N 1 1 285.259 2.339 10 5 CEBEMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177101845 189028420 /nfs/dbraw/zinc/02/84/20/189028420.db2.gz LSZGYZZQTPRLDF-OAHLLOKOSA-N 1 1 286.335 2.456 10 5 CEBEMO CC[N@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000328323949 376847705 /nfs/dbraw/zinc/84/77/05/376847705.db2.gz FNOVIQSYKDOFQT-JTQLQIEISA-N 1 1 253.277 2.240 10 5 CEBEMO C[C@H]1C[C@H](C)C[NH+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000037331854 173133410 /nfs/dbraw/zinc/13/34/10/173133410.db2.gz ZEJNDPRKNXDPHU-UWVGGRQHSA-N 1 1 265.313 2.084 10 5 CEBEMO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000038087914 174100288 /nfs/dbraw/zinc/10/02/88/174100288.db2.gz SPOPPMXCGISKOP-GHMZBOCLSA-N 1 1 251.330 2.196 10 5 CEBEMO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000040675960 174373344 /nfs/dbraw/zinc/37/33/44/174373344.db2.gz NMMFDFFFIODAEA-DZGCQCFKSA-N 1 1 291.395 2.457 10 5 CEBEMO CC(C)C[N@@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)C ZINC000042587750 174809337 /nfs/dbraw/zinc/80/93/37/174809337.db2.gz GWRBFSHOMXXCFJ-UHFFFAOYSA-N 1 1 267.329 2.472 10 5 CEBEMO C[N@@H+]1CCCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000044561554 175205080 /nfs/dbraw/zinc/20/50/80/175205080.db2.gz OUPKPBQGFNWXQY-ZDUSSCGKSA-N 1 1 263.341 2.169 10 5 CEBEMO C[N@H+]1CCCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000044561554 175205081 /nfs/dbraw/zinc/20/50/81/175205081.db2.gz OUPKPBQGFNWXQY-ZDUSSCGKSA-N 1 1 263.341 2.169 10 5 CEBEMO Cn1cc[nH+]c1CCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000045140339 175315704 /nfs/dbraw/zinc/31/57/04/175315704.db2.gz GNPDLQGOVNMPPH-UHFFFAOYSA-N 1 1 281.703 2.031 10 5 CEBEMO CN(C[C@H]1CC[N@@H+](C)C1)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000071192654 176074665 /nfs/dbraw/zinc/07/46/65/176074665.db2.gz ZYMIISNUKDCXAU-VIFPVBQESA-N 1 1 284.747 2.031 10 5 CEBEMO CCNc1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000050791809 520301031 /nfs/dbraw/zinc/30/10/31/520301031.db2.gz GRWNZBVTNSEECK-ZDUSSCGKSA-N 1 1 293.367 2.231 10 5 CEBEMO CCC[N@H+](CCN(C)C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816483 521657894 /nfs/dbraw/zinc/65/78/94/521657894.db2.gz SXVSHRLQQHSQRV-UHFFFAOYSA-N 1 1 294.399 2.410 10 5 CEBEMO CCC[N@@H+](CCN(C)C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816483 521657896 /nfs/dbraw/zinc/65/78/96/521657896.db2.gz SXVSHRLQQHSQRV-UHFFFAOYSA-N 1 1 294.399 2.410 10 5 CEBEMO COc1ccc(C[NH2+][C@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000049180442 524088369 /nfs/dbraw/zinc/08/83/69/524088369.db2.gz CNSWMJZJKLHJCO-GFCCVEGCSA-N 1 1 293.367 2.177 10 5 CEBEMO C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000052926162 525459614 /nfs/dbraw/zinc/45/96/14/525459614.db2.gz RHALKVUYQOMSBP-JSGCOSHPSA-N 1 1 277.368 2.415 10 5 CEBEMO Cc1cnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000061321155 526040115 /nfs/dbraw/zinc/04/01/15/526040115.db2.gz SRRXXUXJWJJKQF-UHFFFAOYSA-N 1 1 272.308 2.291 10 5 CEBEMO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049569080 527320531 /nfs/dbraw/zinc/32/05/31/527320531.db2.gz ONJCEFNHAZJBHN-ZYHUDNBSSA-N 1 1 265.288 2.383 10 5 CEBEMO CC[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC000135565852 344381803 /nfs/dbraw/zinc/38/18/03/344381803.db2.gz NTPQCCUKYFKNDO-CYBMUJFWSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC000135565852 344381804 /nfs/dbraw/zinc/38/18/04/344381804.db2.gz NTPQCCUKYFKNDO-CYBMUJFWSA-N 1 1 279.340 2.036 10 5 CEBEMO O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[C@H]1CCCCO1 ZINC000225830397 344547866 /nfs/dbraw/zinc/54/78/66/344547866.db2.gz GHIHKEOYKYFRNI-BZUAXINKSA-N 1 1 290.363 2.333 10 5 CEBEMO O=[N+]([O-])C1C[N@H+](Cc2ccccc2)C[C@H]1[C@H]1CCCCO1 ZINC000225830397 344547868 /nfs/dbraw/zinc/54/78/68/344547868.db2.gz GHIHKEOYKYFRNI-BZUAXINKSA-N 1 1 290.363 2.333 10 5 CEBEMO O=[N+]([O-])C1C[N@@H+](Cc2ccccc2)C[C@H]1[C@H]1CCCCO1 ZINC000225830397 344547870 /nfs/dbraw/zinc/54/78/70/344547870.db2.gz GHIHKEOYKYFRNI-BZUAXINKSA-N 1 1 290.363 2.333 10 5 CEBEMO Cc1c(C[N@@H+]2CC[C@@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000602930915 347250335 /nfs/dbraw/zinc/25/03/35/347250335.db2.gz PDUNTWPDOIIZQL-ZWNOBZJWSA-N 1 1 264.325 2.248 10 5 CEBEMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](CC)C1 ZINC000336842921 365916790 /nfs/dbraw/zinc/91/67/90/365916790.db2.gz VOAADAHNSUVCGZ-NSHDSACASA-N 1 1 281.360 2.016 10 5 CEBEMO CCCc1nn(C)c(NC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000091584139 180199717 /nfs/dbraw/zinc/19/97/17/180199717.db2.gz YMKDQCCVLQKKFI-NSHDSACASA-N 1 1 295.387 2.177 10 5 CEBEMO Cc1ccc(N(C)C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301837583 201226132 /nfs/dbraw/zinc/22/61/32/201226132.db2.gz YIILVGKUAIQOLP-GFCCVEGCSA-N 1 1 263.341 2.291 10 5 CEBEMO CCCNC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632809 184699513 /nfs/dbraw/zinc/69/95/13/184699513.db2.gz QQQQKQLFENTLJJ-SECBINFHSA-N 1 1 299.758 2.253 10 5 CEBEMO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000400317711 533506814 /nfs/dbraw/zinc/50/68/14/533506814.db2.gz AAMRIUHSVDGARN-DMDPSCGWSA-N 1 1 263.341 2.243 10 5 CEBEMO C[N@@H+]1CCC[C@H](NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040673165 174371380 /nfs/dbraw/zinc/37/13/80/174371380.db2.gz DLQKURXJVFHFSZ-JTQLQIEISA-N 1 1 285.294 2.057 10 5 CEBEMO C[N@H+]1CCC[C@H](NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040673165 174371381 /nfs/dbraw/zinc/37/13/81/174371381.db2.gz DLQKURXJVFHFSZ-JTQLQIEISA-N 1 1 285.294 2.057 10 5 CEBEMO CCCc1[nH+]ccn1Cc1ccc(NN)c([N+](=O)[O-])c1 ZINC000070425642 175922547 /nfs/dbraw/zinc/92/25/47/175922547.db2.gz ANOSSAUHOWRPJT-UHFFFAOYSA-N 1 1 275.312 2.078 10 5 CEBEMO CC[N@@H+](C)[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000302792854 276077353 /nfs/dbraw/zinc/07/73/53/276077353.db2.gz ZJVZVCRPLUIBKH-GFCCVEGCSA-N 1 1 263.341 2.434 10 5 CEBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171701503 280097869 /nfs/dbraw/zinc/09/78/69/280097869.db2.gz AWHJAWSLWHVGSA-CQSZACIVSA-N 1 1 287.323 2.023 10 5 CEBEMO O=[N+]([O-])c1cc(F)ccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000042098718 280360287 /nfs/dbraw/zinc/36/02/87/280360287.db2.gz ZNXZGAVDPLHNDW-LLVKDONJSA-N 1 1 265.288 2.018 10 5 CEBEMO CC(C)[C@H](C[NH+](C)C)NCc1ccccc1[N+](=O)[O-] ZINC000049196987 519814573 /nfs/dbraw/zinc/81/45/73/519814573.db2.gz FKIRTZZHBRCIBF-ZDUSSCGKSA-N 1 1 265.357 2.271 10 5 CEBEMO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000068650929 521156364 /nfs/dbraw/zinc/15/63/64/521156364.db2.gz CJJFIXYSFVOEBM-HZMBPMFUSA-N 1 1 296.323 2.033 10 5 CEBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CCCO ZINC000052762741 525457039 /nfs/dbraw/zinc/45/70/39/525457039.db2.gz JMOXIIMTPQVFFC-CYBMUJFWSA-N 1 1 294.351 2.340 10 5 CEBEMO O=[N+]([O-])c1ccc(F)cc1C[NH2+]CCN1CCCCC1 ZINC000049575134 527357282 /nfs/dbraw/zinc/35/72/82/527357282.db2.gz JZVRBTBREPIYBR-UHFFFAOYSA-N 1 1 281.331 2.309 10 5 CEBEMO C[N@H+]1CCC[C@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120616 362466606 /nfs/dbraw/zinc/46/66/06/362466606.db2.gz KPSUONFVLVKCAB-SNVBAGLBSA-N 1 1 267.304 2.488 10 5 CEBEMO CCc1nn(-c2cc[nH+]cc2)c(Cl)c1[N+](=O)[O-] ZINC000097100297 185531279 /nfs/dbraw/zinc/53/12/79/185531279.db2.gz YBOUBYBBMFKIAJ-UHFFFAOYSA-N 1 1 252.661 2.391 10 5 CEBEMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595514985 345801549 /nfs/dbraw/zinc/80/15/49/345801549.db2.gz UYHIQPBDNKRPRF-ZANVPECISA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595514985 345801552 /nfs/dbraw/zinc/80/15/52/345801552.db2.gz UYHIQPBDNKRPRF-ZANVPECISA-N 1 1 268.288 2.079 10 5 CEBEMO O=[N+]([O-])c1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000107926240 186198254 /nfs/dbraw/zinc/19/82/54/186198254.db2.gz VWOWMIKBACAAMO-FUNVUKJBSA-N 1 1 262.309 2.083 10 5 CEBEMO CCOc1cccc(NCCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000134909172 366373166 /nfs/dbraw/zinc/37/31/66/366373166.db2.gz UCFBYZVKVYMXPK-UHFFFAOYSA-N 1 1 290.323 2.382 10 5 CEBEMO CC[N@@H+](C)[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000302784925 394476692 /nfs/dbraw/zinc/47/66/92/394476692.db2.gz UZNPVBIUXAGUGF-LLVKDONJSA-N 1 1 267.304 2.264 10 5 CEBEMO Cc1cc(NCC(F)(F)C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261560016 153759137 /nfs/dbraw/zinc/75/91/37/153759137.db2.gz FAMLBLNACLFIAV-UHFFFAOYSA-N 1 1 263.219 2.048 10 5 CEBEMO CC[N@@H+](C)[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000302828845 276078649 /nfs/dbraw/zinc/07/86/49/276078649.db2.gz OQPHDGGMOZMFTI-VIFPVBQESA-N 1 1 255.343 2.187 10 5 CEBEMO CC[N@@H+](C)[C@H]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000302791689 276078627 /nfs/dbraw/zinc/07/86/27/276078627.db2.gz YOKVULNJJCKDKZ-JTQLQIEISA-N 1 1 297.330 2.273 10 5 CEBEMO Cc1cc(N[C@H](C)[C@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000381850655 321837221 /nfs/dbraw/zinc/83/72/21/321837221.db2.gz ZHPQOYRSXGIIGK-VHSXEESVSA-N 1 1 274.324 2.021 10 5 CEBEMO CCCNc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000050817193 520157043 /nfs/dbraw/zinc/15/70/43/520157043.db2.gz XRVGLXKVBHQEDE-CYBMUJFWSA-N 1 1 293.367 2.373 10 5 CEBEMO CC[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000050815139 521322657 /nfs/dbraw/zinc/32/26/57/521322657.db2.gz MTFCDRHTVFVKOJ-LBPRGKRZSA-N 1 1 279.340 2.178 10 5 CEBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CN1CCCC1 ZINC000049165338 525459756 /nfs/dbraw/zinc/45/97/56/525459756.db2.gz LWJMOARZRYIIGP-LBPRGKRZSA-N 1 1 293.367 2.177 10 5 CEBEMO Nc1ccc(C[N@@H+](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000050816355 527480802 /nfs/dbraw/zinc/48/08/02/527480802.db2.gz WGWAKAHVDQPZQD-UHFFFAOYSA-N 1 1 293.367 2.304 10 5 CEBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](CCO)C2)c1 ZINC000227571890 643360530 /nfs/dbraw/zinc/36/05/30/643360530.db2.gz SBRPLPYWHOVBBT-SNVBAGLBSA-N 1 1 284.743 2.453 10 5 CEBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](CCO)C2)c1 ZINC000227571890 643360535 /nfs/dbraw/zinc/36/05/35/643360535.db2.gz SBRPLPYWHOVBBT-SNVBAGLBSA-N 1 1 284.743 2.453 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1 ZINC000091483340 344165420 /nfs/dbraw/zinc/16/54/20/344165420.db2.gz ONKWGNYXSOYHQO-SMDDNHRTSA-N 1 1 261.325 2.268 10 5 CEBEMO [NH3+]CC(F)(F)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000158848202 395055929 /nfs/dbraw/zinc/05/59/29/395055929.db2.gz ASVMQFQQXDECPO-UHFFFAOYSA-N 1 1 282.250 2.149 10 5 CEBEMO CC[C@H]1CCCC[N@@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037334572 173135338 /nfs/dbraw/zinc/13/53/38/173135338.db2.gz JHKBSSAUPXYTIZ-JTQLQIEISA-N 1 1 265.313 2.370 10 5 CEBEMO CC[C@H]1CCCC[N@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037334572 173135341 /nfs/dbraw/zinc/13/53/41/173135341.db2.gz JHKBSSAUPXYTIZ-JTQLQIEISA-N 1 1 265.313 2.370 10 5 CEBEMO CC[N@@H+]1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000040502459 174298990 /nfs/dbraw/zinc/29/89/90/174298990.db2.gz HDQHFORTHCGYSY-ZDUSSCGKSA-N 1 1 263.341 2.169 10 5 CEBEMO CC[N@H+]1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000040502459 174298991 /nfs/dbraw/zinc/29/89/91/174298991.db2.gz HDQHFORTHCGYSY-ZDUSSCGKSA-N 1 1 263.341 2.169 10 5 CEBEMO CNc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000071191128 176067958 /nfs/dbraw/zinc/06/79/58/176067958.db2.gz JPRNXOMAWLZDMJ-CYBMUJFWSA-N 1 1 292.383 2.020 10 5 CEBEMO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000068650924 521157308 /nfs/dbraw/zinc/15/73/08/521157308.db2.gz CJJFIXYSFVOEBM-YGRLFVJLSA-N 1 1 296.323 2.033 10 5 CEBEMO CCc1[nH+]ccn1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050830082 522587856 /nfs/dbraw/zinc/58/78/56/522587856.db2.gz CFLNOKVTFXSXLZ-UHFFFAOYSA-N 1 1 260.297 2.444 10 5 CEBEMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@@H+]1C ZINC000052812798 525575851 /nfs/dbraw/zinc/57/58/51/525575851.db2.gz KUCGTPSDENONSM-LLVKDONJSA-N 1 1 264.329 2.194 10 5 CEBEMO Cc1cnc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000061320543 526040801 /nfs/dbraw/zinc/04/08/01/526040801.db2.gz FYXFQKZMJSAWKJ-UHFFFAOYSA-N 1 1 272.308 2.291 10 5 CEBEMO Cc1ccc([N+](=O)[O-])cc1-c1noc(C[NH2+]C2CC2)n1 ZINC000050441213 526066753 /nfs/dbraw/zinc/06/67/53/526066753.db2.gz MHHLOMIKBDTWFG-UHFFFAOYSA-N 1 1 274.280 2.205 10 5 CEBEMO O=[N+]([O-])c1c(F)cccc1N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049569081 527321796 /nfs/dbraw/zinc/32/17/96/527321796.db2.gz ONJCEFNHAZJBHN-CMPLNLGQSA-N 1 1 265.288 2.383 10 5 CEBEMO COC(=O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000227754719 643363137 /nfs/dbraw/zinc/36/31/37/643363137.db2.gz SSSRYMBKHZZSLX-GWCFXTLKSA-N 1 1 292.335 2.144 10 5 CEBEMO CC[C@H]([NH3+])c1nnc(-c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000083483336 178509889 /nfs/dbraw/zinc/50/98/89/178509889.db2.gz RYKWFBBRQZRDJL-VIFPVBQESA-N 1 1 266.232 2.194 10 5 CEBEMO Cc1cc(N(C)CCC[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000122236698 344305967 /nfs/dbraw/zinc/30/59/67/344305967.db2.gz ULGDMLCRCYINFU-UHFFFAOYSA-N 1 1 274.324 2.236 10 5 CEBEMO O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[C@@H]1CCCCO1 ZINC000225830380 344547939 /nfs/dbraw/zinc/54/79/39/344547939.db2.gz GHIHKEOYKYFRNI-OAGGEKHMSA-N 1 1 290.363 2.333 10 5 CEBEMO O=[N+]([O-])C1C[N@H+](Cc2ccccc2)C[C@H]1[C@@H]1CCCCO1 ZINC000225830380 344547941 /nfs/dbraw/zinc/54/79/41/344547941.db2.gz GHIHKEOYKYFRNI-OAGGEKHMSA-N 1 1 290.363 2.333 10 5 CEBEMO O=[N+]([O-])C1C[N@@H+](Cc2ccccc2)C[C@H]1[C@@H]1CCCCO1 ZINC000225830380 344547942 /nfs/dbraw/zinc/54/79/42/344547942.db2.gz GHIHKEOYKYFRNI-OAGGEKHMSA-N 1 1 290.363 2.333 10 5 CEBEMO C[N@H+]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000086819048 179347851 /nfs/dbraw/zinc/34/78/51/179347851.db2.gz MEPBAYIGEYNNLL-CYBMUJFWSA-N 1 1 263.341 2.169 10 5 CEBEMO COc1cc(NC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000111048902 186348312 /nfs/dbraw/zinc/34/83/12/186348312.db2.gz MZZUBEDJPZOLES-LBPRGKRZSA-N 1 1 279.340 2.500 10 5 CEBEMO Cc1cc(N[C@@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122223747 187021993 /nfs/dbraw/zinc/02/19/93/187021993.db2.gz FWWBZVMFBMCCFM-SNVBAGLBSA-N 1 1 272.308 2.225 10 5 CEBEMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000245415817 370815434 /nfs/dbraw/zinc/81/54/34/370815434.db2.gz HAOQVAXIBLVEGF-AWEZNQCLSA-N 1 1 291.351 2.026 10 5 CEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247378220 371100152 /nfs/dbraw/zinc/10/01/52/371100152.db2.gz VPLUSRXAEOYLBO-DOMZBBRYSA-N 1 1 275.352 2.436 10 5 CEBEMO Cc1c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261796235 371735804 /nfs/dbraw/zinc/73/58/04/371735804.db2.gz QUXGMRXSHMPGRY-MELADBBJSA-N 1 1 275.352 2.072 10 5 CEBEMO CC[N@@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000302775436 394476803 /nfs/dbraw/zinc/47/68/03/394476803.db2.gz OLUKRJQLJGOYBI-VIFPVBQESA-N 1 1 284.747 2.174 10 5 CEBEMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000302793167 394476998 /nfs/dbraw/zinc/47/69/98/394476998.db2.gz ZOEYKODTNXNQRW-CYBMUJFWSA-N 1 1 263.341 2.434 10 5 CEBEMO Cc1c(CN[C@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000568499528 395562896 /nfs/dbraw/zinc/56/28/96/395562896.db2.gz KVCUXFVJZPZANF-OCCSQVGLSA-N 1 1 277.368 2.381 10 5 CEBEMO O=C(C[NH+]1CCCCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000037331658 173132407 /nfs/dbraw/zinc/13/24/07/173132407.db2.gz AKIYZRALKCETKH-UHFFFAOYSA-N 1 1 265.313 2.372 10 5 CEBEMO CNc1ccc(C[N@@H+](CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC000050816383 522605835 /nfs/dbraw/zinc/60/58/35/522605835.db2.gz DRTZOIHNDUWXQH-UHFFFAOYSA-N 1 1 293.367 2.373 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CCO ZINC000050792894 522646106 /nfs/dbraw/zinc/64/61/06/522646106.db2.gz AOYIHBDEMIWUMP-CYBMUJFWSA-N 1 1 293.367 2.373 10 5 CEBEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1cccc([N+](=O)[O-])c1)C2 ZINC000052926092 524031234 /nfs/dbraw/zinc/03/12/34/524031234.db2.gz KPWMQTYQYSODBH-AGUYFDCRSA-N 1 1 275.352 2.310 10 5 CEBEMO C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000052926160 525459785 /nfs/dbraw/zinc/45/97/85/525459785.db2.gz RHALKVUYQOMSBP-GXTWGEPZSA-N 1 1 277.368 2.415 10 5 CEBEMO Cc1cc(N2CC[NH2+][C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122165267 648140208 /nfs/dbraw/zinc/14/02/08/648140208.db2.gz JJEIEPGWHAPSAF-NSHDSACASA-N 1 1 286.335 2.250 10 5 CEBEMO CC[N@@H+]1CCO[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000135565802 344381837 /nfs/dbraw/zinc/38/18/37/344381837.db2.gz FPEIHPHTAXBGCS-GFCCVEGCSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000135565802 344381838 /nfs/dbraw/zinc/38/18/38/344381838.db2.gz FPEIHPHTAXBGCS-GFCCVEGCSA-N 1 1 279.340 2.036 10 5 CEBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000143748179 344406355 /nfs/dbraw/zinc/40/63/55/344406355.db2.gz XAECANDAYMIUHX-CQSZACIVSA-N 1 1 261.325 2.269 10 5 CEBEMO C[C@H]([NH3+])c1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000090946493 180070593 /nfs/dbraw/zinc/07/05/93/180070593.db2.gz MVGCMRILTQWAIU-ZETCQYMHSA-N 1 1 292.320 2.323 10 5 CEBEMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000091463414 180162476 /nfs/dbraw/zinc/16/24/76/180162476.db2.gz CWKVXTKIDAMTBI-UHFFFAOYSA-N 1 1 284.743 2.451 10 5 CEBEMO CCCc1nn(C)c(NC[C@@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000091576565 180197934 /nfs/dbraw/zinc/19/79/34/180197934.db2.gz GIMJBLCQLZLTNQ-NSHDSACASA-N 1 1 295.387 2.177 10 5 CEBEMO C[C@@H]1C[NH+](CC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000092086189 180320758 /nfs/dbraw/zinc/32/07/58/180320758.db2.gz AIEIGQMAJQSICK-GHMZBOCLSA-N 1 1 262.309 2.365 10 5 CEBEMO CNc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1[N+](=O)[O-] ZINC000107928008 186198542 /nfs/dbraw/zinc/19/85/42/186198542.db2.gz WDJMLJFHOWGNNW-FUNVUKJBSA-N 1 1 291.351 2.124 10 5 CEBEMO CNc1ccc(CN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000110743194 186318702 /nfs/dbraw/zinc/31/87/02/186318702.db2.gz WFSLFJXBCOBBLH-UHFFFAOYSA-N 1 1 292.383 2.163 10 5 CEBEMO CC[N@H+]1CCC[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000070496002 363091487 /nfs/dbraw/zinc/09/14/87/363091487.db2.gz XOGZOXLPAZDNQE-NSHDSACASA-N 1 1 264.329 2.194 10 5 CEBEMO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000133709774 366249439 /nfs/dbraw/zinc/24/94/39/366249439.db2.gz VHYRJJGZLIBPRD-LLVKDONJSA-N 1 1 296.298 2.119 10 5 CEBEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000133709774 366249446 /nfs/dbraw/zinc/24/94/46/366249446.db2.gz VHYRJJGZLIBPRD-LLVKDONJSA-N 1 1 296.298 2.119 10 5 CEBEMO O=[N+]([O-])c1cccc(CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000172801548 367821387 /nfs/dbraw/zinc/82/13/87/367821387.db2.gz WUPVFYVABHJJNH-OAHLLOKOSA-N 1 1 275.352 2.265 10 5 CEBEMO CC(C)[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035532481 172243707 /nfs/dbraw/zinc/24/37/07/172243707.db2.gz QWZWWCLHHRFRKY-JTQLQIEISA-N 1 1 262.269 2.301 10 5 CEBEMO C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000038087911 174100466 /nfs/dbraw/zinc/10/04/66/174100466.db2.gz SPOPPMXCGISKOP-QWRGUYRKSA-N 1 1 251.330 2.196 10 5 CEBEMO CC[N@H+]1CCC[C@@H](NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040502978 174300114 /nfs/dbraw/zinc/30/01/14/174300114.db2.gz NQWQCVVKPXSXBS-LLVKDONJSA-N 1 1 299.321 2.447 10 5 CEBEMO CCN1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000040502978 174300115 /nfs/dbraw/zinc/30/01/15/174300115.db2.gz NQWQCVVKPXSXBS-LLVKDONJSA-N 1 1 299.321 2.447 10 5 CEBEMO C[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000040673504 174372017 /nfs/dbraw/zinc/37/20/17/174372017.db2.gz ZWMGJAPYKHXUSP-SECBINFHSA-N 1 1 280.284 2.009 10 5 CEBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000246062734 275036512 /nfs/dbraw/zinc/03/65/12/275036512.db2.gz GTFMVNGHNJGMSL-LBPRGKRZSA-N 1 1 298.346 2.427 10 5 CEBEMO CCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050818023 520319761 /nfs/dbraw/zinc/31/97/61/520319761.db2.gz MXGXLUTXPHGEAB-CYBMUJFWSA-N 1 1 279.340 2.178 10 5 CEBEMO C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000050813808 523261415 /nfs/dbraw/zinc/26/14/15/523261415.db2.gz ZNBLFQAVOYTSGI-UHFFFAOYSA-N 1 1 272.308 2.204 10 5 CEBEMO C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000050813808 523261426 /nfs/dbraw/zinc/26/14/26/523261426.db2.gz ZNBLFQAVOYTSGI-UHFFFAOYSA-N 1 1 272.308 2.204 10 5 CEBEMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@@H+]1C ZINC000052812797 525576926 /nfs/dbraw/zinc/57/69/26/525576926.db2.gz KUCGTPSDENONSM-NSHDSACASA-N 1 1 264.329 2.194 10 5 CEBEMO Nc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C1CCCCC1 ZINC000050816356 527503862 /nfs/dbraw/zinc/50/38/62/527503862.db2.gz HMOLBZZVIVNLPJ-UHFFFAOYSA-N 1 1 293.367 2.304 10 5 CEBEMO Cc1ccc(NC(=O)c2csc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC000090930571 180064080 /nfs/dbraw/zinc/06/40/80/180064080.db2.gz CASFIFFTQJVBAW-UHFFFAOYSA-N 1 1 292.320 2.071 10 5 CEBEMO C[C@@H]([NH3+])c1nc(C(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000090948455 180070838 /nfs/dbraw/zinc/07/08/38/180070838.db2.gz XXFRRBUANCZUIA-SSDOTTSWSA-N 1 1 292.320 2.323 10 5 CEBEMO [NH3+][C@H]1C(=O)Nc2cc(Oc3ccccc3[N+](=O)[O-])ccc21 ZINC000109576038 186264471 /nfs/dbraw/zinc/26/44/71/186264471.db2.gz SYUBLXLFMCERFO-CYBMUJFWSA-N 1 1 285.259 2.339 10 5 CEBEMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1N)CC1CCOCC1 ZINC000111170858 186364675 /nfs/dbraw/zinc/36/46/75/186364675.db2.gz VMYNEPMTDKUZFU-UHFFFAOYSA-N 1 1 279.340 2.035 10 5 CEBEMO [NH3+]CC(F)(F)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000162667494 367178727 /nfs/dbraw/zinc/17/87/27/367178727.db2.gz CCXLNWJPWBWIAW-UHFFFAOYSA-N 1 1 265.647 2.254 10 5 CEBEMO CC[C@](C)(O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000187329369 369140401 /nfs/dbraw/zinc/14/04/01/369140401.db2.gz AHRSRMPUGYRYGV-ZDUSSCGKSA-N 1 1 252.314 2.188 10 5 CEBEMO C[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000219162206 370221115 /nfs/dbraw/zinc/22/11/15/370221115.db2.gz JVGOBVQSWAKVDQ-NEPJUHHUSA-N 1 1 263.341 2.340 10 5 CEBEMO C[C@@H](NC[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000219162206 370221118 /nfs/dbraw/zinc/22/11/18/370221118.db2.gz JVGOBVQSWAKVDQ-NEPJUHHUSA-N 1 1 263.341 2.340 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000247088837 371063166 /nfs/dbraw/zinc/06/31/66/371063166.db2.gz IBFLBDCTXNJKBM-WFASDCNBSA-N 1 1 275.352 2.263 10 5 CEBEMO CC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290510 375301878 /nfs/dbraw/zinc/30/18/78/375301878.db2.gz XIVQTMMCIZTMMK-DGCLKSJQSA-N 1 1 263.341 2.340 10 5 CEBEMO CC[N@H+]1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290510 375301885 /nfs/dbraw/zinc/30/18/85/375301885.db2.gz XIVQTMMCIZTMMK-DGCLKSJQSA-N 1 1 263.341 2.340 10 5 CEBEMO [NH3+]CC(F)(F)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420247135 376656829 /nfs/dbraw/zinc/65/68/29/376656829.db2.gz ULZCXBCZBVEPAZ-UHFFFAOYSA-N 1 1 282.250 2.149 10 5 CEBEMO O=Cc1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439708 135087970 /nfs/dbraw/zinc/08/79/70/135087970.db2.gz YDSYHEVAJIHAQV-CQSZACIVSA-N 1 1 289.335 2.082 10 5 CEBEMO O=Cc1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439708 135087972 /nfs/dbraw/zinc/08/79/72/135087972.db2.gz YDSYHEVAJIHAQV-CQSZACIVSA-N 1 1 289.335 2.082 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000301249149 394459300 /nfs/dbraw/zinc/45/93/00/394459300.db2.gz AIYGVOZUTGLETC-UWVGGRQHSA-N 1 1 296.758 2.316 10 5 CEBEMO C[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000040673503 174372176 /nfs/dbraw/zinc/37/21/76/174372176.db2.gz ZWMGJAPYKHXUSP-VIFPVBQESA-N 1 1 280.284 2.009 10 5 CEBEMO CCC[C@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732010 175240882 /nfs/dbraw/zinc/24/08/82/175240882.db2.gz GYAZDQTXYPQWEV-VIFPVBQESA-N 1 1 262.269 2.445 10 5 CEBEMO CCNc1ccc(C[N@@H+](C)[C@H](C)COC)cc1[N+](=O)[O-] ZINC000050815220 520299388 /nfs/dbraw/zinc/29/93/88/520299388.db2.gz ALFQFQRZXNRPPQ-LLVKDONJSA-N 1 1 281.356 2.493 10 5 CEBEMO CNc1ccc(C[N@H+]2CCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000052763220 522610667 /nfs/dbraw/zinc/61/06/67/522610667.db2.gz LFUVEUDMDCMIRK-ZDUSSCGKSA-N 1 1 293.367 2.373 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1CCO ZINC000050792895 522645672 /nfs/dbraw/zinc/64/56/72/522645672.db2.gz AOYIHBDEMIWUMP-ZDUSSCGKSA-N 1 1 293.367 2.373 10 5 CEBEMO COc1ccc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000054128401 524677971 /nfs/dbraw/zinc/67/79/71/524677971.db2.gz HUIPPWNICMMJAE-UHFFFAOYSA-N 1 1 267.329 2.356 10 5 CEBEMO Cc1c(-c2nnc(C[NH2+]C3CC3)o2)cccc1[N+](=O)[O-] ZINC000050616130 525512584 /nfs/dbraw/zinc/51/25/84/525512584.db2.gz SFSYYEVDSXJBHA-UHFFFAOYSA-N 1 1 274.280 2.205 10 5 CEBEMO [NH3+][C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000054502939 527392538 /nfs/dbraw/zinc/39/25/38/527392538.db2.gz MBXCGABZNGCNJJ-JTQLQIEISA-N 1 1 260.253 2.055 10 5 CEBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000062727302 527398184 /nfs/dbraw/zinc/39/81/84/527398184.db2.gz GSOPGBYGJHSXKW-ZDUSSCGKSA-N 1 1 278.352 2.232 10 5 CEBEMO Cc1nn([C@H]2CCC[N@H+](C(C)C)CC2)c(N)c1[N+](=O)[O-] ZINC000086846108 179354653 /nfs/dbraw/zinc/35/46/53/179354653.db2.gz XMCUISRUZZRHOE-NSHDSACASA-N 1 1 281.360 2.117 10 5 CEBEMO CCC[N@H+]1CCC[C@@H](n2nc(C)c([N+](=O)[O-])c2N)CC1 ZINC000086846119 179355001 /nfs/dbraw/zinc/35/50/01/179355001.db2.gz RNLLFOANLOSUJU-LLVKDONJSA-N 1 1 281.360 2.119 10 5 CEBEMO CCCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1CC ZINC000091553878 180189357 /nfs/dbraw/zinc/18/93/57/180189357.db2.gz JREDHBKJVASJDN-GFCCVEGCSA-N 1 1 295.387 2.406 10 5 CEBEMO C[N@H+]1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108643725 186225038 /nfs/dbraw/zinc/22/50/38/186225038.db2.gz VGDDGGKDJULVIQ-SNVBAGLBSA-N 1 1 253.277 2.240 10 5 CEBEMO CC[N@H+]1CCN(Cc2ccc(NC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000110742691 186319074 /nfs/dbraw/zinc/31/90/74/186319074.db2.gz SKFVNIXUJWAJHE-LBPRGKRZSA-N 1 1 292.383 2.163 10 5 CEBEMO CC[N@H+]1CCC[C@@H](Nc2cccc(OC)c2[N+](=O)[O-])C1 ZINC000134908942 366372617 /nfs/dbraw/zinc/37/26/17/366372617.db2.gz DMXINEPAPNMNQM-LLVKDONJSA-N 1 1 279.340 2.500 10 5 CEBEMO CC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000389467206 375303636 /nfs/dbraw/zinc/30/36/36/375303636.db2.gz UCSZZKKAPXDCHS-QMMMGPOBSA-N 1 1 270.720 2.149 10 5 CEBEMO CC[N@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000328323950 376847286 /nfs/dbraw/zinc/84/72/86/376847286.db2.gz FNOVIQSYKDOFQT-SNVBAGLBSA-N 1 1 253.277 2.240 10 5 CEBEMO O=[N+]([O-])c1cc(F)ccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000248905947 285095730 /nfs/dbraw/zinc/09/57/30/285095730.db2.gz ZNXZGAVDPLHNDW-NSHDSACASA-N 1 1 265.288 2.018 10 5 CEBEMO CCC[C@@H]([NH2+]C1COC1)c1cccc([N+](=O)[O-])c1 ZINC000094710007 184845286 /nfs/dbraw/zinc/84/52/86/184845286.db2.gz YKWXQFZKPNTURP-CYBMUJFWSA-N 1 1 250.298 2.424 10 5 CEBEMO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399209282 395243634 /nfs/dbraw/zinc/24/36/34/395243634.db2.gz FIXRFCSYPQTWCH-JOYOIKCWSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399209282 395243637 /nfs/dbraw/zinc/24/36/37/395243637.db2.gz FIXRFCSYPQTWCH-JOYOIKCWSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000038087912 174100707 /nfs/dbraw/zinc/10/07/07/174100707.db2.gz SPOPPMXCGISKOP-MNOVXSKESA-N 1 1 251.330 2.196 10 5 CEBEMO CC[N@H+]1CCC[C@H](Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000040503223 174299819 /nfs/dbraw/zinc/29/98/19/174299819.db2.gz PAVCCUOIZMRFKZ-NSHDSACASA-N 1 1 279.340 2.500 10 5 CEBEMO COc1ccc(N[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000040673518 174371896 /nfs/dbraw/zinc/37/18/96/174371896.db2.gz ZJAVDSRHLIXCLQ-SNVBAGLBSA-N 1 1 265.313 2.110 10 5 CEBEMO Cc1ncsc1C[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000071212824 176084989 /nfs/dbraw/zinc/08/49/89/176084989.db2.gz VOOSTFBHVLAYTH-UHFFFAOYSA-N 1 1 253.283 2.243 10 5 CEBEMO Cc1c(C[N@@H+]2C[C@H](O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000399253699 270368330 /nfs/dbraw/zinc/36/83/30/270368330.db2.gz NRCBFWIMNBPAST-GXFFZTMASA-N 1 1 264.325 2.248 10 5 CEBEMO CC(C)[C@@H](C[NH+](C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000049196973 519793823 /nfs/dbraw/zinc/79/38/23/519793823.db2.gz IVCLWFAZMBOCIB-CQSZACIVSA-N 1 1 265.357 2.271 10 5 CEBEMO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CO ZINC000050816613 520171565 /nfs/dbraw/zinc/17/15/65/520171565.db2.gz MMJUOTFBSOLMDK-AWEZNQCLSA-N 1 1 293.367 2.373 10 5 CEBEMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840954 521649686 /nfs/dbraw/zinc/64/96/86/521649686.db2.gz FDPGQLMUPJSESY-JTQLQIEISA-N 1 1 264.329 2.073 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCOCC1 ZINC000050814148 522645398 /nfs/dbraw/zinc/64/53/98/522645398.db2.gz HVDPXZIQYVWTGH-UHFFFAOYSA-N 1 1 279.340 2.247 10 5 CEBEMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)[C@H]1CCSC1 ZINC000050813275 523184752 /nfs/dbraw/zinc/18/47/52/523184752.db2.gz DKBDGYCQHDBYLS-NSHDSACASA-N 1 1 267.354 2.114 10 5 CEBEMO C[C@@H](CN1CCCC1)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049164319 524592409 /nfs/dbraw/zinc/59/24/09/524592409.db2.gz MGEYLZMIYIKPCF-NSHDSACASA-N 1 1 281.331 2.308 10 5 CEBEMO Cc1ccc(N[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000061700976 525310560 /nfs/dbraw/zinc/31/05/60/525310560.db2.gz UPJIMMBAWCMCSO-LBPRGKRZSA-N 1 1 279.340 2.036 10 5 CEBEMO Cc1cc(-c2nnc(C[NH2+]C3CC3)o2)ccc1[N+](=O)[O-] ZINC000050616124 526061140 /nfs/dbraw/zinc/06/11/40/526061140.db2.gz QYCQIJPWBFOWIK-UHFFFAOYSA-N 1 1 274.280 2.205 10 5 CEBEMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000602930192 347250604 /nfs/dbraw/zinc/25/06/04/347250604.db2.gz JKBLFVNVISSQEU-BXKDBHETSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000602930192 347250606 /nfs/dbraw/zinc/25/06/06/347250606.db2.gz JKBLFVNVISSQEU-BXKDBHETSA-N 1 1 268.288 2.079 10 5 CEBEMO Cc1cccc([N+](=O)[O-])c1-c1nnc([C@@H](C)[NH3+])s1 ZINC000088810713 179676420 /nfs/dbraw/zinc/67/64/20/179676420.db2.gz PEMJIEFJBGRAJO-SSDOTTSWSA-N 1 1 264.310 2.441 10 5 CEBEMO Cc1ccc(CNC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000092252932 180353113 /nfs/dbraw/zinc/35/31/13/180353113.db2.gz ILCVWEJBUAAGAQ-ZDUSSCGKSA-N 1 1 277.368 2.477 10 5 CEBEMO C[C@H]1CCC[N@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000110806973 186326267 /nfs/dbraw/zinc/32/62/67/186326267.db2.gz RTVZZHJHBWXZNI-JTQLQIEISA-N 1 1 265.313 2.228 10 5 CEBEMO C[C@H]1CCC[N@@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000110806973 186326269 /nfs/dbraw/zinc/32/62/69/186326269.db2.gz RTVZZHJHBWXZNI-JTQLQIEISA-N 1 1 265.313 2.228 10 5 CEBEMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302062088 201326443 /nfs/dbraw/zinc/32/64/43/201326443.db2.gz SHYUGMAEWIZVFE-SMDDNHRTSA-N 1 1 293.367 2.228 10 5 CEBEMO Cc1cc(N[C@@H](C)[C@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000381850648 375180326 /nfs/dbraw/zinc/18/03/26/375180326.db2.gz ZHPQOYRSXGIIGK-UWVGGRQHSA-N 1 1 274.324 2.021 10 5 CEBEMO O=Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000094439714 135087804 /nfs/dbraw/zinc/08/78/04/135087804.db2.gz PIZWQWGVAFPEGT-CYBMUJFWSA-N 1 1 289.335 2.082 10 5 CEBEMO O=Cc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000094439714 135087805 /nfs/dbraw/zinc/08/78/05/135087805.db2.gz PIZWQWGVAFPEGT-CYBMUJFWSA-N 1 1 289.335 2.082 10 5 CEBEMO Cc1ccc(N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000245415569 394499015 /nfs/dbraw/zinc/49/90/15/394499015.db2.gz GLRFZESILSUYLI-LBPRGKRZSA-N 1 1 261.325 2.188 10 5 CEBEMO CNc1ccc(C[N@@H+](CCCO)C(C)C)cc1[N+](=O)[O-] ZINC000050818070 522607451 /nfs/dbraw/zinc/60/74/51/522607451.db2.gz IKLAUCFMTWAPFC-UHFFFAOYSA-N 1 1 281.356 2.229 10 5 CEBEMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000048738752 523988914 /nfs/dbraw/zinc/98/89/14/523988914.db2.gz BYIVRKVQSSKNPU-JTQLQIEISA-N 1 1 272.308 2.259 10 5 CEBEMO Cc1c(NCCc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000062723897 525869310 /nfs/dbraw/zinc/86/93/10/525869310.db2.gz ILFOTCAIMJVEBZ-UHFFFAOYSA-N 1 1 260.297 2.291 10 5 CEBEMO Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000261636319 623411218 /nfs/dbraw/zinc/41/12/18/623411218.db2.gz IFZQGEHNGYMECH-GXFFZTMASA-N 1 1 286.335 2.377 10 5 CEBEMO O=[N+]([O-])c1ccc(F)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247437505 624056036 /nfs/dbraw/zinc/05/60/36/624056036.db2.gz ZKCZIMZIXOFWKY-ZDUSSCGKSA-N 1 1 279.315 2.014 10 5 CEBEMO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261594685 628942134 /nfs/dbraw/zinc/94/21/34/628942134.db2.gz BDJGBUDWWILKKB-NOZJJQNGSA-N 1 1 286.335 2.235 10 5 CEBEMO CC[N@@H+]1CCO[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000166121376 344476024 /nfs/dbraw/zinc/47/60/24/344476024.db2.gz FCSWEVUIYZOZRV-SNVBAGLBSA-N 1 1 299.758 2.381 10 5 CEBEMO CC[N@H+]1CCO[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000166121376 344476025 /nfs/dbraw/zinc/47/60/25/344476025.db2.gz FCSWEVUIYZOZRV-SNVBAGLBSA-N 1 1 299.758 2.381 10 5 CEBEMO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000401886284 233185713 /nfs/dbraw/zinc/18/57/13/233185713.db2.gz FHIKXDDYHNIRRW-CABZTGNLSA-N 1 1 284.743 2.451 10 5 CEBEMO C[C@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000401886284 233185716 /nfs/dbraw/zinc/18/57/16/233185716.db2.gz FHIKXDDYHNIRRW-CABZTGNLSA-N 1 1 284.743 2.451 10 5 CEBEMO C[C@H]([NH3+])c1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000090946475 180070253 /nfs/dbraw/zinc/07/02/53/180070253.db2.gz PWCKMQGZNXXEKV-ZETCQYMHSA-N 1 1 292.320 2.323 10 5 CEBEMO CCOCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000111122294 186354926 /nfs/dbraw/zinc/35/49/26/186354926.db2.gz LFTYWYGKRLXLLN-UHFFFAOYSA-N 1 1 267.329 2.035 10 5 CEBEMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@H]1CCCOC1 ZINC000111170648 186365784 /nfs/dbraw/zinc/36/57/84/186365784.db2.gz FNHZZCZLHPMBHM-LLVKDONJSA-N 1 1 279.340 2.035 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000113267141 364880510 /nfs/dbraw/zinc/88/05/10/364880510.db2.gz IBFLBDCTXNJKBM-IUODEOHRSA-N 1 1 275.352 2.263 10 5 CEBEMO O=[N+]([O-])c1cccc(F)c1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247371079 371100492 /nfs/dbraw/zinc/10/04/92/371100492.db2.gz USUQZXGVITWAAQ-NSHDSACASA-N 1 1 279.315 2.014 10 5 CEBEMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248664358 394545391 /nfs/dbraw/zinc/54/53/91/394545391.db2.gz JUYDBMAMMWWIFA-PWSUYJOCSA-N 1 1 295.387 2.260 10 5 CEBEMO Cc1cc(N2CCC[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122222551 394810360 /nfs/dbraw/zinc/81/03/60/394810360.db2.gz QBWSLNDTPFFTDY-LLVKDONJSA-N 1 1 286.335 2.379 10 5 CEBEMO CC(C)[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035532484 172243484 /nfs/dbraw/zinc/24/34/84/172243484.db2.gz QWZWWCLHHRFRKY-SNVBAGLBSA-N 1 1 262.269 2.301 10 5 CEBEMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037338993 173140581 /nfs/dbraw/zinc/14/05/81/173140581.db2.gz SRMKNFYUVKDOJT-SECBINFHSA-N 1 1 253.302 2.082 10 5 CEBEMO COc1cccc(N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000185170897 278016393 /nfs/dbraw/zinc/01/63/93/278016393.db2.gz AGPCOTQMSZYNKR-GFCCVEGCSA-N 1 1 291.351 2.278 10 5 CEBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C(C)C ZINC000050817935 520330889 /nfs/dbraw/zinc/33/08/89/520330889.db2.gz WHFMRTYJSKRXIE-UHFFFAOYSA-N 1 1 281.356 2.229 10 5 CEBEMO CNc1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000050792892 522608757 /nfs/dbraw/zinc/60/87/57/522608757.db2.gz XQTYSINXXUZUPQ-CYBMUJFWSA-N 1 1 293.367 2.373 10 5 CEBEMO CNc1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000050792893 522609598 /nfs/dbraw/zinc/60/95/98/522609598.db2.gz XQTYSINXXUZUPQ-ZDUSSCGKSA-N 1 1 293.367 2.373 10 5 CEBEMO CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH2+]C1 ZINC000261896611 522946785 /nfs/dbraw/zinc/94/67/85/522946785.db2.gz YCWRKLNLPGKPMI-AWEZNQCLSA-N 1 1 277.368 2.069 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172082804 639743013 /nfs/dbraw/zinc/74/30/13/639743013.db2.gz ATARPWYVPMLJIY-BXUZGUMPSA-N 1 1 293.342 2.402 10 5 CEBEMO CC[N@H+]1CC[C@@H](CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692033 180024394 /nfs/dbraw/zinc/02/43/94/180024394.db2.gz XWLDQUSBGWGDCL-NSHDSACASA-N 1 1 264.329 2.052 10 5 CEBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1O ZINC000157228686 188305035 /nfs/dbraw/zinc/30/50/35/188305035.db2.gz AIIIOPPECMAOTP-CABCVRRESA-N 1 1 278.352 2.373 10 5 CEBEMO CC[N@H+]1CCC[C@H](Nc2cccc(OC)c2[N+](=O)[O-])C1 ZINC000134908912 366372415 /nfs/dbraw/zinc/37/24/15/366372415.db2.gz DMXINEPAPNMNQM-NSHDSACASA-N 1 1 279.340 2.500 10 5 CEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000176976805 189017876 /nfs/dbraw/zinc/01/78/76/189017876.db2.gz UISLYAQSYDQXST-CQSZACIVSA-N 1 1 291.351 2.151 10 5 CEBEMO C[C@@H]1COC[C@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000120934942 365498963 /nfs/dbraw/zinc/49/89/63/365498963.db2.gz UGNIDQWOAPBRMF-TXEJJXNPSA-N 1 1 280.324 2.083 10 5 CEBEMO C[C@@H]1COC[C@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000120934942 365498970 /nfs/dbraw/zinc/49/89/70/365498970.db2.gz UGNIDQWOAPBRMF-TXEJJXNPSA-N 1 1 280.324 2.083 10 5 CEBEMO CCCCOC[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000193371091 369934587 /nfs/dbraw/zinc/93/45/87/369934587.db2.gz APRFOCVFCAMWRJ-CQSZACIVSA-N 1 1 296.367 2.204 10 5 CEBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000248629070 371225902 /nfs/dbraw/zinc/22/59/02/371225902.db2.gz OQWXDFPDFKFOMT-HNNXBMFYSA-N 1 1 275.352 2.183 10 5 CEBEMO CC[N@@H+]1CCO[C@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218851831 394457600 /nfs/dbraw/zinc/45/76/00/394457600.db2.gz WDOQOAJVMVSTKI-GFCCVEGCSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218851831 394457605 /nfs/dbraw/zinc/45/76/05/394457605.db2.gz WDOQOAJVMVSTKI-GFCCVEGCSA-N 1 1 279.340 2.036 10 5 CEBEMO Cc1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000249727198 394559073 /nfs/dbraw/zinc/55/90/73/394559073.db2.gz QTOXTVSDBPWXDM-ZDUSSCGKSA-N 1 1 261.325 2.188 10 5 CEBEMO Cc1c(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000568499527 395562818 /nfs/dbraw/zinc/56/28/18/395562818.db2.gz KVCUXFVJZPZANF-JSGCOSHPSA-N 1 1 277.368 2.381 10 5 CEBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000174865967 165119535 /nfs/dbraw/zinc/11/95/35/165119535.db2.gz IDENKBCFJZKZSQ-GFCCVEGCSA-N 1 1 276.296 2.221 10 5 CEBEMO C[C@@H](O)c1ccc(N(C)C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000071189658 176065495 /nfs/dbraw/zinc/06/54/95/176065495.db2.gz QCWSZYQKULXMKX-VXGBXAGGSA-N 1 1 293.367 2.036 10 5 CEBEMO C[N@@H+](CCNCc1ccc([N+](=O)[O-])o1)C1CCCC1 ZINC000071376931 176142194 /nfs/dbraw/zinc/14/21/94/176142194.db2.gz AQGKYVWVLMEYLW-UHFFFAOYSA-N 1 1 267.329 2.152 10 5 CEBEMO C[N@@H+](CCNc1ncnc(Cl)c1[N+](=O)[O-])C1CCCC1 ZINC000071379807 176144628 /nfs/dbraw/zinc/14/46/28/176144628.db2.gz KBGNAKLRNWMCRE-UHFFFAOYSA-N 1 1 299.762 2.325 10 5 CEBEMO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000061570040 518291323 /nfs/dbraw/zinc/29/13/23/518291323.db2.gz VMPYEQYSZANSSG-CYBMUJFWSA-N 1 1 291.351 2.328 10 5 CEBEMO CC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000052812380 521717898 /nfs/dbraw/zinc/71/78/98/521717898.db2.gz DWKPMNLCGMLIMX-LLVKDONJSA-N 1 1 264.329 2.052 10 5 CEBEMO C[C@@H]1CCC[N@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1C ZINC000050565947 524221222 /nfs/dbraw/zinc/22/12/22/524221222.db2.gz INNSKLCANFFXCM-NXEZZACHSA-N 1 1 265.313 2.226 10 5 CEBEMO C[C@@H]1CCC[N@@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1C ZINC000050565947 524221228 /nfs/dbraw/zinc/22/12/28/524221228.db2.gz INNSKLCANFFXCM-NXEZZACHSA-N 1 1 265.313 2.226 10 5 CEBEMO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000112336185 644090642 /nfs/dbraw/zinc/09/06/42/644090642.db2.gz CLDJIUPYQAFRFK-SNVBAGLBSA-N 1 1 296.298 2.119 10 5 CEBEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000112336185 644090656 /nfs/dbraw/zinc/09/06/56/644090656.db2.gz CLDJIUPYQAFRFK-SNVBAGLBSA-N 1 1 296.298 2.119 10 5 CEBEMO Cc1cc(NC(=O)c2csc(C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000090931619 180066192 /nfs/dbraw/zinc/06/61/92/180066192.db2.gz OSTGLOPMGOMNAB-UHFFFAOYSA-N 1 1 292.320 2.071 10 5 CEBEMO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000110732233 186318171 /nfs/dbraw/zinc/31/81/71/186318171.db2.gz NYPYAXQVBKVKIL-SECBINFHSA-N 1 1 297.742 2.024 10 5 CEBEMO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000110732233 186318172 /nfs/dbraw/zinc/31/81/72/186318172.db2.gz NYPYAXQVBKVKIL-SECBINFHSA-N 1 1 297.742 2.024 10 5 CEBEMO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2NC)CC[N@H+]1C ZINC000110743031 186318565 /nfs/dbraw/zinc/31/85/65/186318565.db2.gz BADYIIIZWICFBJ-ZDUSSCGKSA-N 1 1 292.383 2.163 10 5 CEBEMO CCOCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000111122289 186355082 /nfs/dbraw/zinc/35/50/82/186355082.db2.gz REDGPXCWWABMGF-UHFFFAOYSA-N 1 1 281.356 2.495 10 5 CEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000176974460 189018270 /nfs/dbraw/zinc/01/82/70/189018270.db2.gz NBBBUVIZIIMUMQ-CQSZACIVSA-N 1 1 291.351 2.151 10 5 CEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000177017091 189021083 /nfs/dbraw/zinc/02/10/83/189021083.db2.gz JUHYKBAWSGKVDQ-JTQLQIEISA-N 1 1 297.380 2.213 10 5 CEBEMO C[C@@H]1COC[C@@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000120935231 365499020 /nfs/dbraw/zinc/49/90/20/365499020.db2.gz UGNIDQWOAPBRMF-VXGBXAGGSA-N 1 1 280.324 2.083 10 5 CEBEMO CCCCOC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000193371103 369934273 /nfs/dbraw/zinc/93/42/73/369934273.db2.gz APRFOCVFCAMWRJ-AWEZNQCLSA-N 1 1 296.367 2.204 10 5 CEBEMO [NH3+]CC(F)(F)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000236185749 370585951 /nfs/dbraw/zinc/58/59/51/370585951.db2.gz URSRIWNEXDAIDA-UHFFFAOYSA-N 1 1 265.647 2.254 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000247203705 371075259 /nfs/dbraw/zinc/07/52/59/371075259.db2.gz LSNMZBNHZGCBRM-DOMZBBRYSA-N 1 1 275.352 2.263 10 5 CEBEMO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000389467205 375303620 /nfs/dbraw/zinc/30/36/20/375303620.db2.gz UCSZZKKAPXDCHS-MRVPVSSYSA-N 1 1 270.720 2.149 10 5 CEBEMO Cc1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000245417778 394499091 /nfs/dbraw/zinc/49/90/91/394499091.db2.gz KLMGMJUZARWXKZ-ZDUSSCGKSA-N 1 1 261.325 2.188 10 5 CEBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000176247140 165159321 /nfs/dbraw/zinc/15/93/21/165159321.db2.gz QVJVCEOOJXJUCG-NSHDSACASA-N 1 1 276.296 2.221 10 5 CEBEMO CC[N@@H+]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000040502456 174298792 /nfs/dbraw/zinc/29/87/92/174298792.db2.gz ODASFZLWHKBSQR-CYBMUJFWSA-N 1 1 263.341 2.169 10 5 CEBEMO CC[N@H+]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000040502456 174298793 /nfs/dbraw/zinc/29/87/93/174298793.db2.gz ODASFZLWHKBSQR-CYBMUJFWSA-N 1 1 263.341 2.169 10 5 CEBEMO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000040675963 174373502 /nfs/dbraw/zinc/37/35/02/174373502.db2.gz NMMFDFFFIODAEA-HIFRSBDPSA-N 1 1 291.395 2.457 10 5 CEBEMO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071189381 176064882 /nfs/dbraw/zinc/06/48/82/176064882.db2.gz GDXDWTRPYLUOPG-LBPRGKRZSA-N 1 1 291.351 2.185 10 5 CEBEMO CN(C[C@@H]1CC[N@@H+](C)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000071192669 176074545 /nfs/dbraw/zinc/07/45/45/176074545.db2.gz VJXGPQVMRCOOOK-SNVBAGLBSA-N 1 1 267.304 2.122 10 5 CEBEMO Cc1cc(N[C@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122224002 274720319 /nfs/dbraw/zinc/72/03/19/274720319.db2.gz FWWBZVMFBMCCFM-JTQLQIEISA-N 1 1 272.308 2.225 10 5 CEBEMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052841394 519688719 /nfs/dbraw/zinc/68/87/19/519688719.db2.gz BLWDDHROTYMAKA-LLVKDONJSA-N 1 1 278.356 2.319 10 5 CEBEMO CCCNC(=O)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443738 519892351 /nfs/dbraw/zinc/89/23/51/519892351.db2.gz FOSMENOPROZOGU-VIFPVBQESA-N 1 1 299.758 2.253 10 5 CEBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052762738 527356539 /nfs/dbraw/zinc/35/65/39/527356539.db2.gz MTQNVXNOSOZSKV-ZDUSSCGKSA-N 1 1 282.315 2.471 10 5 CEBEMO CC[N@@H+]1CCO[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000166121492 344475911 /nfs/dbraw/zinc/47/59/11/344475911.db2.gz FCSWEVUIYZOZRV-JTQLQIEISA-N 1 1 299.758 2.381 10 5 CEBEMO CC[N@H+]1CCO[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000166121492 344475913 /nfs/dbraw/zinc/47/59/13/344475913.db2.gz FCSWEVUIYZOZRV-JTQLQIEISA-N 1 1 299.758 2.381 10 5 CEBEMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052762348 362473774 /nfs/dbraw/zinc/47/37/74/362473774.db2.gz PLZDKKPLBULXLO-ZDUSSCGKSA-N 1 1 264.325 2.332 10 5 CEBEMO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000401915774 233186348 /nfs/dbraw/zinc/18/63/48/233186348.db2.gz SPVPXHUQXDAHJC-CABZTGNLSA-N 1 1 284.743 2.451 10 5 CEBEMO C[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000401915774 233186350 /nfs/dbraw/zinc/18/63/50/233186350.db2.gz SPVPXHUQXDAHJC-CABZTGNLSA-N 1 1 284.743 2.451 10 5 CEBEMO CCCc1nn(C)c(NC[C@@H]2CC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000091584109 180199595 /nfs/dbraw/zinc/19/95/95/180199595.db2.gz HWUIPTUUENXHRK-NSHDSACASA-N 1 1 295.387 2.035 10 5 CEBEMO [NH3+][C@H]1C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000109576005 186263722 /nfs/dbraw/zinc/26/37/22/186263722.db2.gz LYXWOAOCSLHMOV-CYBMUJFWSA-N 1 1 285.259 2.339 10 5 CEBEMO O=[N+]([O-])c1ccccc1/C=C\CN1CC[N@H+]2CCC[C@H]2C1 ZINC000255205218 371567632 /nfs/dbraw/zinc/56/76/32/371567632.db2.gz YCRIXHZECSDDEM-BYPUDFOVSA-N 1 1 287.363 2.388 10 5 CEBEMO CCNc1ccc(C[N@@H+](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000050817932 520300856 /nfs/dbraw/zinc/30/08/56/520300856.db2.gz XNLKBLPNNOENHM-UHFFFAOYSA-N 1 1 281.356 2.229 10 5 CEBEMO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000068650855 521156471 /nfs/dbraw/zinc/15/64/71/521156471.db2.gz YXNCOJNGNLAEDH-YGRLFVJLSA-N 1 1 296.323 2.033 10 5 CEBEMO C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1N ZINC000052841307 523800266 /nfs/dbraw/zinc/80/02/66/523800266.db2.gz HLVMULIBWUTSFU-NSHDSACASA-N 1 1 264.329 2.073 10 5 CEBEMO C[N@H+]1CC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443496 523962278 /nfs/dbraw/zinc/96/22/78/523962278.db2.gz BZVUELGHNKOTOS-JTQLQIEISA-N 1 1 283.759 2.290 10 5 CEBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CN1CCCC1 ZINC000049165342 525464426 /nfs/dbraw/zinc/46/44/26/525464426.db2.gz LWJMOARZRYIIGP-GFCCVEGCSA-N 1 1 293.367 2.177 10 5 CEBEMO O=C(C[N@H+]1CCC[C@H]1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000052761367 526759253 /nfs/dbraw/zinc/75/92/53/526759253.db2.gz PIJNGDWCEKKGNY-ZDUSSCGKSA-N 1 1 292.335 2.014 10 5 CEBEMO O=C(C[N@@H+]1CCC[C@H]1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000052761367 526759258 /nfs/dbraw/zinc/75/92/58/526759258.db2.gz PIJNGDWCEKKGNY-ZDUSSCGKSA-N 1 1 292.335 2.014 10 5 CEBEMO CC[N@@H+]1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888051 365935885 /nfs/dbraw/zinc/93/58/85/365935885.db2.gz DUVBJRUFFIDQFV-DGCLKSJQSA-N 1 1 263.341 2.340 10 5 CEBEMO CC[N@H+]1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888051 365935890 /nfs/dbraw/zinc/93/58/90/365935890.db2.gz DUVBJRUFFIDQFV-DGCLKSJQSA-N 1 1 263.341 2.340 10 5 CEBEMO Cc1nc(C[C@H]2CC[NH2+]C2)[nH]c1-c1cccc([N+](=O)[O-])c1 ZINC000089749953 179858901 /nfs/dbraw/zinc/85/89/01/179858901.db2.gz OTYYUUQNYULUIK-LLVKDONJSA-N 1 1 286.335 2.445 10 5 CEBEMO C[C@@H]1CCC[N@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000110806969 186326427 /nfs/dbraw/zinc/32/64/27/186326427.db2.gz RTVZZHJHBWXZNI-SNVBAGLBSA-N 1 1 265.313 2.228 10 5 CEBEMO C[C@@H]1CCC[N@@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000110806969 186326429 /nfs/dbraw/zinc/32/64/29/186326429.db2.gz RTVZZHJHBWXZNI-SNVBAGLBSA-N 1 1 265.313 2.228 10 5 CEBEMO CC[C@H]1CN(Cc2ccc(NC)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000110743022 186319280 /nfs/dbraw/zinc/31/92/80/186319280.db2.gz OLGCDKQUZUQOQH-ZDUSSCGKSA-N 1 1 292.383 2.163 10 5 CEBEMO CC[N@H+]1CCC[C@@H]1CN(C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302026772 201306538 /nfs/dbraw/zinc/30/65/38/201306538.db2.gz IKOOOISTYRTPAM-CYBMUJFWSA-N 1 1 293.367 2.008 10 5 CEBEMO CC[N@H+]1CCCC[C@@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302080219 201335788 /nfs/dbraw/zinc/33/57/88/201335788.db2.gz ZWHFBAFCBNTQLN-CYBMUJFWSA-N 1 1 293.367 2.373 10 5 CEBEMO CC[C@@](C)(O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000187329390 369140511 /nfs/dbraw/zinc/14/05/11/369140511.db2.gz AHRSRMPUGYRYGV-CYBMUJFWSA-N 1 1 252.314 2.188 10 5 CEBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@H+](C)CCO1 ZINC000276517953 193365208 /nfs/dbraw/zinc/36/52/08/193365208.db2.gz UNODDDHHWONMHN-LLVKDONJSA-N 1 1 299.758 2.299 10 5 CEBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000276517953 193365210 /nfs/dbraw/zinc/36/52/10/193365210.db2.gz UNODDDHHWONMHN-LLVKDONJSA-N 1 1 299.758 2.299 10 5 CEBEMO C[C@H](NC[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000219162258 370220271 /nfs/dbraw/zinc/22/02/71/370220271.db2.gz JVGOBVQSWAKVDQ-RYUDHWBXSA-N 1 1 263.341 2.340 10 5 CEBEMO C[C@H](NC[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000219162258 370220279 /nfs/dbraw/zinc/22/02/79/370220279.db2.gz JVGOBVQSWAKVDQ-RYUDHWBXSA-N 1 1 263.341 2.340 10 5 CEBEMO [NH3+]CC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000020389846 171179057 /nfs/dbraw/zinc/17/90/57/171179057.db2.gz QIYXLVSWTQAHCW-UHFFFAOYSA-N 1 1 253.257 2.088 10 5 CEBEMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000037331856 173133660 /nfs/dbraw/zinc/13/36/60/173133660.db2.gz ZEJNDPRKNXDPHU-NXEZZACHSA-N 1 1 265.313 2.084 10 5 CEBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000171939178 275036594 /nfs/dbraw/zinc/03/65/94/275036594.db2.gz GTFMVNGHNJGMSL-GFCCVEGCSA-N 1 1 298.346 2.427 10 5 CEBEMO Cc1c(C[N@H+]2C[C@H](C)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000401691960 533847223 /nfs/dbraw/zinc/84/72/23/533847223.db2.gz GVNAZNOUZQVQHG-ZWNOBZJWSA-N 1 1 264.325 2.106 10 5 CEBEMO CC[N@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)CC1CC1 ZINC000069239768 521322894 /nfs/dbraw/zinc/32/28/94/521322894.db2.gz WVFDDXGKJZWUID-UHFFFAOYSA-N 1 1 264.329 2.112 10 5 CEBEMO CCOC(=O)[C@](C)([NH3+])C[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000068651505 521330618 /nfs/dbraw/zinc/33/06/18/521330618.db2.gz YFKLOOMZKQWLDA-IINYFYTJSA-N 1 1 296.323 2.033 10 5 CEBEMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000052926175 524908792 /nfs/dbraw/zinc/90/87/92/524908792.db2.gz NMHPCTARKODRBG-XUJVJEKNSA-N 1 1 277.368 2.413 10 5 CEBEMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926175 524908822 /nfs/dbraw/zinc/90/88/22/524908822.db2.gz NMHPCTARKODRBG-XUJVJEKNSA-N 1 1 277.368 2.413 10 5 CEBEMO Cn1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000050443659 527218542 /nfs/dbraw/zinc/21/85/42/527218542.db2.gz GKRFRVKYJKCMJT-UHFFFAOYSA-N 1 1 280.715 2.272 10 5 CEBEMO CC(C)[N@@H+]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000033506599 361782177 /nfs/dbraw/zinc/78/21/77/361782177.db2.gz IKRIJCFBDQXYMM-ZDUSSCGKSA-N 1 1 250.298 2.377 10 5 CEBEMO CC(C)[N@H+]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000033506599 361782182 /nfs/dbraw/zinc/78/21/82/361782182.db2.gz IKRIJCFBDQXYMM-ZDUSSCGKSA-N 1 1 250.298 2.377 10 5 CEBEMO COC(=O)c1cc(F)cc([N+](=O)[O-])c1/C=C/[NH+](C)C ZINC000091351745 180137479 /nfs/dbraw/zinc/13/74/79/180137479.db2.gz TZWPXRLUBFVKML-SNAWJCMRSA-N 1 1 268.244 2.053 10 5 CEBEMO Cc1c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000091673154 180224377 /nfs/dbraw/zinc/22/43/77/180224377.db2.gz MGGIMCZRPQLZHP-OLZOCXBDSA-N 1 1 291.351 2.178 10 5 CEBEMO O=[N+]([O-])c1cc(F)cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091672899 180224539 /nfs/dbraw/zinc/22/45/39/180224539.db2.gz ZFLPAQMFJAUFHN-TZMCWYRMSA-N 1 1 295.314 2.009 10 5 CEBEMO Cc1c(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261796232 371735476 /nfs/dbraw/zinc/73/54/76/371735476.db2.gz QUXGMRXSHMPGRY-IHRRRGAJSA-N 1 1 275.352 2.072 10 5 CEBEMO CC[N@H+]1CC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000389307051 375301088 /nfs/dbraw/zinc/30/10/88/375301088.db2.gz FMENNVCUAWWCBY-MRVPVSSYSA-N 1 1 271.267 2.379 10 5 CEBEMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000246062973 285079710 /nfs/dbraw/zinc/07/97/10/285079710.db2.gz GZUAIVVXSXBUQX-LBPRGKRZSA-N 1 1 298.346 2.427 10 5 CEBEMO CCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443737 519888615 /nfs/dbraw/zinc/88/86/15/519888615.db2.gz FOSMENOPROZOGU-SECBINFHSA-N 1 1 299.758 2.253 10 5 CEBEMO CCO[C@H]1CCC[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050818022 520526546 /nfs/dbraw/zinc/52/65/46/520526546.db2.gz BKVKULMKKVLMFX-LBPRGKRZSA-N 1 1 279.340 2.178 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCO)C(C)C ZINC000050818072 522645799 /nfs/dbraw/zinc/64/57/99/522645799.db2.gz PBUCKBTYKWFPCM-UHFFFAOYSA-N 1 1 281.356 2.229 10 5 CEBEMO C[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N ZINC000052841305 523796142 /nfs/dbraw/zinc/79/61/42/523796142.db2.gz HLVMULIBWUTSFU-LLVKDONJSA-N 1 1 264.329 2.073 10 5 CEBEMO Cc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000054822318 526891598 /nfs/dbraw/zinc/89/15/98/526891598.db2.gz JAUOWIHXBBSYAU-VIFPVBQESA-N 1 1 260.297 2.477 10 5 CEBEMO Cc1cc(N(C)C[C@@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000312228105 628194078 /nfs/dbraw/zinc/19/40/78/628194078.db2.gz CAOULUZASYMCQS-SECBINFHSA-N 1 1 274.324 2.235 10 5 CEBEMO CC[N@@H+]1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888056 365935604 /nfs/dbraw/zinc/93/56/04/365935604.db2.gz DUVBJRUFFIDQFV-YPMHNXCESA-N 1 1 263.341 2.340 10 5 CEBEMO CC[N@H+]1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888056 365935610 /nfs/dbraw/zinc/93/56/10/365935610.db2.gz DUVBJRUFFIDQFV-YPMHNXCESA-N 1 1 263.341 2.340 10 5 CEBEMO CC[N@H+]1CCC[C@H](Nc2c([N+](=O)[O-])c(C(C)C)nn2C)C1 ZINC000091580788 180198737 /nfs/dbraw/zinc/19/87/37/180198737.db2.gz AKQNNMOZAPORPD-NSHDSACASA-N 1 1 295.387 2.348 10 5 CEBEMO C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)CC1CCOCC1 ZINC000111170883 186365486 /nfs/dbraw/zinc/36/54/86/186365486.db2.gz BNMRVGVIZDAMBM-UHFFFAOYSA-N 1 1 279.340 2.035 10 5 CEBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000183334511 189355357 /nfs/dbraw/zinc/35/53/57/189355357.db2.gz OQWXDFPDFKFOMT-OAHLLOKOSA-N 1 1 275.352 2.183 10 5 CEBEMO O=[N+]([O-])c1ccc(CCN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000172800837 367821685 /nfs/dbraw/zinc/82/16/85/367821685.db2.gz RWGJUOSYHUOCRR-MRXNPFEDSA-N 1 1 289.379 2.307 10 5 CEBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000172800837 367821691 /nfs/dbraw/zinc/82/16/91/367821691.db2.gz RWGJUOSYHUOCRR-MRXNPFEDSA-N 1 1 289.379 2.307 10 5 CEBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000172800837 367821697 /nfs/dbraw/zinc/82/16/97/367821697.db2.gz RWGJUOSYHUOCRR-MRXNPFEDSA-N 1 1 289.379 2.307 10 5 CEBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CCCO)c(F)c1 ZINC000304524139 379584490 /nfs/dbraw/zinc/58/44/90/379584490.db2.gz YPDIICJVTWNWSF-LBPRGKRZSA-N 1 1 282.315 2.471 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1 ZINC000301989617 394470351 /nfs/dbraw/zinc/47/03/51/394470351.db2.gz ONKWGNYXSOYHQO-RISCZKNCSA-N 1 1 261.325 2.268 10 5 CEBEMO CCC[N@H+]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302026342 394471175 /nfs/dbraw/zinc/47/11/75/394471175.db2.gz ICWZIBHCYZNWMX-UHFFFAOYSA-N 1 1 293.367 2.009 10 5 CEBEMO CC[N@@H+](C)[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000302770282 394476820 /nfs/dbraw/zinc/47/68/20/394476820.db2.gz MRMIBUBLIUWTPN-SNVBAGLBSA-N 1 1 284.747 2.174 10 5 CEBEMO Cn1cc[nH+]c1CCNc1cc(F)cc([N+](=O)[O-])c1 ZINC000040639636 174363553 /nfs/dbraw/zinc/36/35/53/174363553.db2.gz JLWKTSZQFYVKJB-UHFFFAOYSA-N 1 1 264.260 2.122 10 5 CEBEMO C[N@@H+]1CCCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000044561553 175205183 /nfs/dbraw/zinc/20/51/83/175205183.db2.gz OUPKPBQGFNWXQY-CYBMUJFWSA-N 1 1 263.341 2.169 10 5 CEBEMO C[N@H+]1CCCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000044561553 175205184 /nfs/dbraw/zinc/20/51/84/175205184.db2.gz OUPKPBQGFNWXQY-CYBMUJFWSA-N 1 1 263.341 2.169 10 5 CEBEMO O=[N+]([O-])c1cc(F)c(N2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000178869543 275033805 /nfs/dbraw/zinc/03/38/05/275033805.db2.gz HBQZKNRSBIAUSU-SECBINFHSA-N 1 1 283.278 2.157 10 5 CEBEMO CCCNc1ccc(C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000050816607 520157321 /nfs/dbraw/zinc/15/73/21/520157321.db2.gz LMRANUBETPABRW-ZDUSSCGKSA-N 1 1 293.367 2.373 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CCCO ZINC000052763222 522646848 /nfs/dbraw/zinc/64/68/48/522646848.db2.gz IFXUQIMFXCSWNY-ZDUSSCGKSA-N 1 1 293.367 2.373 10 5 CEBEMO O=[N+]([O-])c1ccccc1CC[N@H+](CCO)C1CCCC1 ZINC000062727291 527397948 /nfs/dbraw/zinc/39/79/48/527397948.db2.gz YRYNNYMIBJGTHM-UHFFFAOYSA-N 1 1 278.352 2.374 10 5 CEBEMO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000401886286 233185832 /nfs/dbraw/zinc/18/58/32/233185832.db2.gz FHIKXDDYHNIRRW-JOYOIKCWSA-N 1 1 284.743 2.451 10 5 CEBEMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000401886286 233185834 /nfs/dbraw/zinc/18/58/34/233185834.db2.gz FHIKXDDYHNIRRW-JOYOIKCWSA-N 1 1 284.743 2.451 10 5 CEBEMO CNc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000107065226 186158859 /nfs/dbraw/zinc/15/88/59/186158859.db2.gz FDMWHMXEHCPYIS-CYBMUJFWSA-N 1 1 293.367 2.495 10 5 CEBEMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000177101864 189028480 /nfs/dbraw/zinc/02/84/80/189028480.db2.gz LSZGYZZQTPRLDF-HNNXBMFYSA-N 1 1 286.335 2.456 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000113267977 364880730 /nfs/dbraw/zinc/88/07/30/364880730.db2.gz XNPXCBYRRLGDLT-XJKSGUPXSA-N 1 1 289.379 2.306 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000247508310 394531926 /nfs/dbraw/zinc/53/19/26/394531926.db2.gz VPHUQNHDAXZLLV-RYUDHWBXSA-N 1 1 293.342 2.402 10 5 CEBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](CCO)C1 ZINC000227569270 153346908 /nfs/dbraw/zinc/34/69/08/153346908.db2.gz VIMFCYHFCQUUCA-JTQLQIEISA-N 1 1 284.743 2.453 10 5 CEBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227569270 153346914 /nfs/dbraw/zinc/34/69/14/153346914.db2.gz VIMFCYHFCQUUCA-JTQLQIEISA-N 1 1 284.743 2.453 10 5 CEBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000174865959 165118536 /nfs/dbraw/zinc/11/85/36/165118536.db2.gz IDENKBCFJZKZSQ-LBPRGKRZSA-N 1 1 276.296 2.221 10 5 CEBEMO CC[N@H+]1CCC[C@@H]1CNc1ccc(OC)cc1[N+](=O)[O-] ZINC000021049983 171294961 /nfs/dbraw/zinc/29/49/61/171294961.db2.gz VOQKBKJDWSZLSX-LLVKDONJSA-N 1 1 279.340 2.500 10 5 CEBEMO CC[N@@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCC1 ZINC000037337487 173138602 /nfs/dbraw/zinc/13/86/02/173138602.db2.gz KTWLMAAWMNFBLS-UHFFFAOYSA-N 1 1 265.313 2.370 10 5 CEBEMO CCC[C@@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732011 175240910 /nfs/dbraw/zinc/24/09/10/175240910.db2.gz GYAZDQTXYPQWEV-SECBINFHSA-N 1 1 262.269 2.445 10 5 CEBEMO CC(=O)c1ccc(N(C)C[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000071189367 176064216 /nfs/dbraw/zinc/06/42/16/176064216.db2.gz QTAIHLNDNVAXBJ-LBPRGKRZSA-N 1 1 291.351 2.185 10 5 CEBEMO CC[N@@H+](C)[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000302784926 276078642 /nfs/dbraw/zinc/07/86/42/276078642.db2.gz UZNPVBIUXAGUGF-NSHDSACASA-N 1 1 267.304 2.264 10 5 CEBEMO Cc1c(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000568499529 313960848 /nfs/dbraw/zinc/96/08/48/313960848.db2.gz KVCUXFVJZPZANF-TZMCWYRMSA-N 1 1 277.368 2.381 10 5 CEBEMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N ZINC000052840242 521641100 /nfs/dbraw/zinc/64/11/00/521641100.db2.gz HGWWRAXHEXPMIK-LLVKDONJSA-N 1 1 264.329 2.073 10 5 CEBEMO COCC[C@H]([NH3+])c1nc(C)c(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000052811210 521951584 /nfs/dbraw/zinc/95/15/84/521951584.db2.gz LORCGQANIUJIPI-LBPRGKRZSA-N 1 1 290.323 2.330 10 5 CEBEMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@@H]1CCCCO1 ZINC000050815041 523185531 /nfs/dbraw/zinc/18/55/31/523185531.db2.gz AJAIVCKQCLVLJV-ZDUSSCGKSA-N 1 1 279.340 2.178 10 5 CEBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+](CCO)C1CCCC1 ZINC000050106721 527356838 /nfs/dbraw/zinc/35/68/38/527356838.db2.gz PCZMKJOELWGFCU-UHFFFAOYSA-N 1 1 282.315 2.471 10 5 CEBEMO Nc1ccc(C[N@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000050817838 527482072 /nfs/dbraw/zinc/48/20/72/527482072.db2.gz HCTAQODIWZRGOX-UHFFFAOYSA-N 1 1 267.354 2.116 10 5 CEBEMO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325507 346821591 /nfs/dbraw/zinc/82/15/91/346821591.db2.gz DJKITONJSFTQCJ-WOPDTQHZSA-N 1 1 263.341 2.182 10 5 CEBEMO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000401915776 233186322 /nfs/dbraw/zinc/18/63/22/233186322.db2.gz SPVPXHUQXDAHJC-JOYOIKCWSA-N 1 1 284.743 2.451 10 5 CEBEMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000401915776 233186324 /nfs/dbraw/zinc/18/63/24/233186324.db2.gz SPVPXHUQXDAHJC-JOYOIKCWSA-N 1 1 284.743 2.451 10 5 CEBEMO CC[N@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C(C)C)nn1C ZINC000091576383 180197800 /nfs/dbraw/zinc/19/78/00/180197800.db2.gz DUXRFWKHWMROMD-LLVKDONJSA-N 1 1 295.387 2.348 10 5 CEBEMO CCOCC[N@@H+](CC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000107062201 186157894 /nfs/dbraw/zinc/15/78/94/186157894.db2.gz NACGBWPCZSQGIZ-UHFFFAOYSA-N 1 1 281.356 2.495 10 5 CEBEMO Cc1c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cccc1[N+](=O)[O-] ZINC000107927479 186197956 /nfs/dbraw/zinc/19/79/56/186197956.db2.gz PPOVINVODNQBPE-PBWFPOADSA-N 1 1 276.336 2.391 10 5 CEBEMO COc1cc(NC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000111048899 186348403 /nfs/dbraw/zinc/34/84/03/186348403.db2.gz MZZUBEDJPZOLES-GFCCVEGCSA-N 1 1 279.340 2.500 10 5 CEBEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000296286228 199842472 /nfs/dbraw/zinc/84/24/72/199842472.db2.gz OYTKMDWIWGFKOR-TVQRCGJNSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000296286228 199842474 /nfs/dbraw/zinc/84/24/74/199842474.db2.gz OYTKMDWIWGFKOR-TVQRCGJNSA-N 1 1 268.288 2.079 10 5 CEBEMO O=[N+]([O-])c1ccc(C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000205096988 370154311 /nfs/dbraw/zinc/15/43/11/370154311.db2.gz SFPGFFDTDYZFFR-UHFFFAOYSA-N 1 1 265.269 2.489 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000247203715 394527575 /nfs/dbraw/zinc/52/75/75/394527575.db2.gz LSNMZBNHZGCBRM-WFASDCNBSA-N 1 1 275.352 2.263 10 5 CEBEMO Cc1nccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000038037902 174038691 /nfs/dbraw/zinc/03/86/91/174038691.db2.gz BCOJAGNUZLAKRZ-UHFFFAOYSA-N 1 1 272.308 2.291 10 5 CEBEMO CC[N@H+]1CCC[C@@H](Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000040503224 174299588 /nfs/dbraw/zinc/29/95/88/174299588.db2.gz PAVCCUOIZMRFKZ-LLVKDONJSA-N 1 1 279.340 2.500 10 5 CEBEMO COc1cccc(N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000253580005 278016326 /nfs/dbraw/zinc/01/63/26/278016326.db2.gz AGPCOTQMSZYNKR-LBPRGKRZSA-N 1 1 291.351 2.278 10 5 CEBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000050791814 520330042 /nfs/dbraw/zinc/33/00/42/520330042.db2.gz WVFXCCWRZONEBF-GFCCVEGCSA-N 1 1 293.367 2.231 10 5 CEBEMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1N ZINC000052840244 521658077 /nfs/dbraw/zinc/65/80/77/521658077.db2.gz HGWWRAXHEXPMIK-NSHDSACASA-N 1 1 264.329 2.073 10 5 CEBEMO C[N@H+](Cc1cccnc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813894 523417393 /nfs/dbraw/zinc/41/73/93/523417393.db2.gz HLNKHLGMLIZBDA-UHFFFAOYSA-N 1 1 272.308 2.204 10 5 CEBEMO C[N@@H+](Cc1cccnc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813894 523417400 /nfs/dbraw/zinc/41/74/00/523417400.db2.gz HLNKHLGMLIZBDA-UHFFFAOYSA-N 1 1 272.308 2.204 10 5 CEBEMO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]([NH3+])C2CC2)n1 ZINC000054503286 526066896 /nfs/dbraw/zinc/06/68/96/526066896.db2.gz LPJJLWGMSQGAML-NSHDSACASA-N 1 1 274.280 2.363 10 5 CEBEMO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]([NH3+])C2CC2)n1 ZINC000054503284 526069071 /nfs/dbraw/zinc/06/90/71/526069071.db2.gz LPJJLWGMSQGAML-LLVKDONJSA-N 1 1 274.280 2.363 10 5 CEBEMO CCCC[C@@H]([NH3+])C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000144746143 344408358 /nfs/dbraw/zinc/40/83/58/344408358.db2.gz KWAQQQQEUUGAOJ-GFCCVEGCSA-N 1 1 266.297 2.156 10 5 CEBEMO CC[N@@H+]1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888054 365935726 /nfs/dbraw/zinc/93/57/26/365935726.db2.gz DUVBJRUFFIDQFV-WCQYABFASA-N 1 1 263.341 2.340 10 5 CEBEMO CC[N@H+]1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888054 365935733 /nfs/dbraw/zinc/93/57/33/365935733.db2.gz DUVBJRUFFIDQFV-WCQYABFASA-N 1 1 263.341 2.340 10 5 CEBEMO C[N@H+]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000086818608 179347374 /nfs/dbraw/zinc/34/73/74/179347374.db2.gz MGSKJFBCQQJZAD-CYBMUJFWSA-N 1 1 263.341 2.169 10 5 CEBEMO CC(C)c1nn(C)c(NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000091582911 180198766 /nfs/dbraw/zinc/19/87/66/180198766.db2.gz HQTNNAKMQAOQOY-UHFFFAOYSA-N 1 1 283.376 2.204 10 5 CEBEMO CCCc1nn(C)c(N[C@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000091582518 180198842 /nfs/dbraw/zinc/19/88/42/180198842.db2.gz XJCLZOXYNYVOKZ-NSHDSACASA-N 1 1 295.387 2.177 10 5 CEBEMO CNc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000107065224 186159283 /nfs/dbraw/zinc/15/92/83/186159283.db2.gz FDMWHMXEHCPYIS-ZDUSSCGKSA-N 1 1 293.367 2.495 10 5 CEBEMO C[C@@H](O)c1ccc(N(C)[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000109584072 186264319 /nfs/dbraw/zinc/26/43/19/186264319.db2.gz YBFPRZDDLFNIRF-YPMHNXCESA-N 1 1 293.367 2.179 10 5 CEBEMO CC(C)[N@@H+]1C[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302062086 201327436 /nfs/dbraw/zinc/32/74/36/201327436.db2.gz SHYUGMAEWIZVFE-FZMZJTMJSA-N 1 1 293.367 2.228 10 5 CEBEMO CC[N@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000389252105 375300127 /nfs/dbraw/zinc/30/01/27/375300127.db2.gz BRPQPCCAASYPPZ-VIFPVBQESA-N 1 1 270.720 2.149 10 5 CEBEMO CC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290511 375301943 /nfs/dbraw/zinc/30/19/43/375301943.db2.gz XIVQTMMCIZTMMK-WCQYABFASA-N 1 1 263.341 2.340 10 5 CEBEMO CC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290511 375301945 /nfs/dbraw/zinc/30/19/45/375301945.db2.gz XIVQTMMCIZTMMK-WCQYABFASA-N 1 1 263.341 2.340 10 5 CEBEMO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000129611646 394869368 /nfs/dbraw/zinc/86/93/68/394869368.db2.gz NILAAJKOXLDAIE-JQWIXIFHSA-N 1 1 278.356 2.439 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)COC ZINC000050815223 522644258 /nfs/dbraw/zinc/64/42/58/522644258.db2.gz PUNZKEDDFRQIDL-JTQLQIEISA-N 1 1 267.329 2.103 10 5 CEBEMO CC[C@@H]1CCC[N@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000037339511 173139891 /nfs/dbraw/zinc/13/98/91/173139891.db2.gz ZGNXCQZLPDWYHG-SNVBAGLBSA-N 1 1 265.313 2.228 10 5 CEBEMO CC[C@@H]1CCC[N@@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000037339511 173139894 /nfs/dbraw/zinc/13/98/94/173139894.db2.gz ZGNXCQZLPDWYHG-SNVBAGLBSA-N 1 1 265.313 2.228 10 5 CEBEMO CC(C)[NH2+]Cc1noc(-c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000051860933 519730287 /nfs/dbraw/zinc/73/02/87/519730287.db2.gz NCAKXUKMRLSVOV-UHFFFAOYSA-N 1 1 280.259 2.282 10 5 CEBEMO CC[C@@H](C)[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816985 522092181 /nfs/dbraw/zinc/09/21/81/522092181.db2.gz SNNLXOKEHSUZTK-LLVKDONJSA-N 1 1 281.356 2.424 10 5 CEBEMO COC(=O)CC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445120 523058317 /nfs/dbraw/zinc/05/83/17/523058317.db2.gz UNQJNZIUMFDWQT-UHFFFAOYSA-N 1 1 286.715 2.243 10 5 CEBEMO COC(=O)CC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445120 523058330 /nfs/dbraw/zinc/05/83/30/523058330.db2.gz UNQJNZIUMFDWQT-UHFFFAOYSA-N 1 1 286.715 2.243 10 5 CEBEMO [NH3+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000054502933 527339409 /nfs/dbraw/zinc/33/94/09/527339409.db2.gz IFNWRNUQSROURS-SNVBAGLBSA-N 1 1 260.253 2.055 10 5 CEBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052761956 527349013 /nfs/dbraw/zinc/34/90/13/527349013.db2.gz DEHIYFXHKDIYOV-ZDUSSCGKSA-N 1 1 264.325 2.332 10 5 CEBEMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CCO)C2)ccc1Cl ZINC000122168157 648141245 /nfs/dbraw/zinc/14/12/45/648141245.db2.gz KRGLNATZUMHPAC-SNVBAGLBSA-N 1 1 284.743 2.453 10 5 CEBEMO CC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888048 365935490 /nfs/dbraw/zinc/93/54/90/365935490.db2.gz DUVBJRUFFIDQFV-AAEUAGOBSA-N 1 1 263.341 2.340 10 5 CEBEMO CC[N@H+]1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888048 365935497 /nfs/dbraw/zinc/93/54/97/365935497.db2.gz DUVBJRUFFIDQFV-AAEUAGOBSA-N 1 1 263.341 2.340 10 5 CEBEMO CC[N@H+]1CC[C@H](CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692032 180024787 /nfs/dbraw/zinc/02/47/87/180024787.db2.gz XWLDQUSBGWGDCL-LLVKDONJSA-N 1 1 264.329 2.052 10 5 CEBEMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1[N+](=O)[O-] ZINC000107927882 186198369 /nfs/dbraw/zinc/19/83/69/186198369.db2.gz BICZHGOMPUDQBE-FUNVUKJBSA-N 1 1 292.335 2.091 10 5 CEBEMO CCOCC[N@@H+](CC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000111122314 186355497 /nfs/dbraw/zinc/35/54/97/186355497.db2.gz UCBLUEPQHQRHRK-UHFFFAOYSA-N 1 1 267.329 2.035 10 5 CEBEMO COc1cc(N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000176996992 368257832 /nfs/dbraw/zinc/25/78/32/368257832.db2.gz YLTBLZAVSHPRGP-SNVBAGLBSA-N 1 1 295.314 2.027 10 5 CEBEMO CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH2+]C1 ZINC000261896614 371765159 /nfs/dbraw/zinc/76/51/59/371765159.db2.gz YCWRKLNLPGKPMI-CQSZACIVSA-N 1 1 277.368 2.069 10 5 CEBEMO O=[N+]([O-])c1ccc(CN2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000267052678 190300069 /nfs/dbraw/zinc/30/00/69/190300069.db2.gz REEPUBAGZHVTJM-ZDUSSCGKSA-N 1 1 279.315 2.014 10 5 CEBEMO Cn1cc[nH+]c1CCNc1nc2c(cccc2[N+](=O)[O-])o1 ZINC000094355853 184787895 /nfs/dbraw/zinc/78/78/95/184787895.db2.gz YSJDIAVQILFJCI-UHFFFAOYSA-N 1 1 287.279 2.124 10 5 CEBEMO Cc1cc(N[C@H](C)C[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000122229484 394810491 /nfs/dbraw/zinc/81/04/91/394810491.db2.gz UHMRRJBYCSYFSB-SECBINFHSA-N 1 1 260.297 2.211 10 5 CEBEMO CN(C[C@@H]1CC[N@@H+](C)C1)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000071192655 176074966 /nfs/dbraw/zinc/07/49/66/176074966.db2.gz ZYMIISNUKDCXAU-SECBINFHSA-N 1 1 284.747 2.031 10 5 CEBEMO Cc1c(C[N@H+]2C[C@@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000401691957 533846426 /nfs/dbraw/zinc/84/64/26/533846426.db2.gz GVNAZNOUZQVQHG-GWCFXTLKSA-N 1 1 264.325 2.106 10 5 CEBEMO CC[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)[C@H](C)COC ZINC000050814947 521322264 /nfs/dbraw/zinc/32/22/64/521322264.db2.gz MNCQLADETBRMDD-SNVBAGLBSA-N 1 1 267.329 2.034 10 5 CEBEMO O=Cc1ccc([N+](=O)[O-])c(OCC[NH+]2CCCCC2)c1 ZINC000050517538 527150535 /nfs/dbraw/zinc/15/05/35/527150535.db2.gz LGVBJXZNMMZCGH-UHFFFAOYSA-N 1 1 278.308 2.272 10 5 CEBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCCC[C@@H]1CCO ZINC000062727284 527397977 /nfs/dbraw/zinc/39/79/77/527397977.db2.gz KFIZMQDQXTUMRE-CQSZACIVSA-N 1 1 278.352 2.374 10 5 CEBEMO C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000171606514 639724337 /nfs/dbraw/zinc/72/43/37/639724337.db2.gz JFYGFZXVGOVDNQ-JTQLQIEISA-N 1 1 292.364 2.339 10 5 CEBEMO C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000171606514 639724343 /nfs/dbraw/zinc/72/43/43/639724343.db2.gz JFYGFZXVGOVDNQ-JTQLQIEISA-N 1 1 292.364 2.339 10 5 CEBEMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2NC)C[C@@H]1C ZINC000110742709 186318637 /nfs/dbraw/zinc/31/86/37/186318637.db2.gz BAKAZIKSNGCHNM-LBPRGKRZSA-N 1 1 292.383 2.163 10 5 CEBEMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171686991 367592644 /nfs/dbraw/zinc/59/26/44/367592644.db2.gz ODSYGTYHFTXENE-NSHDSACASA-N 1 1 282.365 2.411 10 5 CEBEMO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCCC[C@@H]3C2)cs1 ZINC000172800849 367821911 /nfs/dbraw/zinc/82/19/11/367821911.db2.gz PYRIZBDFDIAUME-GFCCVEGCSA-N 1 1 281.381 2.326 10 5 CEBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[N@H+](C)CCO1 ZINC000276517956 193365587 /nfs/dbraw/zinc/36/55/87/193365587.db2.gz UNODDDHHWONMHN-NSHDSACASA-N 1 1 299.758 2.299 10 5 CEBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[N@@H+](C)CCO1 ZINC000276517956 193365589 /nfs/dbraw/zinc/36/55/89/193365589.db2.gz UNODDDHHWONMHN-NSHDSACASA-N 1 1 299.758 2.299 10 5 CEBEMO Cc1c(CN[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000231883684 370497578 /nfs/dbraw/zinc/49/75/78/370497578.db2.gz WARRFQRQWLHANX-ZDUSSCGKSA-N 1 1 263.341 2.135 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000246988475 371042633 /nfs/dbraw/zinc/04/26/33/371042633.db2.gz FEAWEJRRZCYVDL-PWSUYJOCSA-N 1 1 281.381 2.325 10 5 CEBEMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000249214989 371306726 /nfs/dbraw/zinc/30/67/26/371306726.db2.gz DSFMFPLZUNBNEI-DTWKUNHWSA-N 1 1 270.358 2.192 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000301249150 379233363 /nfs/dbraw/zinc/23/33/63/379233363.db2.gz AIYGVOZUTGLETC-ZJUUUORDSA-N 1 1 296.758 2.316 10 5 CEBEMO C[NH2+][C@@H](C)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000261865224 153862805 /nfs/dbraw/zinc/86/28/05/153862805.db2.gz YFJPYBLTNZNTHA-JTQLQIEISA-N 1 1 274.324 2.471 10 5 CEBEMO CC[N@@H+]1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000040502460 174298618 /nfs/dbraw/zinc/29/86/18/174298618.db2.gz HDQHFORTHCGYSY-CYBMUJFWSA-N 1 1 263.341 2.169 10 5 CEBEMO CC[N@H+]1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000040502460 174298619 /nfs/dbraw/zinc/29/86/19/174298619.db2.gz HDQHFORTHCGYSY-CYBMUJFWSA-N 1 1 263.341 2.169 10 5 CEBEMO C[N@H+]1CCC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040673492 174372166 /nfs/dbraw/zinc/37/21/66/174372166.db2.gz HPMACRGKYFOUFE-SECBINFHSA-N 1 1 253.277 2.240 10 5 CEBEMO C[N@@H+](CCNc1cc([N+](=O)[O-])ccn1)C1CCCC1 ZINC000071377537 176142739 /nfs/dbraw/zinc/14/27/39/176142739.db2.gz QGVQFOVRURUKDU-UHFFFAOYSA-N 1 1 264.329 2.276 10 5 CEBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000248891399 275036698 /nfs/dbraw/zinc/03/66/98/275036698.db2.gz BSMJJYKJFZGDOH-NSHDSACASA-N 1 1 265.288 2.018 10 5 CEBEMO CC[NH+](CC)C[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000062726549 520735745 /nfs/dbraw/zinc/73/57/45/520735745.db2.gz RQSKBWYPZGFMIE-ZDUSSCGKSA-N 1 1 279.384 2.457 10 5 CEBEMO CC(C)[N@@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000052926258 519690339 /nfs/dbraw/zinc/69/03/39/519690339.db2.gz YZUIXQVCRWREEV-ZDUSSCGKSA-N 1 1 263.341 2.167 10 5 CEBEMO CC(C)[N@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000052926258 519690341 /nfs/dbraw/zinc/69/03/41/519690341.db2.gz YZUIXQVCRWREEV-ZDUSSCGKSA-N 1 1 263.341 2.167 10 5 CEBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)COC ZINC000050815226 520329429 /nfs/dbraw/zinc/32/94/29/520329429.db2.gz BASLOBPODRBZDE-LLVKDONJSA-N 1 1 281.356 2.493 10 5 CEBEMO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000068650860 521157495 /nfs/dbraw/zinc/15/74/95/521157495.db2.gz YXNCOJNGNLAEDH-HZMBPMFUSA-N 1 1 296.323 2.033 10 5 CEBEMO CNc1ccc(C[N@@H+](CCOC)C2CC2)cc1[N+](=O)[O-] ZINC000050816151 522606819 /nfs/dbraw/zinc/60/68/19/522606819.db2.gz SGECIFBQDOHCTL-UHFFFAOYSA-N 1 1 279.340 2.247 10 5 CEBEMO C[N@H+](Cc1ccco1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813503 523436630 /nfs/dbraw/zinc/43/66/30/523436630.db2.gz KJRORVXUXAWBOQ-UHFFFAOYSA-N 1 1 261.281 2.402 10 5 CEBEMO C[N@@H+](Cc1ccco1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813503 523436643 /nfs/dbraw/zinc/43/66/43/523436643.db2.gz KJRORVXUXAWBOQ-UHFFFAOYSA-N 1 1 261.281 2.402 10 5 CEBEMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602929966 347249427 /nfs/dbraw/zinc/24/94/27/347249427.db2.gz BKRBDMVARIAHNS-BXKDBHETSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602929966 347249432 /nfs/dbraw/zinc/24/94/32/347249432.db2.gz BKRBDMVARIAHNS-BXKDBHETSA-N 1 1 268.288 2.079 10 5 CEBEMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000091489712 180168932 /nfs/dbraw/zinc/16/89/32/180168932.db2.gz YLASUDZFGIEBND-UHFFFAOYSA-N 1 1 284.743 2.451 10 5 CEBEMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000091489712 180168933 /nfs/dbraw/zinc/16/89/33/180168933.db2.gz YLASUDZFGIEBND-UHFFFAOYSA-N 1 1 284.743 2.451 10 5 CEBEMO [NH3+][C@@H]1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)C1=O ZINC000019795686 361554490 /nfs/dbraw/zinc/55/44/90/361554490.db2.gz WYHSBUAUQZQKQI-CQSZACIVSA-N 1 1 283.287 2.141 10 5 CEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302062085 201326143 /nfs/dbraw/zinc/32/61/43/201326143.db2.gz SHYUGMAEWIZVFE-BXUZGUMPSA-N 1 1 293.367 2.228 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000113270817 364882607 /nfs/dbraw/zinc/88/26/07/364882607.db2.gz FEAWEJRRZCYVDL-ZYHUDNBSSA-N 1 1 281.381 2.325 10 5 CEBEMO C[N@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCCC1 ZINC000037333178 173134801 /nfs/dbraw/zinc/13/48/01/173134801.db2.gz CHKLTDGTMNLIAG-UHFFFAOYSA-N 1 1 265.313 2.370 10 5 CEBEMO C[N@@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCCC1 ZINC000037333178 173134802 /nfs/dbraw/zinc/13/48/02/173134802.db2.gz CHKLTDGTMNLIAG-UHFFFAOYSA-N 1 1 265.313 2.370 10 5 CEBEMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000040503169 174300023 /nfs/dbraw/zinc/30/00/23/174300023.db2.gz MKYKQCQFPXIIAM-VIFPVBQESA-N 1 1 291.311 2.027 10 5 CEBEMO CC[N@@H+](C)[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000302828844 276077534 /nfs/dbraw/zinc/07/75/34/276077534.db2.gz OQPHDGGMOZMFTI-SECBINFHSA-N 1 1 255.343 2.187 10 5 CEBEMO CCOC(=O)[C@](C)([NH3+])C[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000068650927 521329749 /nfs/dbraw/zinc/32/97/49/521329749.db2.gz CJJFIXYSFVOEBM-IINYFYTJSA-N 1 1 296.323 2.033 10 5 CEBEMO CNc1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000050817265 522606980 /nfs/dbraw/zinc/60/69/80/522606980.db2.gz FMVLCHFVJWLVRY-UHFFFAOYSA-N 1 1 289.339 2.002 10 5 CEBEMO CNc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000050817265 522606985 /nfs/dbraw/zinc/60/69/85/522606985.db2.gz FMVLCHFVJWLVRY-UHFFFAOYSA-N 1 1 289.339 2.002 10 5 CEBEMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)[C@@H](C)C1CC1 ZINC000050816712 523740754 /nfs/dbraw/zinc/74/07/54/523740754.db2.gz BONFKDDYHRGHIK-NSHDSACASA-N 1 1 293.367 2.424 10 5 CEBEMO CC[C@H](C)C[N@@H+](C)Cc1ccc(NN)c([N+](=O)[O-])c1 ZINC000051147467 523869453 /nfs/dbraw/zinc/86/94/53/523869453.db2.gz WVQDPVVCKOYLMK-JTQLQIEISA-N 1 1 266.345 2.358 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110743198 186318765 /nfs/dbraw/zinc/31/87/65/186318765.db2.gz QEDZHXMXIBKCJT-UHFFFAOYSA-N 1 1 292.383 2.163 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000113267975 364880315 /nfs/dbraw/zinc/88/03/15/364880315.db2.gz XNPXCBYRRLGDLT-CZUORRHYSA-N 1 1 289.379 2.306 10 5 CEBEMO [NH3+]CC(F)(F)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000162676601 367177811 /nfs/dbraw/zinc/17/78/11/367177811.db2.gz AODWQXWMAOCQOM-UHFFFAOYSA-N 1 1 282.250 2.149 10 5 CEBEMO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+](C2CC2)CC1 ZINC000302794107 285119069 /nfs/dbraw/zinc/11/90/69/285119069.db2.gz ICDGOJYKCDRTNV-UHFFFAOYSA-N 1 1 265.288 2.018 10 5 CEBEMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000302793446 394478169 /nfs/dbraw/zinc/47/81/69/394478169.db2.gz ZTXKSHZYOQFKBL-LLVKDONJSA-N 1 1 267.304 2.264 10 5 CEBEMO CC(C)C[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037335657 173136326 /nfs/dbraw/zinc/13/63/26/173136326.db2.gz LCIBVJSSTUBKOI-UHFFFAOYSA-N 1 1 250.298 2.365 10 5 CEBEMO CC(C)C[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037335657 173136328 /nfs/dbraw/zinc/13/63/28/173136328.db2.gz LCIBVJSSTUBKOI-UHFFFAOYSA-N 1 1 250.298 2.365 10 5 CEBEMO C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000400317715 533974392 /nfs/dbraw/zinc/97/43/92/533974392.db2.gz AAMRIUHSVDGARN-GVXVVHGQSA-N 1 1 263.341 2.243 10 5 CEBEMO C[C@@H](CCN(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726477 524474691 /nfs/dbraw/zinc/47/46/91/524474691.db2.gz MFITVSGFAHFNJE-LBPRGKRZSA-N 1 1 265.357 2.067 10 5 CEBEMO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261988976 629413402 /nfs/dbraw/zinc/41/34/02/629413402.db2.gz BEGVRXPRVQIKJT-TXEJJXNPSA-N 1 1 298.346 2.107 10 5 CEBEMO CC[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000134430929 344374337 /nfs/dbraw/zinc/37/43/37/344374337.db2.gz LOUDKDHZZGQSOS-LLVKDONJSA-N 1 1 299.758 2.381 10 5 CEBEMO CC[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000134430929 344374339 /nfs/dbraw/zinc/37/43/39/344374339.db2.gz LOUDKDHZZGQSOS-LLVKDONJSA-N 1 1 299.758 2.381 10 5 CEBEMO CC[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC000135565874 344381889 /nfs/dbraw/zinc/38/18/89/344381889.db2.gz NTPQCCUKYFKNDO-ZDUSSCGKSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC000135565874 344381891 /nfs/dbraw/zinc/38/18/91/344381891.db2.gz NTPQCCUKYFKNDO-ZDUSSCGKSA-N 1 1 279.340 2.036 10 5 CEBEMO Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000295115332 199353069 /nfs/dbraw/zinc/35/30/69/199353069.db2.gz WPPLPADNLKYYJJ-SMDDNHRTSA-N 1 1 264.325 2.248 10 5 CEBEMO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CC[N@@H+](C)C1 ZINC000336843316 365916348 /nfs/dbraw/zinc/91/63/48/365916348.db2.gz WKPXCERZNYAXNQ-NSHDSACASA-N 1 1 281.331 2.117 10 5 CEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(C[NH3+])n1 ZINC000090930570 180063485 /nfs/dbraw/zinc/06/34/85/180063485.db2.gz UUAVNJSXXZRNGD-UHFFFAOYSA-N 1 1 292.320 2.071 10 5 CEBEMO CCCc1nn(C)c(N[C@@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000091582516 180199207 /nfs/dbraw/zinc/19/92/07/180199207.db2.gz XJCLZOXYNYVOKZ-LLVKDONJSA-N 1 1 295.387 2.177 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DZFGEQGIORQNLZ-CABZTGNLSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595545210 345808467 /nfs/dbraw/zinc/80/84/67/345808467.db2.gz DZFGEQGIORQNLZ-CABZTGNLSA-N 1 1 268.288 2.079 10 5 CEBEMO CC(C)c1nn(C)c(NC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000091582887 180199122 /nfs/dbraw/zinc/19/91/22/180199122.db2.gz WOXPDMRLUCBVDB-NSHDSACASA-N 1 1 295.387 2.348 10 5 CEBEMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@@H]1CCCOC1 ZINC000111170646 186365143 /nfs/dbraw/zinc/36/51/43/186365143.db2.gz FNHZZCZLHPMBHM-NSHDSACASA-N 1 1 279.340 2.035 10 5 CEBEMO CC[N@H+]1CCC[C@@H]1CN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC000178244204 189100478 /nfs/dbraw/zinc/10/04/78/189100478.db2.gz TUXUBZKDGSLCDG-GFCCVEGCSA-N 1 1 278.356 2.219 10 5 CEBEMO O=[N+]([O-])c1ccccc1/C=C/CN1CC[N@H+]2CCC[C@H]2C1 ZINC000245803169 370875635 /nfs/dbraw/zinc/87/56/35/370875635.db2.gz YCRIXHZECSDDEM-VFQAQYNWSA-N 1 1 287.363 2.388 10 5 CEBEMO O=[N+]([O-])c1ccccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000048558851 285164163 /nfs/dbraw/zinc/16/41/63/285164163.db2.gz MQIHHJMMZCPQCW-GFCCVEGCSA-N 1 1 261.325 2.269 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1 ZINC000301989616 394470373 /nfs/dbraw/zinc/47/03/73/394470373.db2.gz ONKWGNYXSOYHQO-FZMZJTMJSA-N 1 1 261.325 2.268 10 5 CEBEMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399209281 395244006 /nfs/dbraw/zinc/24/40/06/395244006.db2.gz FIXRFCSYPQTWCH-CABZTGNLSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399209281 395244010 /nfs/dbraw/zinc/24/40/10/395244010.db2.gz FIXRFCSYPQTWCH-CABZTGNLSA-N 1 1 268.288 2.079 10 5 CEBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000176247153 165159543 /nfs/dbraw/zinc/15/95/43/165159543.db2.gz QVJVCEOOJXJUCG-LLVKDONJSA-N 1 1 276.296 2.221 10 5 CEBEMO CCC[C@@H](C)[N@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037339245 173139830 /nfs/dbraw/zinc/13/98/30/173139830.db2.gz VEERGNKXUJCQBL-SECBINFHSA-N 1 1 253.302 2.226 10 5 CEBEMO CCC[C@@H](C)[N@@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037339245 173139832 /nfs/dbraw/zinc/13/98/32/173139832.db2.gz VEERGNKXUJCQBL-SECBINFHSA-N 1 1 253.302 2.226 10 5 CEBEMO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189380 176064311 /nfs/dbraw/zinc/06/43/11/176064311.db2.gz GDXDWTRPYLUOPG-GFCCVEGCSA-N 1 1 291.351 2.185 10 5 CEBEMO O=[N+]([O-])c1c(F)cccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000246074641 275032703 /nfs/dbraw/zinc/03/27/03/275032703.db2.gz JIOSTZBVXVIIOX-JTQLQIEISA-N 1 1 265.288 2.018 10 5 CEBEMO CCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1NCC ZINC000050815798 521667060 /nfs/dbraw/zinc/66/70/60/521667060.db2.gz HOAQBGBMBCNLQB-UHFFFAOYSA-N 1 1 281.356 2.231 10 5 CEBEMO CC(C)[C@@H](C[NH+](C)C)NCc1ccccc1[N+](=O)[O-] ZINC000049196984 519793705 /nfs/dbraw/zinc/79/37/05/519793705.db2.gz FKIRTZZHBRCIBF-CYBMUJFWSA-N 1 1 265.357 2.271 10 5 CEBEMO CC(C)c1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1NN ZINC000051147746 519880136 /nfs/dbraw/zinc/88/01/36/519880136.db2.gz RBQIJHBQAHGZKS-UHFFFAOYSA-N 1 1 275.312 2.249 10 5 CEBEMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1NC)[C@@H](C)COC ZINC000050814980 521295014 /nfs/dbraw/zinc/29/50/14/521295014.db2.gz CRTAWLUKCGUION-NSHDSACASA-N 1 1 281.356 2.493 10 5 CEBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049205591 525461098 /nfs/dbraw/zinc/46/10/98/525461098.db2.gz IXLBCTPAVZZBRU-AWEZNQCLSA-N 1 1 295.383 2.279 10 5 CEBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052762461 527347657 /nfs/dbraw/zinc/34/76/57/527347657.db2.gz PSOHAIUKPDCNHY-CQSZACIVSA-N 1 1 278.352 2.374 10 5 CEBEMO CC[N@@H+]1CCO[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000166102088 639447262 /nfs/dbraw/zinc/44/72/62/639447262.db2.gz JHTKWXIHUUQTGX-NSHDSACASA-N 1 1 299.758 2.381 10 5 CEBEMO CC[N@H+]1CCO[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000166102088 639447265 /nfs/dbraw/zinc/44/72/65/639447265.db2.gz JHTKWXIHUUQTGX-NSHDSACASA-N 1 1 299.758 2.381 10 5 CEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000176975585 189017802 /nfs/dbraw/zinc/01/78/02/189017802.db2.gz SGEIVFCOTKNWSP-LLVKDONJSA-N 1 1 297.380 2.213 10 5 CEBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177101318 189028962 /nfs/dbraw/zinc/02/89/62/189028962.db2.gz SSYYWLDVXNXAPH-HNNXBMFYSA-N 1 1 286.335 2.456 10 5 CEBEMO Cc1c(C[N@@H+]2CCC[C@H](O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000296444409 378534448 /nfs/dbraw/zinc/53/44/48/378534448.db2.gz WRGDQISWEOTJTF-RISCZKNCSA-N 1 1 264.325 2.248 10 5 CEBEMO CC[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(NN)c1 ZINC000094778568 184861549 /nfs/dbraw/zinc/86/15/49/184861549.db2.gz PPXSZKKQJBOOGL-SNVBAGLBSA-N 1 1 266.345 2.358 10 5 CEBEMO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000401915771 533677621 /nfs/dbraw/zinc/67/76/21/533677621.db2.gz SPVPXHUQXDAHJC-BXKDBHETSA-N 1 1 284.743 2.451 10 5 CEBEMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000401915771 533677625 /nfs/dbraw/zinc/67/76/25/533677625.db2.gz SPVPXHUQXDAHJC-BXKDBHETSA-N 1 1 284.743 2.451 10 5 CEBEMO CC(C)[N@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])o2)C1 ZINC000040622970 174356070 /nfs/dbraw/zinc/35/60/70/174356070.db2.gz AABRPZQHUMINNO-NSHDSACASA-N 1 1 267.329 2.008 10 5 CEBEMO CCNc1ccc(C[N@@H+](CC)CCOC)cc1[N+](=O)[O-] ZINC000050816671 520299598 /nfs/dbraw/zinc/29/95/98/520299598.db2.gz SPXGLABJYSQIJW-UHFFFAOYSA-N 1 1 281.356 2.495 10 5 CEBEMO Cc1cc(N2CC[C@H](C[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122223283 648188212 /nfs/dbraw/zinc/18/82/12/648188212.db2.gz BEGBMJVDRIMUEB-LLVKDONJSA-N 1 1 286.335 2.236 10 5 CEBEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595514984 345801370 /nfs/dbraw/zinc/80/13/70/345801370.db2.gz UYHIQPBDNKRPRF-TVQRCGJNSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595514984 345801371 /nfs/dbraw/zinc/80/13/71/345801371.db2.gz UYHIQPBDNKRPRF-TVQRCGJNSA-N 1 1 268.288 2.079 10 5 CEBEMO CC(C)c1nn(C)c(NC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000091582890 180198779 /nfs/dbraw/zinc/19/87/79/180198779.db2.gz WOXPDMRLUCBVDB-LLVKDONJSA-N 1 1 295.387 2.348 10 5 CEBEMO Cc1ccc([N+](=O)[O-])cc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091672578 180224205 /nfs/dbraw/zinc/22/42/05/180224205.db2.gz KFUYIMYEZSQUIN-ZIAGYGMSSA-N 1 1 291.351 2.178 10 5 CEBEMO CCCOc1cc(N[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000111048028 186348277 /nfs/dbraw/zinc/34/82/77/186348277.db2.gz NQDPDPIBVLDAQL-GFCCVEGCSA-N 1 1 279.340 2.500 10 5 CEBEMO CC[NH2+]Cc1noc(-c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000111011134 186343528 /nfs/dbraw/zinc/34/35/28/186343528.db2.gz JUNJDWISUGTFJF-UHFFFAOYSA-N 1 1 282.687 2.408 10 5 CEBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111170635 186365768 /nfs/dbraw/zinc/36/57/68/186365768.db2.gz PYRZQXVRJWGAAL-LBPRGKRZSA-N 1 1 293.367 2.495 10 5 CEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171639944 367584259 /nfs/dbraw/zinc/58/42/59/367584259.db2.gz VPLUSRXAEOYLBO-IUODEOHRSA-N 1 1 275.352 2.436 10 5 CEBEMO O=[N+]([O-])c1cccc(F)c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172804260 367821414 /nfs/dbraw/zinc/82/14/14/367821414.db2.gz GWBPDEGVHWUCLH-GFCCVEGCSA-N 1 1 293.342 2.404 10 5 CEBEMO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000247027214 371050260 /nfs/dbraw/zinc/05/02/60/371050260.db2.gz NILAAJKOXLDAIE-PWSUYJOCSA-N 1 1 278.356 2.439 10 5 CEBEMO CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000389765167 375307351 /nfs/dbraw/zinc/30/73/51/375307351.db2.gz ZSPFAVOQVALZKO-VIFPVBQESA-N 1 1 297.742 2.072 10 5 CEBEMO C[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000040673567 174371931 /nfs/dbraw/zinc/37/19/31/174371931.db2.gz JNNLKZFGBANBTD-VIFPVBQESA-N 1 1 253.277 2.240 10 5 CEBEMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1N)C1CCCC1 ZINC000071377068 176142033 /nfs/dbraw/zinc/14/20/33/176142033.db2.gz PGZPEEPFKKDYSV-UHFFFAOYSA-N 1 1 278.356 2.463 10 5 CEBEMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000302792032 276078689 /nfs/dbraw/zinc/07/86/89/276078689.db2.gz YVAXNBSWLKEVSZ-NSHDSACASA-N 1 1 294.311 2.033 10 5 CEBEMO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000261636321 280567520 /nfs/dbraw/zinc/56/75/20/280567520.db2.gz IFZQGEHNGYMECH-ZWNOBZJWSA-N 1 1 286.335 2.377 10 5 CEBEMO CCC(C)(C)[N@@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000069441666 521301527 /nfs/dbraw/zinc/30/15/27/521301527.db2.gz KGWSUPOZAPTSOJ-UHFFFAOYSA-N 1 1 253.302 2.226 10 5 CEBEMO O=[N+]([O-])c1cc(C[NH2+]CCN2CCCCC2)c(F)cc1F ZINC000049575009 527330219 /nfs/dbraw/zinc/33/02/19/527330219.db2.gz FIVCIKBALAGGQC-UHFFFAOYSA-N 1 1 299.321 2.449 10 5 CEBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCC[C@H]1CCCO ZINC000062727304 527398062 /nfs/dbraw/zinc/39/80/62/527398062.db2.gz PINRZDGFZOYPJF-AWEZNQCLSA-N 1 1 278.352 2.374 10 5 CEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261721566 629156070 /nfs/dbraw/zinc/15/60/70/629156070.db2.gz KGYSPLUUZYMPAM-BQPHKTIFSA-N 1 1 275.352 2.325 10 5 CEBEMO Cc1cc(N2CCC([NH3+])CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122219744 648186328 /nfs/dbraw/zinc/18/63/28/648186328.db2.gz PKVMTXYVFXGCLT-UHFFFAOYSA-N 1 1 286.335 2.379 10 5 CEBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COC(C)(C)C ZINC000046054041 343491132 /nfs/dbraw/zinc/49/11/32/343491132.db2.gz MFMFHPQIYIXQIV-ZDUSSCGKSA-N 1 1 296.367 2.203 10 5 CEBEMO C[N@H+]1CCC[C@H](NCc2ccccc2[N+](=O)[O-])CC1 ZINC000086819005 179348364 /nfs/dbraw/zinc/34/83/64/179348364.db2.gz HCEOJWBLFMLCKX-ZDUSSCGKSA-N 1 1 263.341 2.169 10 5 CEBEMO CC[NH2+]Cc1noc(-c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000088147880 179557413 /nfs/dbraw/zinc/55/74/13/179557413.db2.gz PMOABJFYJKHGOH-UHFFFAOYSA-N 1 1 262.269 2.063 10 5 CEBEMO C[C@@H](CNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000092022487 180308095 /nfs/dbraw/zinc/30/80/95/180308095.db2.gz SCEUADPBISUBHQ-LBPRGKRZSA-N 1 1 263.341 2.169 10 5 CEBEMO C[C@@H]1C[NH+](CC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000092086299 180320427 /nfs/dbraw/zinc/32/04/27/180320427.db2.gz MMJWSQACVOJFEL-GHMZBOCLSA-N 1 1 262.309 2.365 10 5 CEBEMO O=[N+]([O-])c1ccccc1/C=C/CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179546231 189201076 /nfs/dbraw/zinc/20/10/76/189201076.db2.gz YCRIXHZECSDDEM-YFCVBGDOSA-N 1 1 287.363 2.388 10 5 CEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000113269009 364882351 /nfs/dbraw/zinc/88/23/51/364882351.db2.gz SSDJMYVFFZYBQN-GXTWGEPZSA-N 1 1 275.352 2.263 10 5 CEBEMO C[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000040673568 174371814 /nfs/dbraw/zinc/37/18/14/174371814.db2.gz JNNLKZFGBANBTD-SECBINFHSA-N 1 1 253.277 2.240 10 5 CEBEMO COc1ccc(N[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000040673517 174372425 /nfs/dbraw/zinc/37/24/25/174372425.db2.gz ZJAVDSRHLIXCLQ-JTQLQIEISA-N 1 1 265.313 2.110 10 5 CEBEMO C[C@H](O)c1ccc(N(C)C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000071189657 176065418 /nfs/dbraw/zinc/06/54/18/176065418.db2.gz QCWSZYQKULXMKX-NWDGAFQWSA-N 1 1 293.367 2.036 10 5 CEBEMO Cc1c(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000568499526 313960950 /nfs/dbraw/zinc/96/09/50/313960950.db2.gz KVCUXFVJZPZANF-GXTWGEPZSA-N 1 1 277.368 2.381 10 5 CEBEMO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](C)O ZINC000051840200 520170962 /nfs/dbraw/zinc/17/09/62/520170962.db2.gz KLIUKWYYWYKWCN-LLVKDONJSA-N 1 1 281.356 2.229 10 5 CEBEMO CCNc1ccc(C[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000061933852 520301764 /nfs/dbraw/zinc/30/17/64/520301764.db2.gz MMFAWLQJYGNQME-UHFFFAOYSA-N 1 1 279.340 2.249 10 5 CEBEMO CCNc1ccc(C[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000061933852 520301777 /nfs/dbraw/zinc/30/17/77/520301777.db2.gz MMFAWLQJYGNQME-UHFFFAOYSA-N 1 1 279.340 2.249 10 5 CEBEMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)[C@@H](C)COC ZINC000050814948 521292596 /nfs/dbraw/zinc/29/25/96/521292596.db2.gz KPPWESZCUSZGQH-JTQLQIEISA-N 1 1 267.329 2.034 10 5 CEBEMO CCC(CC)[N@@H+](CCO)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816946 521553226 /nfs/dbraw/zinc/55/32/26/521553226.db2.gz PEVCUSJQOCSHEO-UHFFFAOYSA-N 1 1 281.356 2.160 10 5 CEBEMO CC[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000052812381 521711634 /nfs/dbraw/zinc/71/16/34/521711634.db2.gz DWKPMNLCGMLIMX-NSHDSACASA-N 1 1 264.329 2.052 10 5 CEBEMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)[C@H](C)C1CC1 ZINC000050816713 523739101 /nfs/dbraw/zinc/73/91/01/523739101.db2.gz BONFKDDYHRGHIK-LLVKDONJSA-N 1 1 293.367 2.424 10 5 CEBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762737 527356438 /nfs/dbraw/zinc/35/64/38/527356438.db2.gz MTQNVXNOSOZSKV-CYBMUJFWSA-N 1 1 282.315 2.471 10 5 CEBEMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762347 527387149 /nfs/dbraw/zinc/38/71/49/527387149.db2.gz PLZDKKPLBULXLO-CYBMUJFWSA-N 1 1 264.325 2.332 10 5 CEBEMO CC(C)[N@@H+]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000033506598 361782810 /nfs/dbraw/zinc/78/28/10/361782810.db2.gz IKRIJCFBDQXYMM-CYBMUJFWSA-N 1 1 250.298 2.377 10 5 CEBEMO CC(C)[N@H+]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000033506598 361782814 /nfs/dbraw/zinc/78/28/14/361782814.db2.gz IKRIJCFBDQXYMM-CYBMUJFWSA-N 1 1 250.298 2.377 10 5 CEBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CCO)C2)c(Cl)c1 ZINC000130327087 365944440 /nfs/dbraw/zinc/94/44/40/365944440.db2.gz PJUNDAVNYNJINX-SNVBAGLBSA-N 1 1 284.743 2.453 10 5 CEBEMO C[N@H+]1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])CC1 ZINC000086819006 179348708 /nfs/dbraw/zinc/34/87/08/179348708.db2.gz HCEOJWBLFMLCKX-CYBMUJFWSA-N 1 1 263.341 2.169 10 5 CEBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)c1csc(C[NH3+])n1 ZINC000090930576 180064213 /nfs/dbraw/zinc/06/42/13/180064213.db2.gz XOOUEZDNHSLQJX-UHFFFAOYSA-N 1 1 292.320 2.071 10 5 CEBEMO CC(C)c1nn(C)c(N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000091583959 180199535 /nfs/dbraw/zinc/19/95/35/180199535.db2.gz IDPXAFOAINAVNP-SNVBAGLBSA-N 1 1 293.371 2.100 10 5 CEBEMO Cc1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000091673503 180224706 /nfs/dbraw/zinc/22/47/06/180224706.db2.gz OMBYAZMQAFFAFH-KGLIPLIRSA-N 1 1 291.351 2.178 10 5 CEBEMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107039870 186156991 /nfs/dbraw/zinc/15/69/91/186156991.db2.gz MKMLREVKZMHGBP-GFCCVEGCSA-N 1 1 279.340 2.500 10 5 CEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000177017080 189021263 /nfs/dbraw/zinc/02/12/63/189021263.db2.gz JUHYKBAWSGKVDQ-SNVBAGLBSA-N 1 1 297.380 2.213 10 5 CEBEMO Cc1nn(C)c(NC[C@@H]2CCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000301844704 201230203 /nfs/dbraw/zinc/23/02/03/201230203.db2.gz LUJNQHJZIPUHHR-LBPRGKRZSA-N 1 1 295.387 2.169 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000113269631 364882475 /nfs/dbraw/zinc/88/24/75/364882475.db2.gz VPHUQNHDAXZLLV-VXGBXAGGSA-N 1 1 293.342 2.402 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000247531432 371120966 /nfs/dbraw/zinc/12/09/66/371120966.db2.gz XNPXCBYRRLGDLT-CJNGLKHVSA-N 1 1 289.379 2.306 10 5 CEBEMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171939455 285079868 /nfs/dbraw/zinc/07/98/68/285079868.db2.gz GZUAIVVXSXBUQX-GFCCVEGCSA-N 1 1 298.346 2.427 10 5 CEBEMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(NN)c1)CC(C)(C)C ZINC000094778469 184861821 /nfs/dbraw/zinc/86/18/21/184861821.db2.gz CGMGVMCMMKGVSE-UHFFFAOYSA-N 1 1 266.345 2.358 10 5 CEBEMO Cc1ccc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000421370272 394514479 /nfs/dbraw/zinc/51/44/79/394514479.db2.gz IDLPRKODZNUAAI-AAEUAGOBSA-N 1 1 264.325 2.248 10 5 CEBEMO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@H+]1CC ZINC000192643223 153213572 /nfs/dbraw/zinc/21/35/72/153213572.db2.gz CVFPERBLRGKQDS-LBPRGKRZSA-N 1 1 295.387 2.040 10 5 CEBEMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050818021 520319305 /nfs/dbraw/zinc/31/93/05/520319305.db2.gz BKVKULMKKVLMFX-GFCCVEGCSA-N 1 1 279.340 2.178 10 5 CEBEMO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000068651486 521326779 /nfs/dbraw/zinc/32/67/79/521326779.db2.gz YFKLOOMZKQWLDA-QMTHXVAHSA-N 1 1 296.323 2.033 10 5 CEBEMO Cc1ccc(N[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000061700977 525316269 /nfs/dbraw/zinc/31/62/69/525316269.db2.gz UPJIMMBAWCMCSO-GFCCVEGCSA-N 1 1 279.340 2.036 10 5 CEBEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000294952290 199268452 /nfs/dbraw/zinc/26/84/52/199268452.db2.gz HTIWDYWPYXAWLW-RNCFNFMXSA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000294952290 199268453 /nfs/dbraw/zinc/26/84/53/199268453.db2.gz HTIWDYWPYXAWLW-RNCFNFMXSA-N 1 1 268.288 2.079 10 5 CEBEMO C[N@H+]1CCC[C@@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120618 362466357 /nfs/dbraw/zinc/46/63/57/362466357.db2.gz KPSUONFVLVKCAB-JTQLQIEISA-N 1 1 267.304 2.488 10 5 CEBEMO CCCc1nn(C)c(NC[C@H]2CC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000091584111 180199735 /nfs/dbraw/zinc/19/97/35/180199735.db2.gz HWUIPTUUENXHRK-LLVKDONJSA-N 1 1 295.387 2.035 10 5 CEBEMO C[C@H](CNCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000092022485 180307984 /nfs/dbraw/zinc/30/79/84/180307984.db2.gz DPBNWACDNFOLIG-GFCCVEGCSA-N 1 1 263.341 2.169 10 5 CEBEMO Cc1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000193862528 395417961 /nfs/dbraw/zinc/41/79/61/395417961.db2.gz QTOXTVSDBPWXDM-CYBMUJFWSA-N 1 1 261.325 2.188 10 5 CEBEMO O=[N+]([O-])c1ccc(F)cc1C[NH2+]Cc1cccnc1 ZINC000035308176 172121442 /nfs/dbraw/zinc/12/14/42/172121442.db2.gz MIBRIHSXGIUFPI-UHFFFAOYSA-N 1 1 261.256 2.419 10 5 CEBEMO O=[N+]([O-])c1ccc(F)cc1C[NH2+]Cc1ccncc1 ZINC000035308178 172121692 /nfs/dbraw/zinc/12/16/92/172121692.db2.gz SLLVJNSLGUKTEU-UHFFFAOYSA-N 1 1 261.256 2.419 10 5 CEBEMO C[N@H+]1CCC[C@@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040673496 174372090 /nfs/dbraw/zinc/37/20/90/174372090.db2.gz IXXNPNILWDKIEJ-SNVBAGLBSA-N 1 1 253.277 2.240 10 5 CEBEMO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000040675962 174373579 /nfs/dbraw/zinc/37/35/79/174373579.db2.gz NMMFDFFFIODAEA-ZFWWWQNUSA-N 1 1 291.395 2.457 10 5 CEBEMO C[N@H+]1CCC[C@H](Nc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040716506 174383540 /nfs/dbraw/zinc/38/35/40/174383540.db2.gz ZKSWLNNNTLPBEZ-QMMMGPOBSA-N 1 1 270.720 2.149 10 5 CEBEMO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261594686 274713990 /nfs/dbraw/zinc/71/39/90/274713990.db2.gz BDJGBUDWWILKKB-TVQRCGJNSA-N 1 1 286.335 2.235 10 5 CEBEMO CC(C)[N@@H+](CCCO)CCc1ccccc1[N+](=O)[O-] ZINC000062727287 519644401 /nfs/dbraw/zinc/64/44/01/519644401.db2.gz WIGHAAAFKXQBKY-UHFFFAOYSA-N 1 1 266.341 2.230 10 5 CEBEMO CC(C)[N@H+]1CC[C@@H](CNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455893 519686854 /nfs/dbraw/zinc/68/68/54/519686854.db2.gz BHKFORMSANANKF-VIFPVBQESA-N 1 1 299.762 2.180 10 5 CEBEMO CCCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050815556 520523815 /nfs/dbraw/zinc/52/38/15/520523815.db2.gz YEDJUASWNXQWFW-UHFFFAOYSA-N 1 1 281.356 2.231 10 5 CEBEMO CCc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050830085 522587451 /nfs/dbraw/zinc/58/74/51/522587451.db2.gz ZZRWJQVLBXMATH-UHFFFAOYSA-N 1 1 260.297 2.444 10 5 CEBEMO CC[N@@H+]1CCO[C@@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000122886005 344308006 /nfs/dbraw/zinc/30/80/06/344308006.db2.gz BPZLTHCNCWCJDK-LBPRGKRZSA-N 1 1 279.340 2.036 10 5 CEBEMO CC[N@H+]1CCO[C@@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000122886005 344308008 /nfs/dbraw/zinc/30/80/08/344308008.db2.gz BPZLTHCNCWCJDK-LBPRGKRZSA-N 1 1 279.340 2.036 10 5 CEBEMO C[N@H+]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000086817796 179346031 /nfs/dbraw/zinc/34/60/31/179346031.db2.gz NOVARQLNAIKLSU-SNVBAGLBSA-N 1 1 293.323 2.220 10 5 CEBEMO CCCc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000091583647 180199809 /nfs/dbraw/zinc/19/98/09/180199809.db2.gz IGSGXCKWYLZHIW-NSHDSACASA-N 1 1 295.387 2.035 10 5 CEBEMO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000092022483 180307575 /nfs/dbraw/zinc/30/75/75/180307575.db2.gz DPBNWACDNFOLIG-LBPRGKRZSA-N 1 1 263.341 2.169 10 5 CEBEMO C[C@H]1C[N@H+](CC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000092086187 180320473 /nfs/dbraw/zinc/32/04/73/180320473.db2.gz AIEIGQMAJQSICK-PHIMTYICSA-N 1 1 262.309 2.365 10 5 CEBEMO C[C@H]1C[N@@H+](CC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000092086187 180320474 /nfs/dbraw/zinc/32/04/74/180320474.db2.gz AIEIGQMAJQSICK-PHIMTYICSA-N 1 1 262.309 2.365 10 5 CEBEMO Cc1c(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261796240 371735193 /nfs/dbraw/zinc/73/51/93/371735193.db2.gz QUXGMRXSHMPGRY-MJBXVCDLSA-N 1 1 275.352 2.072 10 5 CEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000249283696 394553045 /nfs/dbraw/zinc/55/30/45/394553045.db2.gz NLDZLCPSOAMJEO-ZJUUUORDSA-N 1 1 282.369 2.114 10 5 CEBEMO Cc1cccc(N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000249285308 394553436 /nfs/dbraw/zinc/55/34/36/394553436.db2.gz PEBZZERRTONWBQ-LBPRGKRZSA-N 1 1 261.325 2.188 10 5 CEBEMO CCC(CC)[N@@H+](C)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037339134 173140476 /nfs/dbraw/zinc/14/04/76/173140476.db2.gz WOYMOYBBEFVCGE-UHFFFAOYSA-N 1 1 253.302 2.226 10 5 CEBEMO CC(C)[C@@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044731975 175240933 /nfs/dbraw/zinc/24/09/33/175240933.db2.gz RDOGNEYKCTXQQF-SNVBAGLBSA-N 1 1 262.269 2.301 10 5 CEBEMO CC[N@@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000328388053 627881085 /nfs/dbraw/zinc/88/10/85/627881085.db2.gz XAXKCFUDJCPGFD-ZDUSSCGKSA-N 1 1 263.341 2.087 10 5 CEBEMO CC[N@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000328388053 627881092 /nfs/dbraw/zinc/88/10/92/627881092.db2.gz XAXKCFUDJCPGFD-ZDUSSCGKSA-N 1 1 263.341 2.087 10 5 CEBEMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000294952294 199267800 /nfs/dbraw/zinc/26/78/00/199267800.db2.gz HTIWDYWPYXAWLW-ZANVPECISA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000294952294 199267802 /nfs/dbraw/zinc/26/78/02/199267802.db2.gz HTIWDYWPYXAWLW-ZANVPECISA-N 1 1 268.288 2.079 10 5 CEBEMO CC[N@@H+]1CCO[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134480428 344374958 /nfs/dbraw/zinc/37/49/58/344374958.db2.gz KBGGDXZLCUCLOK-LLVKDONJSA-N 1 1 299.758 2.381 10 5 CEBEMO CC[N@H+]1CCO[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134480428 344374960 /nfs/dbraw/zinc/37/49/60/344374960.db2.gz KBGGDXZLCUCLOK-LLVKDONJSA-N 1 1 299.758 2.381 10 5 CEBEMO CC[N@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])c(C(C)C)nn1C ZINC000091576386 180197630 /nfs/dbraw/zinc/19/76/30/180197630.db2.gz DUXRFWKHWMROMD-NSHDSACASA-N 1 1 295.387 2.348 10 5 CEBEMO CC(=O)c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000024659545 394476927 /nfs/dbraw/zinc/47/69/27/394476927.db2.gz CXFNJAPAZYZEJG-CYBMUJFWSA-N 1 1 289.335 2.082 10 5 CEBEMO CC[N@H+]1CCC[C@H]1CNc1ccc(OC)cc1[N+](=O)[O-] ZINC000021049989 171294920 /nfs/dbraw/zinc/29/49/20/171294920.db2.gz VOQKBKJDWSZLSX-NSHDSACASA-N 1 1 279.340 2.500 10 5 CEBEMO Cc1cc(N(C)C[C@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000312228107 628194250 /nfs/dbraw/zinc/19/42/50/628194250.db2.gz CAOULUZASYMCQS-VIFPVBQESA-N 1 1 274.324 2.235 10 5 CEBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COC(C)(C)C ZINC000046054040 343491388 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C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000123018810 394821840 /nfs/dbraw/zinc/82/18/40/394821840.db2.gz AIYGVOZUTGLETC-VHSXEESVSA-N 1 1 296.758 2.316 10 5 CEBEMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000040503170 174300233 /nfs/dbraw/zinc/30/02/33/174300233.db2.gz MKYKQCQFPXIIAM-SECBINFHSA-N 1 1 291.311 2.027 10 5 CEBEMO COCC[C@@H]([NH3+])c1nc(C)c(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000052811209 521830819 /nfs/dbraw/zinc/83/08/19/521830819.db2.gz LORCGQANIUJIPI-GFCCVEGCSA-N 1 1 290.323 2.330 10 5 CEBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCCC[C@H]1CCO ZINC000062727285 527397018 /nfs/dbraw/zinc/39/70/18/527397018.db2.gz KFIZMQDQXTUMRE-AWEZNQCLSA-N 1 1 278.352 2.374 10 5 CEBEMO C[N@H+]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000086817795 179345871 /nfs/dbraw/zinc/34/58/71/179345871.db2.gz NOVARQLNAIKLSU-JTQLQIEISA-N 1 1 293.323 2.220 10 5 CEBEMO CCC[N@H+]1CCC[C@H](n2nc(C)c([N+](=O)[O-])c2N)CC1 ZINC000086846116 179355729 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O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000171615971 367578929 /nfs/dbraw/zinc/57/89/29/367578929.db2.gz WHFSIDPXSBYCDL-CQSZACIVSA-N 1 1 287.323 2.023 10 5 CEBEMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000171615971 367578934 /nfs/dbraw/zinc/57/89/34/367578934.db2.gz WHFSIDPXSBYCDL-CQSZACIVSA-N 1 1 287.323 2.023 10 5 CEBEMO Cc1c(CN2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000247381245 371101450 /nfs/dbraw/zinc/10/14/50/371101450.db2.gz VWDNBTCIQRGKFX-AWEZNQCLSA-N 1 1 275.352 2.183 10 5 CEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000249283693 371310719 /nfs/dbraw/zinc/31/07/19/371310719.db2.gz NLDZLCPSOAMJEO-UWVGGRQHSA-N 1 1 282.369 2.114 10 5 CEBEMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000296286231 395315399 /nfs/dbraw/zinc/31/53/99/395315399.db2.gz OYTKMDWIWGFKOR-ZANVPECISA-N 1 1 268.288 2.079 10 5 CEBEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000296286231 395315405 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[NH3+][C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000054502937 527339614 /nfs/dbraw/zinc/33/96/14/527339614.db2.gz MBXCGABZNGCNJJ-SNVBAGLBSA-N 1 1 260.253 2.055 10 5 CEBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052762462 527347113 /nfs/dbraw/zinc/34/71/13/527347113.db2.gz PSOHAIUKPDCNHY-AWEZNQCLSA-N 1 1 278.352 2.374 10 5 CEBEMO CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000111689703 628655105 /nfs/dbraw/zinc/65/51/05/628655105.db2.gz MDYLQGMQVSEADN-CYBMUJFWSA-N 1 1 262.309 2.396 10 5 CEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1 ZINC000091483339 344165425 /nfs/dbraw/zinc/16/54/25/344165425.db2.gz ONKWGNYXSOYHQO-BXUZGUMPSA-N 1 1 261.325 2.268 10 5 CEBEMO C[C@H](CNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000092022489 180308204 /nfs/dbraw/zinc/30/82/04/180308204.db2.gz SCEUADPBISUBHQ-GFCCVEGCSA-N 1 1 263.341 2.169 10 5 CEBEMO [NH3+]CC(F)(F)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000162674293 367178392 /nfs/dbraw/zinc/17/83/92/367178392.db2.gz ZKZJBANNAPGULC-UHFFFAOYSA-N 1 1 265.647 2.254 10 5 CEBEMO CC(C)[N@@H+]1C[C@H](Nc2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000192485226 369819199 /nfs/dbraw/zinc/81/91/99/369819199.db2.gz DSFMFPLZUNBNEI-IUCAKERBSA-N 1 1 270.358 2.192 10 5 CEBEMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000302793448 394478274 /nfs/dbraw/zinc/47/82/74/394478274.db2.gz ZTXKSHZYOQFKBL-NSHDSACASA-N 1 1 267.304 2.264 10 5 CEBEMO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@H+]1CC ZINC000192643242 153214128 /nfs/dbraw/zinc/21/41/28/153214128.db2.gz CVFPERBLRGKQDS-GFCCVEGCSA-N 1 1 295.387 2.040 10 5 CEBEMO CN(C[C@H]1CC[N@@H+](C)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000071192668 176074632 /nfs/dbraw/zinc/07/46/32/176074632.db2.gz VJXGPQVMRCOOOK-JTQLQIEISA-N 1 1 267.304 2.122 10 5 CEBEMO CCCNc1ccc(C[N@@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000050817514 520154734 /nfs/dbraw/zinc/15/47/34/520154734.db2.gz QVDSVWZPZARPND-UHFFFAOYSA-N 1 1 281.356 2.495 10 5 CEBEMO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000068651508 521156505 /nfs/dbraw/zinc/15/65/05/521156505.db2.gz YFKLOOMZKQWLDA-HZMBPMFUSA-N 1 1 296.323 2.033 10 5 CEBEMO CCN(CCc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000062727095 521165851 /nfs/dbraw/zinc/16/58/51/521165851.db2.gz XFJPMZWLGSURNB-UHFFFAOYSA-N 1 1 277.368 2.211 10 5 CEBEMO C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000050813272 523263772 /nfs/dbraw/zinc/26/37/72/523263772.db2.gz ZIGNTJKVHWTHOY-SNVBAGLBSA-N 1 1 267.354 2.114 10 5 CEBEMO C[C@@H](C[NH+]1CCCC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000049164121 524591863 /nfs/dbraw/zinc/59/18/63/524591863.db2.gz NZQVTUDAAWKWKL-ZDUSSCGKSA-N 1 1 293.367 2.048 10 5 CEBEMO C[C@@H]([NH2+]Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000054766494 525551658 /nfs/dbraw/zinc/55/16/58/525551658.db2.gz NPCGENRWDVJFAA-SNVBAGLBSA-N 1 1 258.281 2.236 10 5 CEBEMO COc1ccc(C[N@H+]2CCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000052762803 362473898 /nfs/dbraw/zinc/47/38/98/362473898.db2.gz MGUBGRHOGIPKNC-CYBMUJFWSA-N 1 1 294.351 2.340 10 5 CEBEMO Cc1c(NC(=O)c2csc(C[NH3+])n2)cccc1[N+](=O)[O-] ZINC000090930575 180064142 /nfs/dbraw/zinc/06/41/42/180064142.db2.gz UWXIRHMFCHMGNF-UHFFFAOYSA-N 1 1 292.320 2.071 10 5 CEBEMO CC(C)c1nn(C)c(N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000091583960 180199761 /nfs/dbraw/zinc/19/97/61/180199761.db2.gz IDPXAFOAINAVNP-JTQLQIEISA-N 1 1 293.371 2.100 10 5 CEBEMO CC[N@H+]1CC[C@H](CNc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092026785 180308447 /nfs/dbraw/zinc/30/84/47/180308447.db2.gz KACNIZORGCYSMA-LLVKDONJSA-N 1 1 264.329 2.052 10 5 CEBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000107925502 186198439 /nfs/dbraw/zinc/19/84/39/186198439.db2.gz ZOUOPYFJKZYZTO-ONXXMXGDSA-N 1 1 292.335 2.091 10 5 CEBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247378227 371100135 /nfs/dbraw/zinc/10/01/35/371100135.db2.gz VPLUSRXAEOYLBO-WFASDCNBSA-N 1 1 275.352 2.436 10 5 CEBEMO C[NH2+][C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000122234873 394810085 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Cc1ccc(NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000061700690 525273529 /nfs/dbraw/zinc/27/35/29/525273529.db2.gz KTROHCRJBQQWJM-UHFFFAOYSA-N 1 1 279.340 2.037 10 5 CEBEMO O=[N+]([O-])c1cc2cn[nH]c2cc1OCC[NH+]1CCCCC1 ZINC000584617943 344966490 /nfs/dbraw/zinc/96/64/90/344966490.db2.gz VJFBWAVCXKCUPQ-UHFFFAOYSA-N 1 1 290.323 2.336 10 5 CEBEMO CNc1ccc(C[N@@H+](C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000107065233 186158307 /nfs/dbraw/zinc/15/83/07/186158307.db2.gz AYINVKRPQIKSSJ-UHFFFAOYSA-N 1 1 293.367 2.495 10 5 CEBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261721571 153820230 /nfs/dbraw/zinc/82/02/30/153820230.db2.gz KGYSPLUUZYMPAM-UEEZHKSASA-N 1 1 275.352 2.325 10 5 CEBEMO O=[N+]([O-])c1cccc(F)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171638249 165049215 /nfs/dbraw/zinc/04/92/15/165049215.db2.gz USUQZXGVITWAAQ-LLVKDONJSA-N 1 1 279.315 2.014 10 5 CEBEMO CC(C)C[N@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000042558506 174794874 /nfs/dbraw/zinc/79/48/74/174794874.db2.gz CAXKQJHJUKYNRQ-UHFFFAOYSA-N 1 1 265.313 2.226 10 5 CEBEMO CC(C)C[N@@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000042558506 174794875 /nfs/dbraw/zinc/79/48/75/174794875.db2.gz CAXKQJHJUKYNRQ-UHFFFAOYSA-N 1 1 265.313 2.226 10 5 CEBEMO C[N@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)CC(C)(C)C ZINC000045084843 175303482 /nfs/dbraw/zinc/30/34/82/175303482.db2.gz PMLQPHUGYMFZJL-UHFFFAOYSA-N 1 1 253.302 2.084 10 5 CEBEMO C[N@@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)CC(C)(C)C ZINC000045084843 175303483 /nfs/dbraw/zinc/30/34/83/175303483.db2.gz PMLQPHUGYMFZJL-UHFFFAOYSA-N 1 1 253.302 2.084 10 5 CEBEMO CC(C)Oc1c([N+](=O)[O-])cccc1N1CC[NH+](C)CC1 ZINC000215977244 419461648 /nfs/dbraw/zinc/46/16/48/419461648.db2.gz TYJWTAURLHADBY-UHFFFAOYSA-N 1 1 279.340 2.134 10 5 CEBEMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@@H]1CCCO1 ZINC000050815141 521293863 /nfs/dbraw/zinc/29/38/63/521293863.db2.gz BYIGQXNVPYDOEL-ZDUSSCGKSA-N 1 1 279.340 2.178 10 5 CEBEMO