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/nfs/dbraw/zinc/68/78/16/395687816.db2.gz WNYBQQYHXCLKDA-UHFFFAOYSA-N 0 0 301.324 0.759 50 5 DCBARN C[C@H](NC(N)=O)C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003258513 395682357 /nfs/dbraw/zinc/68/23/57/395682357.db2.gz DVOULZZXFGDYMC-YUMQZZPRSA-N 0 0 324.293 0.522 50 5 DCBARN CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003244202 395682396 /nfs/dbraw/zinc/68/23/96/395682396.db2.gz BLVNTRSVJXLVRR-DTWKUNHWSA-N 0 0 323.305 0.990 50 5 DCBARN NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(Cl)nc2)c1=O ZINC000031812839 395708642 /nfs/dbraw/zinc/70/86/42/395708642.db2.gz PRYQMVBQOPPXFA-UHFFFAOYSA-N 0 0 308.681 0.952 50 5 DCBARN C[C@@H]1O[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000255982050 396032933 /nfs/dbraw/zinc/03/29/33/396032933.db2.gz JVQFCJCGZQPUHG-FBRIDRNKSA-N 0 0 301.320 0.514 50 5 DCBARN Cc1ccnc(NCCNS(=O)(=O)NC(C)C)c1[N+](=O)[O-] ZINC000276937745 396038218 /nfs/dbraw/zinc/03/82/18/396038218.db2.gz ALYPEIBPKLQJQQ-UHFFFAOYSA-N 0 0 317.371 0.543 50 5 DCBARN C[C@@H]1C[C@H](O)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000170606319 396094935 /nfs/dbraw/zinc/09/49/35/396094935.db2.gz OIGVMXUYJDPJLS-BDAKNGLRSA-N 0 0 300.336 0.958 50 5 DCBARN NC(=O)c1cc([N+](=O)[O-])cn(Cc2cccc(Cl)n2)c1=O ZINC000072304109 396130559 /nfs/dbraw/zinc/13/05/59/396130559.db2.gz ZHJZMDJAXJDYJW-UHFFFAOYSA-N 0 0 308.681 0.952 50 5 DCBARN CCOC(=O)c1cc(C(=O)O[C@@H](C)C(N)=O)cc([N+](=O)[O-])c1 ZINC000025051257 415158394 /nfs/dbraw/zinc/15/83/94/415158394.db2.gz ZRLCVQRXKLDATN-ZETCQYMHSA-N 0 0 310.262 0.802 50 5 DCBARN C[C@@H](C(=O)N1NC=C[C@]1(O)C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000006850518 415132275 /nfs/dbraw/zinc/13/22/75/415132275.db2.gz HNOSDQXBWYMKGH-RCOVLWMOSA-N 0 0 321.215 0.821 50 5 DCBARN CS(=O)(=O)N(c1ccc(F)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000068675265 415393353 /nfs/dbraw/zinc/39/33/53/415393353.db2.gz QCBYSGKWXOMGKP-UHFFFAOYSA-N 0 0 312.300 0.460 50 5 DCBARN CCOCCO[C@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000084802718 415498923 /nfs/dbraw/zinc/49/89/23/415498923.db2.gz YVWSQFLYZKSBFO-SNVBAGLBSA-N 0 0 300.315 0.349 50 5 DCBARN CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCN(C)CC2)n1 ZINC000005219633 276418712 /nfs/dbraw/zinc/41/87/12/276418712.db2.gz XONKCABNCXUIQL-SECBINFHSA-N 0 0 309.374 0.929 50 5 DCBARN Cn1nc([N+](=O)[O-])nc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000004082139 303044575 /nfs/dbraw/zinc/04/45/75/303044575.db2.gz JEDVNCJILNDFJP-ZJUUUORDSA-N 0 0 316.321 0.509 50 5 biogenic DCBARN O=C1NCCn2c(CCNc3ccc(F)cc3[N+](=O)[O-])nnc21 ZINC000952993701 665874278 /nfs/dbraw/zinc/87/42/78/665874278.db2.gz JCXAZNONYVSUTP-UHFFFAOYSA-N 0 0 320.284 0.723 50 5 DCBARN O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)ccc1Cl ZINC000169682624 197746802 /nfs/dbraw/zinc/74/68/02/197746802.db2.gz NGWUZGSHJOZWRB-UKKRHICBSA-N 0 0 304.686 0.099 50 5 biogenic DCBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCC[C@H]1O ZINC000072293719 191109709 /nfs/dbraw/zinc/10/97/09/191109709.db2.gz NHFJTFMWGHWQDA-ZYHUDNBSSA-N 0 0 309.322 0.424 50 5 DCBARN CCn1ncc([N+](=O)[O-])c1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000002782173 180956674 /nfs/dbraw/zinc/95/66/74/180956674.db2.gz UCRNDCCFGVTIAF-UHFFFAOYSA-N 0 0 323.269 0.346 50 5 DCBARN CCOC(CNc1nc(N)n(C)c(=O)c1[N+](=O)[O-])OCC ZINC000004114238 181075534 /nfs/dbraw/zinc/07/55/34/181075534.db2.gz UOPDYRMFLJLWFM-UHFFFAOYSA-N 0 0 301.303 0.082 50 5 DCBARN O=C1C[C@@H](N2CCOCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000004602127 181129235 /nfs/dbraw/zinc/12/92/35/181129235.db2.gz PEVRSIQPGRMSCF-GFCCVEGCSA-N 0 0 305.290 0.559 50 5 DCBARN O=C(c1nc[nH]n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004819019 181156201 /nfs/dbraw/zinc/15/62/01/181156201.db2.gz CPWPUSYJGUWMLY-UHFFFAOYSA-N 0 0 302.294 0.675 50 5 DCBARN Nc1nc(NCc2ccccc2)nc(NCCO)c1[N+](=O)[O-] ZINC000005151062 181209967 /nfs/dbraw/zinc/20/99/67/181209967.db2.gz XOMAQQHDZULQBS-UHFFFAOYSA-N 0 0 304.310 0.983 50 5 DCBARN O=C(Cn1cc([N+](=O)[O-])cn1)N1NC=C[C@]1(O)C(F)(F)F ZINC000006828469 181395827 /nfs/dbraw/zinc/39/58/27/181395827.db2.gz YPWJQLHRBZJPAG-QMMMGPOBSA-N 0 0 307.188 0.260 50 5 DCBARN NC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCOCC1 ZINC000019905188 182162238 /nfs/dbraw/zinc/16/22/38/182162238.db2.gz SQFWZAQQZQFRIR-UHFFFAOYSA-N 0 0 308.338 0.828 50 5 DCBARN O=C(CN1CCOCC1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC000019958469 182169955 /nfs/dbraw/zinc/16/99/55/182169955.db2.gz CNCJUVHAWLNQKJ-UHFFFAOYSA-N 0 0 322.365 0.845 50 5 DCBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)NC1CC1 ZINC000020892443 182252279 /nfs/dbraw/zinc/25/22/79/182252279.db2.gz OYRJZUCDOBOPRB-UHFFFAOYSA-N 0 0 323.305 0.434 50 5 DCBARN Cc1c([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCOCC2)nn1C ZINC000022239119 182314860 /nfs/dbraw/zinc/31/48/60/182314860.db2.gz KHRPAIYJKFJWDT-VIFPVBQESA-N 0 0 311.342 0.087 50 5 DCBARN C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000024986441 182397511 /nfs/dbraw/zinc/39/75/11/182397511.db2.gz YDKPHEKDIDUHDI-LLVKDONJSA-N 0 0 321.333 0.962 50 5 DCBARN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000004421289 296221262 /nfs/dbraw/zinc/22/12/62/296221262.db2.gz YXQJGWXJNJYORT-UHFFFAOYSA-N 0 0 321.333 0.904 50 5 DCBARN CNC(=O)[C@H]1CCCN1C(=O)CNc1ccc([N+](=O)[O-])cc1F ZINC000069518536 184522198 /nfs/dbraw/zinc/52/21/98/184522198.db2.gz JDDHVTUYDBAPQP-GFCCVEGCSA-N 0 0 324.312 0.883 50 5 DCBARN Nc1nc(N2CCOCC2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000004306194 134459825 /nfs/dbraw/zinc/45/98/25/134459825.db2.gz OTUVTDZHRMNPIX-VIFPVBQESA-N 0 0 324.341 0.395 50 5 DCBARN Cn1nnnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002568856 395681665 /nfs/dbraw/zinc/68/16/65/395681665.db2.gz TUFWQXGWBPPGFR-UHFFFAOYSA-N 0 0 312.286 0.988 50 5 DCBARN Cc1nn(C)c(C(=O)Nc2ccc(C(N)=O)cc2)c1[N+](=O)[O-] ZINC000002761896 395681745 /nfs/dbraw/zinc/68/17/45/395681745.db2.gz KPSPPGAOUPZKOW-UHFFFAOYSA-N 0 0 303.278 0.988 50 5 DCBARN CCn1cc(NC(=O)c2c([N+](=O)[O-])cnn2CC)c(C(N)=O)n1 ZINC000002780458 395681912 /nfs/dbraw/zinc/68/19/12/395681912.db2.gz DRGKVCZYQDTFEC-UHFFFAOYSA-N 0 0 321.297 0.379 50 5 DCBARN O=C(CN1CCN(CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000008132355 395684137 /nfs/dbraw/zinc/68/41/37/395684137.db2.gz QRRPZUYXDZCXCY-UHFFFAOYSA-N 0 0 308.338 0.143 50 5 DCBARN CCN1C[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000033181105 395716516 /nfs/dbraw/zinc/71/65/16/395716516.db2.gz QWWZPVYBCOEJTG-NSHDSACASA-N 0 0 320.349 0.991 50 5 DCBARN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1C(=O)NC1CC1 ZINC000045749438 395766069 /nfs/dbraw/zinc/76/60/69/395766069.db2.gz NEHSHOQQVJQYSK-NSHDSACASA-N 0 0 307.310 0.061 50 5 DCBARN CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@H](C)O ZINC000245242156 395927329 /nfs/dbraw/zinc/92/73/29/395927329.db2.gz DLNWZIVYKQXLTN-UNPMEBSKSA-N 0 0 301.383 0.794 50 5 biogenic DCBARN O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1Cl ZINC000052820254 395870445 /nfs/dbraw/zinc/87/04/45/395870445.db2.gz NXVIARMFVJXGIC-MWLCHTKSSA-N 0 0 311.725 0.851 50 5 DCBARN COc1ccc(S(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000000621090 286349025 /nfs/dbraw/zinc/34/90/25/286349025.db2.gz RGMCINHBTYWWNW-UHFFFAOYSA-N 0 0 302.308 0.624 50 5 DCBARN CCN1CCN(C(=O)[C@H](C)Oc2cccnc2[N+](=O)[O-])CC1 ZINC000025404347 415160998 /nfs/dbraw/zinc/16/09/98/415160998.db2.gz IDKDKEGOTYAJSE-NSHDSACASA-N 0 0 308.338 0.921 50 5 DCBARN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000034800858 415187281 /nfs/dbraw/zinc/18/72/81/415187281.db2.gz IYGSZRBSGJTEKJ-UHFFFAOYSA-N 0 0 315.351 0.540 50 5 DCBARN O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)ccc1Cl ZINC000102805858 415601137 /nfs/dbraw/zinc/60/11/37/415601137.db2.gz NGWUZGSHJOZWRB-LNFKQOIKSA-N 0 0 304.686 0.099 50 5 biogenic DCBARN COCCN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1=O ZINC000193525480 277220427 /nfs/dbraw/zinc/22/04/27/277220427.db2.gz LGUIVZADRUAREU-UHFFFAOYSA-N 0 0 308.338 0.862 50 5 DCBARN Cn1c2cn(-c3cccc([N+](=O)[O-])c3)cc2c(=O)n(C)c1=O ZINC000000206339 282607406 /nfs/dbraw/zinc/60/74/06/282607406.db2.gz HIFYVFPWUORGIC-UHFFFAOYSA-N 0 0 300.274 0.936 50 5 DCBARN O=C(CN1C(=O)[C@H]2CCCN2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003905277 181055017 /nfs/dbraw/zinc/05/50/17/181055017.db2.gz XCSINMXQRQHQJH-LLVKDONJSA-N 0 0 318.289 0.960 50 5 DCBARN CC(=O)NCCNc1ccc(N2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000004684435 181136551 /nfs/dbraw/zinc/13/65/51/181136551.db2.gz FDLKWOMMENURNS-UHFFFAOYSA-N 0 0 320.305 0.796 50 5 DCBARN O=C(Cn1cc([N+](=O)[O-])cn1)NCCCO[C@H]1CCCCO1 ZINC000408515618 239271505 /nfs/dbraw/zinc/27/15/05/239271505.db2.gz IQUFWHUDXAPKFG-ZDUSSCGKSA-N 0 0 312.326 0.841 50 5 DCBARN CC(=O)N1CCN(C(=O)COc2cccnc2[N+](=O)[O-])CC1 ZINC000007544890 181474173 /nfs/dbraw/zinc/47/41/73/181474173.db2.gz SMCBXOQBZOANAI-UHFFFAOYSA-N 0 0 308.294 0.059 50 5 DCBARN COC(=O)c1ccc(OCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000023103738 182347875 /nfs/dbraw/zinc/34/78/75/182347875.db2.gz UHDZACZXRFHJSV-UHFFFAOYSA-N 0 0 322.273 0.909 50 5 DCBARN Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1NS(C)(=O)=O ZINC000065478505 184352363 /nfs/dbraw/zinc/35/23/63/184352363.db2.gz HRUPVDOICHDFDF-MWLCHTKSSA-N 0 0 313.335 0.970 50 5 DCBARN NS(=O)(=O)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000071902775 184896770 /nfs/dbraw/zinc/89/67/70/184896770.db2.gz WMNSBYDTQWZNFD-UHFFFAOYSA-N 0 0 300.340 0.495 50 5 DCBARN O=C1CCC(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000019851066 134639964 /nfs/dbraw/zinc/63/99/64/134639964.db2.gz CUJQSQDOHULZQW-UHFFFAOYSA-N 0 0 318.333 0.823 50 5 DCBARN COC(=O)C1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000009420761 395685256 /nfs/dbraw/zinc/68/52/56/395685256.db2.gz XYMYMIONGRUVSI-UHFFFAOYSA-N 0 0 310.310 0.511 50 5 DCBARN O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000010326810 395686041 /nfs/dbraw/zinc/68/60/41/395686041.db2.gz MQQJSRPFDGMGGX-VIFPVBQESA-N 0 0 311.269 0.968 50 5 DCBARN COC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCS(=O)(=O)C1 ZINC000012545548 395687718 /nfs/dbraw/zinc/68/77/18/395687718.db2.gz WJDXSHHCIRKRDL-MRVPVSSYSA-N 0 0 314.319 0.980 50 5 DCBARN Cc1nn(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])c(C)c1[N+](=O)[O-] 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Cc1cccc(C(=O)OCC(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000003495081 181026540 /nfs/dbraw/zinc/02/65/40/181026540.db2.gz FZVXVOVTFWMBEU-UHFFFAOYSA-N 0 0 308.290 0.919 50 5 DCBARN COC(=O)CSc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(N)=O ZINC000003669522 181044474 /nfs/dbraw/zinc/04/44/74/181044474.db2.gz VMZGTWBHDLXVRK-UHFFFAOYSA-N 0 0 315.263 0.867 50 5 DCBARN O=C(COc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCS(=O)(=O)C1 ZINC000004141379 181078452 /nfs/dbraw/zinc/07/84/52/181078452.db2.gz QAJFXTGCQNBGRQ-LLVKDONJSA-N 0 0 315.303 0.704 50 5 DCBARN CCN1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)C1=O ZINC000004326352 181098124 /nfs/dbraw/zinc/09/81/24/181098124.db2.gz YCVKJYFEMRKQBN-UHFFFAOYSA-N 0 0 320.305 0.224 50 5 DCBARN O=C(NN1CCCCC1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 ZINC000012428319 181760966 /nfs/dbraw/zinc/76/09/66/181760966.db2.gz IYRPMVRDHJTYTP-UHFFFAOYSA-N 0 0 321.297 0.353 50 5 DCBARN Cc1nn(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000058213749 184088564 /nfs/dbraw/zinc/08/85/64/184088564.db2.gz OZCDPGUILVXMLZ-GIPNMCIBSA-N 0 0 312.370 0.878 50 5 DCBARN Cn1c(=O)cc(COc2ccc([N+](=O)[O-])cc2F)n(C)c1=O ZINC000059011679 184133995 /nfs/dbraw/zinc/13/39/95/184133995.db2.gz DYOYWKFSLVTXAG-UHFFFAOYSA-N 0 0 309.253 0.710 50 5 DCBARN O=C(c1ccccc1)[C@H]1CN2CN3CN1C[C@]([N+](=O)[O-])(C3)C2 ZINC000019324835 395691066 /nfs/dbraw/zinc/69/10/66/395691066.db2.gz XITRGBYWPOZLMP-UKRRQHHQSA-N 0 0 302.334 0.115 50 5 DCBARN CNC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000000582000 395680563 /nfs/dbraw/zinc/68/05/63/395680563.db2.gz CMPASEJYDVYWMM-UHFFFAOYSA-N 0 0 317.323 0.115 50 5 DCBARN Cn1ncc2c3nc(CCn4ccc([N+](=O)[O-])n4)nn3cnc21 ZINC000002803065 395681910 /nfs/dbraw/zinc/68/19/10/395681910.db2.gz JXJFJFIIAFQQOF-UHFFFAOYSA-N 0 0 313.281 0.358 50 5 DCBARN NC(=O)[C@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000069780639 396090491 /nfs/dbraw/zinc/09/04/91/396090491.db2.gz RCIUKCRYFPKRFL-GFCCVEGCSA-N 0 0 306.322 0.873 50 5 DCBARN Cc1ccc([N+](=O)[O-])cc1N(S(C)(=O)=O)S(C)(=O)=O ZINC000001026818 292293275 /nfs/dbraw/zinc/29/32/75/292293275.db2.gz AANYHLKFVXTOAC-UHFFFAOYSA-N 0 0 308.337 0.629 50 5 DCBARN CCN1CCN(C(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])CC1 ZINC000025404343 415160535 /nfs/dbraw/zinc/16/05/35/415160535.db2.gz IDKDKEGOTYAJSE-LLVKDONJSA-N 0 0 308.338 0.921 50 5 DCBARN Cc1nn(CC(=O)NC(=O)c2cccn2C)c(C)c1[N+](=O)[O-] ZINC000007735759 415141831 /nfs/dbraw/zinc/14/18/31/415141831.db2.gz PTYQZNWKYYMPNL-UHFFFAOYSA-N 0 0 305.294 0.703 50 5 DCBARN CCOCCO[C@@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000084802717 415499443 /nfs/dbraw/zinc/49/94/43/415499443.db2.gz YVWSQFLYZKSBFO-JTQLQIEISA-N 0 0 300.315 0.349 50 5 DCBARN CN1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000097085537 415579225 /nfs/dbraw/zinc/57/92/25/415579225.db2.gz WEHSVCDKMQISNN-UHFFFAOYSA-N 0 0 313.379 0.616 50 5 DCBARN NS(=O)(=O)C[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000071899632 295282631 /nfs/dbraw/zinc/28/26/31/295282631.db2.gz 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