smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc([N+](=O)[O-])ccc1N(C)Cc1cccc(C(N)=O)c1	78726150	CCDDNTPKARHJPM-UHFFFAOYSA-N	315.329	2.339	5	40	DEBB	
C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)n1cc([N+](=O)[O-])cn1	97233261	QTUQBJMHUXBKDB-JTQLQIEISA-N	300.318	2.480	5	40	DEBB	
O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[C@H]1O	96461591	VHMLKCLFZIRWKJ-DZGCQCFKSA-N	306.362	2.195	5	40	DEBB	
COCCN(c1ncc([N+](=O)[O-])c(NC2CC2)n1)C1CCCC1	50932500	YMWFSSAPXFOSAG-UHFFFAOYSA-N	321.381	2.355	5	40	DEBB	
O=c1c2cc3c(cc2c2cc([N+](=O)[O-])cc4c2n1CC4)OCO3	1562672	LPFFOQLAPYTMDQ-UHFFFAOYSA-N	310.265	2.348	5	40	DEBB	
CC(C)N1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1	69596343	JUPVXMVXLDRUFZ-HSBSLETESA-N	303.362	2.207	5	40	DEBB	
O=[N+]([O-])c1cc2c(c(CSc3cccc[n+]3[O-])c1)OCOC2	5937577	OSXSPQWLGXBRQV-UHFFFAOYSA-N	320.326	2.387	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)Cc1ccccc1	71856871	JOJMNUOOHPBODP-OAHLLOKOSA-N	314.341	2.237	5	40	DEBB	
NC(=O)c1ccccc1COC(=O)c1cccc([N+](=O)[O-])c1	72273566	VSQSUELFDGEVIJ-UHFFFAOYSA-N	300.270	2.051	5	40	DEBB	
CCN(CC)[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1	76086443	PEUNLRGHCCAQBQ-OAHLLOKOSA-N	320.393	2.221	5	40	DEBB	
Cc1cc(N2CCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-]	160390673	ABKDZIGGPZLUTL-HNNXBMFYSA-N	305.378	2.204	5	40	DEBB	
O=C(C1CC1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1	4120088	NRPIVVFYPKZQGB-UHFFFAOYSA-N	305.359	2.436	5	40	DEBB	
Cc1c(C(=O)NC[C@@H]2COC3(CCCC3)O2)cccc1[N+](=O)[O-]	10220473	DCSCPZRFWOAFLH-GFCCVEGCSA-N	320.345	2.319	5	40	DEBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)o1	22242758	WNZJPCNQTJKGPG-JTQLQIEISA-N	310.693	2.305	5	40	DEBB	
COCc1cc([N+](=O)[O-])ccc1NCc1nnc2ccccn12	80535168	KWVLBDPNFHMPKK-UHFFFAOYSA-N	313.317	2.396	5	40	DEBB	
O=c1nc2scnn2c2nc3nc4ccccc4cc3cc12	41074280	GGTLNDCADDDHTR-UHFFFAOYSA-N	305.322	2.401	5	40	DEBB	
COCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[C@H](C)C1	225391939	OUBAZAYDSCABNL-RYUDHWBXSA-N	321.377	2.454	5	40	DEBB	
C[C@@H]1CCCCN1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1	5528004	RFONWHCTKVPPOO-SNVBAGLBSA-N	300.336	2.093	5	40	DEBB	
CC(C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1	27633249	KKWXQHJAMBNUKB-HNNXBMFYSA-N	316.361	2.347	5	40	DEBB	
CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccnc(C)n1	65532373	WQTLLYXRHZSYIB-UHFFFAOYSA-N	300.318	2.356	5	40	DEBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccco1	25315168	SHPUIKOAJFORPR-UHFFFAOYSA-N	319.317	2.176	5	40	DEBB	
CC(=O)c1ccc(N2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1	60362979	KGIKTQIBQVOPSQ-CYBMUJFWSA-N	320.345	2.387	5	40	DEBB	
Cn1cnnc1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1	90070264	QWNVEFMUZYYOTE-UHFFFAOYSA-N	310.317	2.397	5	40	DEBB	
O=C(Cn1nccc1[N+](=O)[O-])Nc1ccccc1OC(F)F	47169793	KKJSCENYQDAZBO-UHFFFAOYSA-N	312.232	2.031	5	40	DEBB	
COc1ccc(C(=O)N=c2[nH]c3ccccc3[nH]2)cc1[N+](=O)[O-]	7598613	STQWSNGTFZVOOR-UHFFFAOYSA-N	312.285	2.154	5	40	DEBB	
CC(C)CCNc1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1	5142990	WSOOMQTXBYIEGX-SNVBAGLBSA-N	324.385	2.016	5	40	DEBB	
C[C@H](O)CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1	71908241	SOKXQBKJXIOAFZ-NSHDSACASA-N	307.350	2.014	5	40	DEBB	
Cc1cc(NC(=O)N(C)CCn2cccn2)ccc1[N+](=O)[O-]	97163028	YHDQFVHMYQBLKC-UHFFFAOYSA-N	303.322	2.264	5	40	DEBB	
O=[N+]([O-])c1ncn(Cc2ncc(C(F)(F)F)cc2Cl)n1	22996805	UDYQEXDTJJXFJG-UHFFFAOYSA-N	307.619	2.302	5	40	DEBB	
O=C(O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	25075204	MWXPPZARWSMLCS-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CO)C2)cc1[N+](=O)[O-]	84190171	OFCOQYRGFHYMDX-CHWSQXEVSA-N	321.377	2.378	5	40	DEBB	
CC(C)(C)NC(=O)Cn1cncc1-c1ccc([N+](=O)[O-])cc1	87200	MIPRSOHLMCSDMM-UHFFFAOYSA-N	302.334	2.373	5	40	DEBB	
CCN1CCN(C(=S)Sc2ncccc2[N+](=O)[O-])CC1	13575935	MXUXGGGMECAUBS-UHFFFAOYSA-N	312.420	2.004	5	40	DEBB	
CCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1	70462427	VWPUIQMQBKJYSD-UHFFFAOYSA-N	308.319	2.431	5	40	DEBB	
COCCC1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCCC1	195577230	SDMGVAZTLTXXHH-UHFFFAOYSA-N	307.350	2.256	5	40	DEBB	
COc1cccc(C(=O)N(C)Cc2c(C)noc2C)c1[N+](=O)[O-]	195417248	DGTDSNYQYSJOPV-UHFFFAOYSA-N	319.317	2.480	5	40	DEBB	
CCc1noc(C)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1	53215109	HZPNIHNSKUSZMG-UHFFFAOYSA-N	303.318	2.426	5	40	DEBB	
O=C(CNc1cccc([N+](=O)[O-])c1)NC(=O)NC1CCCCC1	8342882	FQXFZMSSBIWCFC-UHFFFAOYSA-N	320.349	2.165	5	40	DEBB	
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC(C)C)ccc1[N+](=O)[O-]	69456095	JYIKZIMICXOKCQ-CQSZACIVSA-N	319.361	2.032	5	40	DEBB	
CCCCC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-]	8877526	MCGGFPBDPLURKU-UHFFFAOYSA-N	310.350	2.461	5	40	DEBB	
CCCn1cc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cn1	195576737	TZYJDALPFWCFQF-UHFFFAOYSA-N	324.362	2.348	5	40	DEBB	
O=[N+]([O-])c1cc(Br)ccc1OC1CCNCC1	42775688	ZFKQXKZWTKYQEG-UHFFFAOYSA-N	301.140	2.488	5	40	DEBB	
CCOC(=O)[C@H](F)[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1	585142598	ZLPZKTVLPICYKI-WDEREUQCSA-N	311.313	2.026	5	40	DEBB	
O=C(COC(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-]	5128787	FNWNLELEQLLHDT-UHFFFAOYSA-N	300.270	2.390	5	40	DEBB	
CC(C)(C)OC(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1	58406226	JVGXXXMVRXPCOH-UHFFFAOYSA-N	321.377	2.059	5	40	DEBB	
COc1ncccc1C(=O)N(C)Cc1cccc([N+](=O)[O-])c1	25256180	FDJDJOMMQAGQKA-UHFFFAOYSA-N	301.302	2.271	5	40	DEBB	
O=C(O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	6315986	ZHVUPYFYOFHVSL-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
COc1cc(NC(=O)COC(=O)C=C(C)C)c(C)cc1[N+](=O)[O-]	4870754	YKTUGUDSALFIPK-UHFFFAOYSA-N	322.317	2.360	5	40	DEBB	
CC(C)Cc1noc(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1	25247155	JOPOBFNKQBIRRI-UHFFFAOYSA-N	320.305	2.116	5	40	DEBB	
Cc1ccc(C(=O)OCCCn2ccccc2=O)cc1[N+](=O)[O-]	78442897	RJUSDYHGHLECLX-UHFFFAOYSA-N	316.313	2.312	5	40	DEBB	
O=C(Nc1ccn(CC(F)F)n1)c1ccc([N+](=O)[O-])cc1F	96451787	XPYUGPIOQINNNS-UHFFFAOYSA-N	314.223	2.448	5	40	DEBB	
Cc1nn(C)c(NC[C@H]2COC3(CCCCC3)O2)c1[N+](=O)[O-]	96492854	HJXKSARYXYDAMD-NSHDSACASA-N	310.354	2.124	5	40	DEBB	
O=c1nc2n(-c3ccc(F)cc3)c3ccccc3cc-2c(=O)[nH]1	69154	MWCMHOFFZHQMFV-UHFFFAOYSA-N	307.284	2.318	5	40	DEBB	
O=C1[C@H](n2cc([N+](=O)[O-])cn2)CCCN1c1ccccc1F	95994859	CAZVBJLWGBBNDJ-CYBMUJFWSA-N	304.281	2.299	5	40	DEBB	
CCCCOC[C@H](O)C[N+]1(Cc2ccccc2)CCOCC1	17270618	OAEQMBZAPBHBGH-GOSISDBHSA-N	308.442	2.211	5	40	DEBB	
O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCCCC1	66265551	WWUKMSPYQIKVED-UHFFFAOYSA-N	306.318	2.382	5	40	DEBB	
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	72274399	DREGREWRBXBWGS-GFCCVEGCSA-N	323.324	2.464	5	40	DEBB	
Cc1cc(NC(=O)NCC[C@@H](C)[S@](C)=O)ccc1[N+](=O)[O-]	97096002	DNJMFDAHWMYZOE-LADRHHBVSA-N	313.379	2.182	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccccc1	32400844	VSVHGQMOJRLKKO-UHFFFAOYSA-N	322.342	2.082	5	40	DEBB	
C[C@@H]1CC[C@@H](C)N1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	96502003	NMFBACPTOZQYFO-VXGBXAGGSA-N	312.391	2.241	5	40	DEBB	
C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cn1cccn1	40554341	DEIMURXJHOGWBJ-NSHDSACASA-N	303.322	2.249	5	40	DEBB	
C[C@@H]1CCO[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	104949169	ZLZQWILFRWOBSH-PRHODGIISA-N	310.262	2.085	5	40	DEBB	
CC(C)(C)NS(=O)(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	8148476	GJXFTRFMKIOMIA-UHFFFAOYSA-N	313.379	2.246	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@@H]1CC1(Cl)Cl	7158209	NLWGPPNWWZCMBW-LURJTMIESA-N	315.112	2.385	5	40	DEBB	
NC(=O)CN(Cc1ccccc1)Cc1csc([N+](=O)[O-])c1	71900605	OLJACKURWJIJKI-UHFFFAOYSA-N	305.359	2.144	5	40	DEBB	
CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	72274400	DREGREWRBXBWGS-LBPRGKRZSA-N	323.324	2.464	5	40	DEBB	
C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H](c2ccc(F)cc2)O1	107060450	FFFKAUZSMRGEDX-MFKMUULPSA-N	320.324	2.434	5	40	DEBB	
COc1cc([C@H]2NC(=O)c3ccccc3N2)c([N+](=O)[O-])cc1O	9322681	AZHDAEKGIUJFPT-CQSZACIVSA-N	315.285	2.163	5	40	DEBB	
CC(C)c1nnc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	97377888	YKAORKOCDHDMHH-UHFFFAOYSA-N	318.337	2.168	5	40	DEBB	
CCOC(=O)c1cc(Cl)c(N2CCOCC2)c([N+](=O)[O-])c1	70462626	KLGBLPPXVAJPIL-UHFFFAOYSA-N	314.725	2.262	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1ccccc1	14401155	KKUIOMRGZZEZIZ-UHFFFAOYSA-N	320.370	2.424	5	40	DEBB	
Cn1c(=O)nc2n(-c3ccc(F)cc3)c3ccccc3cc-2c1=O	554777	XABQWIZGMVUISI-UHFFFAOYSA-N	321.311	2.328	5	40	DEBB	
C[C@@H]1CCC[C@@H](C)N1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	6795017	VDTTVMJMGFSKMF-GHMZBOCLSA-N	313.379	2.051	5	40	DEBB	
C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cn1	7545162	XLQSVGDYSZINNS-QMMMGPOBSA-N	322.708	2.444	5	40	DEBB	
O=C(O)c1cc(Cl)c(Sc2nnc[nH]2)c([N+](=O)[O-])c1	70462481	HTSKRCJVIQUTGN-UHFFFAOYSA-N	300.683	2.216	5	40	DEBB	
O=[N+]([O-])c1cccnc1N1CCCN(c2nccs2)CC1	58158453	GJBCAIZBLPEDLQ-UHFFFAOYSA-N	305.363	2.163	5	40	DEBB	
O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1O	4995797	BMPXWMWECGWXNI-UHFFFAOYSA-N	304.214	2.428	5	40	DEBB	
O=C(O[C@H]1CCOC1)c1ccc(Br)cc1[N+](=O)[O-]	80392078	AOMAXKPYTKGANT-QMMMGPOBSA-N	316.107	2.303	5	40	DEBB	
O=[N+]([O-])c1ccc(NCC2(O)CCOCC2)c2ccncc12	69978616	QTRFKMOHVYFDKJ-UHFFFAOYSA-N	303.318	2.096	5	40	DEBB	
Cc1c(NC(=O)CSc2cccc[n+]2[O-])cccc1[N+](=O)[O-]	19674708	JEJLDDPPHLZSEW-UHFFFAOYSA-N	319.342	2.267	5	40	DEBB	
NC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C2CCCC2)C1	84351059	IRHZSPCFSXPYBE-NSHDSACASA-N	318.377	2.123	5	40	DEBB	
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]nnc2c1	89780818	MSSLONOAZXUZDB-UHFFFAOYSA-N	311.301	2.437	5	40	DEBB	
CN(C)C(=O)[C@@H]1CCCN1c1nc2ccc([N+](=O)[O-])cc2s1	65519411	WAADGCKUMOGACA-NSHDSACASA-N	320.374	2.262	5	40	DEBB	
COc1ccc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	9154557	JFGZQOPPIDGMSV-OAHLLOKOSA-N	316.313	2.067	5	40	DEBB	
CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)c1cccc(C)c1	72332086	WADMZZCPKRXUKR-UHFFFAOYSA-N	302.334	2.461	5	40	DEBB	
CC[C@@H](C)[C@@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	97376215	PCCILVQACCXJPM-RKDXNWHRSA-N	301.368	2.089	5	40	DEBB	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)n1cncn1	56988316	AANTXSSGEYWPRD-LBPRGKRZSA-N	317.349	2.185	5	40	DEBB	
COc1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-]	2625925	RSAAWAKESBFYJU-UHFFFAOYSA-N	303.274	2.016	5	40	DEBB	
C[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	2779308	DXAFAQVGOKCICA-LLVKDONJSA-N	318.333	2.447	5	40	DEBB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-]	16088915	OWKLHAWNGQLSBC-UHFFFAOYSA-N	314.363	2.168	5	40	DEBB	
CC(=O)c1ccc(N2CCC[C@H]2Cn2cncn2)c([N+](=O)[O-])c1	95351527	RNZOSWAQTJTXMJ-ZDUSSCGKSA-N	315.333	2.058	5	40	DEBB	
O=[N+]([O-])c1cccnc1NCCc1n[nH]c(-c2ccco2)n1	75140739	QICDFNBNZYHTIE-UHFFFAOYSA-N	300.278	2.023	5	40	DEBB	
C[C@H]1COC2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)O1	96414908	LGUAFJNEGXOFFH-ZDUSSCGKSA-N	306.362	2.365	5	40	DEBB	
O=C(O)c1cc([N+](=O)[O-])c(Sc2ncccn2)c([N+](=O)[O-])c1	16546077	YOJDBWMNUKIPKO-UHFFFAOYSA-N	322.258	2.142	5	40	DEBB	
COc1ccc(Cl)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-]	69716	ZFOBLHLSAVDIMI-UHFFFAOYSA-N	310.697	2.243	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O	4155864	XXEUORHXHOMNOK-PSJXJDHFSA-N	302.286	2.056	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCCN(c3nccs3)CC2)nc1	58158566	OKBJFQRDGDUIJH-UHFFFAOYSA-N	305.363	2.163	5	40	DEBB	
Cn1c(CNC(=O)c2ccc([N+](=O)[O-])o2)nc2ccccc21	49574137	HSSDGZDEFNSBDD-UHFFFAOYSA-N	300.274	2.005	5	40	DEBB	
Cc1nn(CC(=O)N(C)Cc2ccccc2)c(C)c1[N+](=O)[O-]	17333927	GOISKGNQJNBTPM-UHFFFAOYSA-N	302.334	2.067	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C(C)C	66248480	IAYPEEAPENYXAM-UHFFFAOYSA-N	324.362	2.481	5	40	DEBB	
Cc1ccc(CN(C)C(=O)c2cnc(O)c([N+](=O)[O-])c2)s1	193537714	JWDSXGRXUKDLGD-UHFFFAOYSA-N	307.331	2.338	5	40	DEBB	
Cc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nnn2c31	5732916	VOKYJMLZEOIPFL-UHFFFAOYSA-N	321.384	2.116	5	40	DEBB	
CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	67907	OKKCBEJIMTWMRR-UHFFFAOYSA-N	321.358	2.462	5	40	DEBB	
COc1cccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	10327754	LLWPVIDCLPDPFJ-UHFFFAOYSA-N	315.285	2.181	5	40	DEBB	
Nc1sc2cccc[n+]2c1C(=O)c1ccc([N+](=O)[O-])cc1	6449068	ALCVKVCZTFRKBW-UHFFFAOYSA-O	300.319	2.208	5	40	DEBB	
CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)c2cccnc2N1	71186341	UPWHIHBJPNDGGD-AWEZNQCLSA-N	314.301	2.243	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)C(F)F)cc1Br	604221782	PFGITGLFLUUIHG-UHFFFAOYSA-N	316.079	2.354	5	40	DEBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCn1cccn1	30501981	XTTZBIQYGOZIGV-BQYQJAHWSA-N	300.318	2.011	5	40	DEBB	
C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1	45496620	SGJFPISYJOZRCF-GHMZBOCLSA-N	310.375	2.323	5	40	DEBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1cnn(C)c1	31930537	BTDXZZGKEBXROH-BQYQJAHWSA-N	300.318	2.000	5	40	DEBB	
COC(=O)c1c(N)c2cc([N+](=O)[O-])cnc2n1CCC(C)C	575399761	DWQCYHCTHFYTBP-UHFFFAOYSA-N	306.322	2.359	5	40	DEBB	
O=[N+]([O-])c1ccccc1/C=C/CN1CCCC2(C1)OCCO2	97377025	RIGCTLMYMGCSKA-ZZXKWVIFSA-N	304.346	2.447	5	40	DEBB	
N[C@@H](c1ccccc1)c1n[nH]c(-c2ccc(O)c([N+](=O)[O-])c2)n1	95533478	AQLKUZJDVJBJEN-ZDUSSCGKSA-N	311.301	2.134	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@@H]2C12CC2	5050264	AZAGKUWCVIURNI-XGUBFFRZSA-N	324.336	2.292	5	40	DEBB	
CCOC(=O)C1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1	6385976	WATRBAZDOOLIKK-UHFFFAOYSA-N	320.345	2.319	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])C1	12684180	JRPLBVJAMMYFSS-TXEJJXNPSA-N	320.345	2.256	5	40	DEBB	
Cc1nn(C)cc1[C@@H](C)Nc1nc2ccccn2c1[N+](=O)[O-]	71904217	LEEBLJIDTMXWDV-SECBINFHSA-N	300.322	2.458	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@H](O)Cc2ccccc2C(F)(F)F)cn1	95433515	CPOKZWXWPBXIOC-SNVBAGLBSA-N	315.251	2.414	5	40	DEBB	
COc1ccccc1-n1c2nc(=O)[nH]c(=O)c-2cc2ccccc21	52292	LOYDJHIVXJQNMZ-UHFFFAOYSA-N	319.320	2.187	5	40	DEBB	
O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCC[C@H](O)C2)c1	3326963	ZXVCXPKLMITRPK-VIFPVBQESA-N	315.782	2.402	5	40	DEBB	
CC(=O)n1cc([C@H](C[N+](=O)[O-])SCCN)c2ccccc21	1871950	MDKWQOMHWROFIK-AWEZNQCLSA-N	307.375	2.311	5	40	DEBB	
COc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1[N+](=O)[O-]	12541726	IEIHPVWEQMUQTK-UHFFFAOYSA-N	324.314	2.110	5	40	DEBB	
CCNc1ccc(C(=O)NCCc2ccccn2)cc1[N+](=O)[O-]	5699711	PJYJMKQHHPICOW-UHFFFAOYSA-N	314.345	2.394	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)s1	67877175	BEMGEIAKTYVJIN-WDEREUQCSA-N	324.383	2.491	5	40	DEBB	
C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2	12466998	PIPAJLPNWZMYQA-FCLJQHQZSA-N	304.410	2.076	5	40	DEBB	in-man
CC1(C)[C@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21	104314055	RVHHHUJUGJFYNG-STQMWFEESA-N	310.375	2.012	5	40	DEBB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1[N+](=O)[O-]	53866975	OVWSJKIADPVDIA-SNVBAGLBSA-N	323.349	2.124	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c1	69769571	GRFIPXDYAGHADV-UHFFFAOYSA-N	324.270	2.271	5	40	DEBB	
Cc1cnn(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1	71799840	QHFGVVOHRGMTIQ-LBPRGKRZSA-N	314.345	2.468	5	40	DEBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCn1cccn1	30501961	UNLXNRIXOMINIW-VOTSOKGWSA-N	300.318	2.011	5	40	DEBB	
O=[N+]([O-])c1ccc(NCc2nc(-c3cccs3)n[nH]2)nc1	66467993	QEYYAQYDCVNUEY-UHFFFAOYSA-N	302.319	2.449	5	40	DEBB	
O=C(c1cc(F)ccc1F)N1CCc2ncc([N+](=O)[O-])cc2C1	95992864	QLQVYKSEJVTALC-UHFFFAOYSA-N	319.267	2.467	5	40	DEBB	
O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2cn[nH]c2c1	43807426	XFBRZJLRAZFIPJ-UHFFFAOYSA-N	312.285	2.489	5	40	DEBB	
Cc1noc(C)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O	195567437	KXGYYXFBJXVXAF-ZETCQYMHSA-N	305.290	2.396	5	40	DEBB	
Cc1cc(S(=O)(=O)NCc2ncccc2C)ccc1[N+](=O)[O-]	96406684	WMXWIQRJNHJDOI-UHFFFAOYSA-N	321.358	2.085	5	40	DEBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nccs2)CC1	11187569	SWSVXTTUGZVITJ-UHFFFAOYSA-N	318.358	2.014	5	40	DEBB	
Cc1ccoc1C(=O)NCCCNc1ccc([N+](=O)[O-])cn1	71915200	SNYPNRASMPHBAU-UHFFFAOYSA-N	304.306	2.123	5	40	DEBB	
Cc1ccccc1C(C)(C)CNC(=O)Cn1ccc([N+](=O)[O-])n1	69493587	BIPMLWCMSKZKKR-UHFFFAOYSA-N	316.361	2.194	5	40	DEBB	
Cc1ccc(N2CCC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	95973057	UIMVZYCOGFYWJU-ZDUSSCGKSA-N	301.350	2.411	5	40	DEBB	
COc1cccc([C@@H](CO)Nc2ncc(C)cc2[N+](=O)[O-])c1	78668036	CGXZSPJLKULQJC-CYBMUJFWSA-N	303.318	2.452	5	40	DEBB	
Cc1nn(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1C	191387758	MODKGRASSCELJX-CQSZACIVSA-N	305.334	2.156	5	40	DEBB	
CC[C@@](Cl)([C@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	96520685	SEESPORKPZPMFG-NEPJUHHUSA-N	321.782	2.408	5	40	DEBB	
O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC1	6622617	RRLSSKAVODMAGE-UHFFFAOYSA-N	306.347	2.186	5	40	DEBB	
CSC1=C([N+](=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C	8346048	CLXZPJVGFBMMFQ-VIFPVBQESA-N	324.318	2.100	5	40	DEBB	
CN(C)c1cc(C(=O)OCc2ccccc2[N+](=O)[O-])ccn1	45903612	XOCXPABCAJSHGV-UHFFFAOYSA-N	301.302	2.413	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)c2ccsc2n1	9417330	HBZSRFBZQHGNPR-UHFFFAOYSA-N	308.348	2.066	5	40	DEBB	
CCCc1[nH]nc(C(=O)Nc2cccc3cn[nH]c23)c1[N+](=O)[O-]	96414249	HCJROFSOEAMBFF-UHFFFAOYSA-N	314.305	2.399	5	40	DEBB	
CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2[N+](=O)[O-])C1	67800866	VZFLNSWDDBREJL-JTQLQIEISA-N	309.322	2.378	5	40	DEBB	
COc1ccc(NC(=O)CSc2nnc(C)o2)c([N+](=O)[O-])c1	7605454	KOOUWFLAKGKREY-UHFFFAOYSA-N	324.318	2.026	5	40	DEBB	
CCC(CC)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	4903705	ZDPHOSSOANQHAG-UHFFFAOYSA-N	321.377	2.350	5	40	DEBB	
Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1C	71884036	AVLZSXJZMKIIFT-UHFFFAOYSA-N	302.290	2.019	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1NCc1ccnc(OCC2CC2)c1	101032311	BMBHPNPJLZYXNF-UHFFFAOYSA-N	303.322	2.124	5	40	DEBB	
CCOC(=O)c1cc([N+](=O)[O-])c(N2CCCC2)c([N+](=O)[O-])c1	26508810	COMTYGBMJATFCJ-UHFFFAOYSA-N	309.278	2.280	5	40	DEBB	
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cnn(CC)c1	72291937	GIQBJGDKKUMCNT-LBPRGKRZSA-N	318.333	2.398	5	40	DEBB	
C[C@@]1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCO1	95442761	TYNMGXWIAQHXIH-HNNXBMFYSA-N	307.350	2.006	5	40	DEBB	
Cc1cnc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)s1	409203999	BAGRAXOHJLDBEC-UHFFFAOYSA-N	321.314	2.155	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1	318679	YTCYUIMRGPHUKD-UHFFFAOYSA-N	313.722	2.444	5	40	DEBB	
Cc1cc(C(=O)N[C@H]2CCN3CCCC[C@H]23)ccc1[N+](=O)[O-]	47226759	RPCQENURCKNZOD-DZGCQCFKSA-N	303.362	2.260	5	40	DEBB	
O=[N+]([O-])c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])ccc([N+](=O)[O-])c12	104122260	YOYJZNWSWVZEKY-UHFFFAOYSA-N	308.162	2.473	5	40	DEBB	
COc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1	3234289	TXWHUBLHLMUUND-UHFFFAOYSA-N	305.242	2.236	5	40	DEBB	
O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccc(F)cc2)cn1	95398322	WJGVJWCVAAOSPZ-LBPRGKRZSA-N	305.309	2.392	5	40	DEBB	
O=C1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5003165	YZSSEYTUQPHWFK-UHFFFAOYSA-N	313.225	2.304	5	40	DEBB	
Cc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C(C)C)cc1	16310772	CGCPSCGCZOVMQO-UHFFFAOYSA-N	309.347	2.460	5	40	DEBB	
C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2	100073430	PIPAJLPNWZMYQA-ZOBUZTSGSA-N	304.410	2.076	5	40	DEBB	biogenic,in-man
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccsc2)c1	96435726	AVZYDHOLDVPDTN-KBPBESRZSA-N	322.390	2.051	5	40	DEBB	
O=C1N[C@H](c2ccccc2[N+](=O)[O-])c2c(-c3ccco3)n[nH]c21	20855224	ICYXPTXPVMTFCJ-GFCCVEGCSA-N	310.269	2.411	5	40	DEBB	
C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1	95417783	AZYKOCRDTNBZMY-PWSUYJOCSA-N	304.302	2.430	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nc[nH]n1	96490147	QOCWPXKNGXAGDN-ZDUSSCGKSA-N	315.333	2.389	5	40	DEBB	
O=[N+]([O-])c1cccc2c1nnn2C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2	100126075	YJHYNMFMFAOKRK-YXEONTRPSA-N	314.345	2.380	5	40	DEBB	
O=C(O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	3884717	CXOGYGMKNVZTHS-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
CC(C)CSCCCNC(=O)c1ccc([N+](=O)[O-])c(N)n1	96003990	HCTCVNJHTWLXQH-UHFFFAOYSA-N	312.395	2.081	5	40	DEBB	
CCNC(=O)C1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc23)C1	97083910	BMCRZDHZXYNLLP-UHFFFAOYSA-N	314.345	2.024	5	40	DEBB	
CN(c1nccs1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	97048835	YXNDNBRIPYWCHC-UHFFFAOYSA-N	313.360	2.018	5	40	DEBB	
Cn1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c2ccccc21	8994522	DPGUJUVABCSAOV-SREVYHEPSA-N	312.285	2.046	5	40	DEBB	
COC(=O)c1ccccc1CCn1cc([N+](=O)[O-])c(C)cc1=O	186631752	JQEWLUBVDMIEGI-UHFFFAOYSA-N	316.313	2.094	5	40	DEBB	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1	195536435	SBRVSJGYLZOJCI-FQOARCPFSA-N	323.374	2.077	5	40	DEBB	
O=Cc1ccc(O)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1	19075511	VJTUDYRMYKSPFV-UHFFFAOYSA-N	301.254	2.470	5	40	DEBB	
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])o1	8329973	KNFAPERNFZWXIB-HBNTYKKESA-N	324.333	2.428	5	40	DEBB	
Cn1nccc1CNc1c(Br)cncc1[N+](=O)[O-]	91428426	JBTVZRFWEWQPAL-UHFFFAOYSA-N	312.127	2.098	5	40	DEBB	
Cc1cc(N(C)CC(=O)NC2CC2)c2cc([N+](=O)[O-])ccc2n1	97083764	ICQQTXWMGRUJPO-UHFFFAOYSA-N	314.345	2.166	5	40	DEBB	
O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[C@@H]1O	96461589	VHMLKCLFZIRWKJ-ZFWWWQNUSA-N	306.362	2.195	5	40	DEBB	
Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	482276	XKPXXDFEIFKZOK-UHFFFAOYSA-N	300.270	2.217	5	40	DEBB	
Cc1nn(C)c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1[N+](=O)[O-]	102596338	YDFMWYMVTGEARZ-QTKMDUPCSA-N	306.366	2.191	5	40	DEBB	
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1CCc2ccccc21	8428684	ZRHYEKZUPPZVDB-LLVKDONJSA-N	313.313	2.346	5	40	DEBB	
COc1ccc(OCCn2ccc(C)cc2=O)c([N+](=O)[O-])c1	97082511	RFHQAXJFRGIFQK-UHFFFAOYSA-N	304.302	2.153	5	40	DEBB	
CN(CCn1cccc([N+](=O)[O-])c1=O)Cc1ccc(F)cc1	97377151	MDSAPKMZLCIEGI-UHFFFAOYSA-N	305.309	2.028	5	40	DEBB	
C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccco1	17282478	OGAOORAXQNOARF-QMMMGPOBSA-N	311.319	2.008	5	40	DEBB	
O=C(C[S@@](=O)Cc1cccc([N+](=O)[O-])c1)NC1CCCCC1	32801282	XUQVLRRWPZILIZ-JOCHJYFZSA-N	324.402	2.292	5	40	DEBB	
O=[N+]([O-])c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1	79033971	WLSHPXXCDBYQNM-UHFFFAOYSA-N	303.299	2.182	5	40	DEBB	
COC(=O)c1cc(Cl)c(Sc2ncn[nH]2)c([N+](=O)[O-])c1	70462486	GDXXBWCPPOYKAL-UHFFFAOYSA-N	314.710	2.304	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c1	95438793	ZAMHKMHHAIYOMN-GDBMZVCRSA-N	317.345	2.246	5	40	DEBB	
O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc([N+](=O)[O-])o1	8190052	KXFBRPDFRSUMHL-UHFFFAOYSA-N	315.285	2.332	5	40	DEBB	
O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	169683180	KQWIHAFWGICYBX-PLJUSGQGSA-N	310.309	2.152	5	40	DEBB	
Cc1cc(C)cc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])c1	4248339	RKLCRNYOBNDALW-UHFFFAOYSA-N	302.286	2.428	5	40	DEBB	
C[N+]12CCC(CC1)[C@H](OCCCNC(=O)c1ccccc1)C2	2329215	RFCKZYJQEZHYST-RYZJOYRSSA-O	303.426	2.062	5	40	DEBB	
C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	3312318	IDZAKSMNDYVMSB-UWVGGRQHSA-N	310.306	2.040	5	40	DEBB	
COc1ccc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-]	69592010	KMORKTHLQSSIQV-NSHDSACASA-N	323.393	2.338	5	40	DEBB	
CC(=O)N1CC[C@H](CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)C1	92100735	BYZRGWRCXWSMEP-OAHLLOKOSA-N	305.378	2.203	5	40	DEBB	
C[C@@H]1CC[C@@H]2[C@H](C[N+](C)(C)C)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@H]13	229592057	SNGWWISTWVXYJT-JWRZGSRUSA-N	308.442	2.218	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO	101193807	WLVCROZIRFJPAG-NUZBWSBOSA-N	305.334	2.123	5	40	DEBB	
Cc1noc([C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n1	54661553	PMNKZYUMBZKKMY-NSHDSACASA-N	316.317	2.306	5	40	DEBB	
CN1C[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565629	LPFQBRLLIVANGO-SKDZVZGDSA-N	323.352	2.209	5	40	DEBB	
COc1cc(NC[C@H](C)N2CCOC[C@H]2C)ccc1[N+](=O)[O-]	78252629	RXVFZBXBBXPFKQ-NWDGAFQWSA-N	309.366	2.125	5	40	DEBB	
COc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])c(C)n1	96496682	UKJCFPNIHLTRFG-UHFFFAOYSA-N	304.306	2.137	5	40	DEBB	
Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]	149977839	DUVNYIXNOISKEC-UHFFFAOYSA-N	322.365	2.355	5	40	DEBB	
Cc1ccc(OCC(=O)Nc2cccc(F)c2)c([N+](=O)[O-])n1	2625511	IYMOQFWOYYKNMM-UHFFFAOYSA-N	305.265	2.455	5	40	DEBB	
COc1cc(CCNC(=O)C2CCCC2)c([N+](=O)[O-])cc1OC	8116766	LFIZMBPJJFBYPL-UHFFFAOYSA-N	322.361	2.461	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1-n1cncn1	24999840	NQVQRMIMVQSLMD-UHFFFAOYSA-N	323.312	2.357	5	40	DEBB	
CC1=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@H]2C1	6050490	BMSHSEAZTNOHBB-QWRGUYRKSA-N	302.286	2.146	5	40	DEBB	
NC(=O)c1ccc(N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1	5930229	UOOHUNGQTJPTRM-VIFPVBQESA-N	317.267	2.472	5	40	DEBB	
COC(=O)c1[nH]c(C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-]	71890918	BSSSTFYJPWATGN-UHFFFAOYSA-N	317.301	2.199	5	40	DEBB	
Cc1sc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-]	84028515	OTTCPPZKGDNYDN-OCCSQVGLSA-N	318.354	2.353	5	40	DEBB	
CSC[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	78932660	GWYVWFYIBYVVHN-LBPRGKRZSA-N	323.418	2.243	5	40	DEBB	
O=C(NC1CC1)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1	96361328	ZCOXYAUTEUWRBL-UHFFFAOYSA-N	312.329	2.494	5	40	DEBB	
CCCc1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)s1	148471	OGWMMKAOWNTHSD-UHFFFAOYSA-N	322.346	2.416	5	40	DEBB	
Cc1nn(-c2[nH]nc(C)c2[N+](=O)[O-])c(C)c1Br	1507348	SVMNRBMGFXHMCV-UHFFFAOYSA-N	300.116	2.191	5	40	DEBB	
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@H](C)C1	22228016	NELWIEWNKRGBRE-UTUOFQBUSA-N	307.350	2.031	5	40	DEBB	
Cn1c(CNC(=O)Cc2ccccc2[N+](=O)[O-])nc2ccccc21	9378266	JPCZXMAHKDWSMW-UHFFFAOYSA-N	324.340	2.340	5	40	DEBB	
Cc1c(NS(=O)(=O)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-]	95447382	IVGZIDUOCOQEKZ-UHFFFAOYSA-N	324.362	2.481	5	40	DEBB	
CCS[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	96456062	HDOWUJADSUTSJP-UWVGGRQHSA-N	312.395	2.420	5	40	DEBB	
O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccco1	11613115	BOQHIIKYTXRYSB-UHFFFAOYSA-N	313.269	2.053	5	40	DEBB	
O=Cc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	295114	VRVILQPCRKFUAU-UHFFFAOYSA-N	300.270	2.425	5	40	DEBB	
COc1ccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1	9662397	HVHKIEGXJLNITI-UHFFFAOYSA-N	317.301	2.324	5	40	DEBB	
CN(CCc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1O	97109053	WROQXUBBALGLDR-UHFFFAOYSA-N	301.302	2.010	5	40	DEBB	
C[C@@H]1CCCC[C@@H]1n1ccc2nc3ccn(N)c(=O)c3cc2c1=O	40398612	MNVVLMDRNYRTLT-BZNIZROVSA-N	324.384	2.176	5	40	DEBB	
O=[N+]([O-])c1cc(I)c2cccnc2c1O	1598068	VHQJPUCOZPIQKO-UHFFFAOYSA-N	316.054	2.453	5	40	DEBB	
O=C(NCCCN1CCCC1)c1cc([N+](=O)[O-])ccc1Cl	10450021	YVLCPFMWHDFIQE-UHFFFAOYSA-N	311.769	2.464	5	40	DEBB	
Cc1c(CN2CCN(c3ncccn3)CC2)cccc1[N+](=O)[O-]	51205570	WVZJGERFSKMFIO-UHFFFAOYSA-N	313.361	2.015	5	40	DEBB	
O=[N+]([O-])c1ccccc1OCCSc1nc2ncccn2n1	48365188	VWGIRHMBUJCHFR-UHFFFAOYSA-N	317.330	2.204	5	40	DEBB	
CCN(Cc1ccncc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	5322226	HGYGCUYGGKPMNP-UHFFFAOYSA-N	321.358	2.201	5	40	DEBB	
COc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1	5361878	VHFJMENKQBKVCK-UHFFFAOYSA-N	322.342	2.082	5	40	DEBB	
C[C@H](NC(=O)CCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@H]2CC[C@H]1C2	102596323	OORRNYREZRRNPB-CYDGBPFRSA-N	306.366	2.122	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O	100184459	VHKRHDANWAQKGM-PKJRCAFQSA-N	324.336	2.461	5	40	DEBB	
COC(=O)CCCN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	56653057	XVVJZRXRYDEIHU-UHFFFAOYSA-N	319.317	2.101	5	40	DEBB	
NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	57127427	HNMYJUOTIAZDNX-QMMMGPOBSA-N	317.267	2.315	5	40	DEBB	
O=C(CSc1nncs1)Nc1ccc(F)cc1[N+](=O)[O-]	5054504	SFLIOUDVCKGGNH-UHFFFAOYSA-N	314.323	2.316	5	40	DEBB	
O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccccc1[N+](=O)[O-]	95389782	JPUKZVUQDFGOKE-LLVKDONJSA-N	316.317	2.080	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)c1	95438789	JRXJDWXYGFVQSP-GFCCVEGCSA-N	315.251	2.414	5	40	DEBB	
Cn1cc(-c2cc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)on2)cn1	195054695	CRFWSPRIOKVYDQ-UHFFFAOYSA-N	314.305	2.106	5	40	DEBB	
CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1	10328243	FGXWJJZGAICXDR-ZDUSSCGKSA-N	303.318	2.221	5	40	DEBB	
NC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1	10075976	XCJKWWJJPPZMBJ-NSHDSACASA-N	324.289	2.179	5	40	DEBB	
COc1ccc(OCC(=O)N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1	5051403	OVEQZVMUFWYUES-RYUDHWBXSA-N	322.361	2.487	5	40	DEBB	
CN1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1	5156857	XXEQACXVWIOTPR-UHFFFAOYSA-N	304.375	2.470	5	40	DEBB	
COc1cc(F)cc2sc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])nc12	69975606	NVSBFDIPJVONOB-BQBZGAKWSA-N	311.294	2.048	5	40	DEBB	
CCNC(=O)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1	97037079	YDLANAMXYKEWPW-UHFFFAOYSA-N	300.318	2.205	5	40	DEBB	
Cc1occc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	188464937	QCJSAMSLUSQNIJ-UHFFFAOYSA-N	302.286	2.400	5	40	DEBB	
Cc1c(NC(=O)NCc2nc(C3CC3)no2)cccc1[N+](=O)[O-]	47346136	GLRHDGAFDFPUPF-UHFFFAOYSA-N	317.305	2.485	5	40	DEBB	
O=[N+]([O-])c1ccccc1OCCSc1nnnn1C1CC1	48344290	JHWBISZPWLKCAI-UHFFFAOYSA-N	307.335	2.087	5	40	DEBB	
O=C(NCCOc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-]	89811870	YLAVIRWEVIQMSL-UHFFFAOYSA-N	321.720	2.452	5	40	DEBB	
C[C@]1(CCC(=O)OCCc2ccccc2[N+](=O)[O-])CCC(=O)N1	97109225	UBLXICUSDPXIDY-MRXNPFEDSA-N	320.345	2.129	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCn1cccn1	97145783	ZFWHBQXNDNDCGE-UHFFFAOYSA-N	303.322	2.230	5	40	DEBB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\SC(=O)N(C)C1=O	408807038	BVKBBORJHUYYPQ-WZUFQYTHSA-N	324.314	2.278	5	40	DEBB	
O=C(NCc1ccco1)[C@H]1CCCN1c1ccccc1[N+](=O)[O-]	71904097	HTLRKDLFXQATHE-OAHLLOKOSA-N	315.329	2.473	5	40	DEBB	
COc1ccccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1	19875071	SVTHWAFRWPIMII-UHFFFAOYSA-N	314.345	2.325	5	40	DEBB	
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1Nc1cccc(F)c1	4971272	SMBFWNXGBWZMQP-UHFFFAOYSA-N	315.264	2.297	5	40	DEBB	
C[C@H](C[S@@](C)=O)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	135758705	ADYOCNATSUHJKW-SQFXPLBJSA-N	318.782	2.087	5	40	DEBB	
CNC(=O)[C@H](Cc1ccccc1)Sc1ccc([N+](=O)[O-])cn1	97371717	VBRPVJPCVWZSOT-ZDUSSCGKSA-N	317.370	2.439	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1CCC1	6638971	VOWOQFMMIHTTKB-SECBINFHSA-N	322.317	2.274	5	40	DEBB	
COc1cc(CNC(=O)c2csc([N+](=O)[O-])c2)ccc1O	52639093	ULTNURFFSQOLFM-UHFFFAOYSA-N	308.315	2.301	5	40	DEBB	
O=C(O)c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	8345629	LBAGBESBRFGYMZ-UHFFFAOYSA-N	323.282	2.061	5	40	DEBB	
COc1cc(C(=O)Nc2ccccn2)c([N+](=O)[O-])cc1OC	5570061	UNFKZYZRYBTFIB-UHFFFAOYSA-N	303.274	2.259	5	40	DEBB	
Cc1cc(=O)n2nc(Oc3ccccc3[N+](=O)[O-])sc2n1	36394910	MASBSHPYPWSHEC-UHFFFAOYSA-N	304.287	2.160	5	40	DEBB	
O=C(COc1cccc([N+](=O)[O-])c1)NCCC[C@@H]1CCC[C@@H]1O	89780692	UCFLLCYRKYGMFO-WFASDCNBSA-N	322.361	2.031	5	40	DEBB	
CCS(=O)(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1	52467300	RZAGGRIOHPUXGZ-UHFFFAOYSA-N	322.346	2.495	5	40	DEBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O	5673984	OQSWETMHRSXTCJ-XCCSTKFXSA-N	317.297	2.161	5	40	DEBB	
Cc1c(C(=O)NC(=S)NCc2ccco2)cccc1[N+](=O)[O-]	9140892	COYCSTWANCHGMP-UHFFFAOYSA-N	319.342	2.301	5	40	DEBB	
O=C([C@@H]1CCCN1c1ccccc1[N+](=O)[O-])N1CCSCC1	71904196	QOGOREAXYSTDHV-AWEZNQCLSA-N	321.402	2.139	5	40	DEBB	
Nc1nonc1OCCCNc1ccc([N+](=O)[O-])cc1Cl	59384021	PHNPFZKICRATOS-UHFFFAOYSA-N	313.701	2.094	5	40	DEBB	
CN(CC(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cn1	12938322	RUIZRYXMGPHULM-UHFFFAOYSA-N	304.281	2.204	5	40	DEBB	
COC(=O)c1cc(N2CCN3CCCC[C@@H]3C2)ccc1[N+](=O)[O-]	96405625	AYFJUUBVOJQFJR-CYBMUJFWSA-N	319.361	2.056	5	40	DEBB	
COc1ccccc1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	53267028	FDPQPTKROXMNTN-UHFFFAOYSA-N	315.329	2.339	5	40	DEBB	
O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@@H]1CCCO1	240206	MTQXGIZWLFUPTA-JSGCOSHPSA-N	308.359	2.348	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1)C31CC1	355020	AVTTZUXWWZWWCH-KPWCQOOUSA-N	310.309	2.296	5	40	DEBB	
Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1	3412773	JDTMCEMDODHMKK-UHFFFAOYSA-N	304.258	2.292	5	40	DEBB	
Cc1occc1CN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	57010912	UKLAAKNMOKAIIS-UHFFFAOYSA-N	324.358	2.458	5	40	DEBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N(CCO)CC(F)F	193929233	XVZWGICJADGDOO-UHFFFAOYSA-N	323.683	2.340	5	40	DEBB	
CCN1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1	96455220	ZMZAAGLEVWQFKX-ZDUSSCGKSA-N	320.393	2.311	5	40	DEBB	
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(N2CCCC2)cc1	12733983	YJEOILVHDSHSKE-UHFFFAOYSA-N	315.333	2.030	5	40	DEBB	
CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2)C1=O	71911573	PHIZWSJFYRFZML-AWEZNQCLSA-N	312.329	2.232	5	40	DEBB	
CNc1ccc(CN2CCN(CC(F)F)CC2)cc1[N+](=O)[O-]	92586584	QRDUWQAMANHGOZ-UHFFFAOYSA-N	314.336	2.019	5	40	DEBB	
NC(=O)[C@H]1CCCCC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-]	96489038	RDWCJJQVVIHWNG-UWVGGRQHSA-N	312.757	2.489	5	40	DEBB	
O=[N+]([O-])c1cc(F)ccc1N1CCCN(c2ncccn2)CC1	69516180	LBUMRGHZMIUOIR-UHFFFAOYSA-N	317.324	2.241	5	40	DEBB	
C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5747422	KFKLCIAIOLZTDL-SNVBAGLBSA-N	307.306	2.447	5	40	DEBB	
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1	14257555	DZAGIKUKAMPLQY-UHFFFAOYSA-N	316.342	2.226	5	40	DEBB	
CCOC(=O)C1=C(C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C	340028	FKYBSPIWAHIHNV-LBPRGKRZSA-N	319.317	2.128	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c([N+](=O)[O-])c1	100179690	BXVIFRVMCZKCFS-KXBVSSMTSA-N	324.336	2.461	5	40	DEBB	
C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	3330036	AFUKJCFGWHGPQK-JTQLQIEISA-N	319.342	2.348	5	40	DEBB	
O=C(Nc1ccn(CC(F)F)n1)c1ccc(O)c([N+](=O)[O-])c1	97080115	URAYVBNJFXLQQN-UHFFFAOYSA-N	312.232	2.014	5	40	DEBB	
CCc1nc(CC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cs1	96475317	VLRRJFAUSCQIKX-UHFFFAOYSA-N	306.347	2.498	5	40	DEBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1OC(F)(F)F	604221775	YJHRJEITKKBXGW-UHFFFAOYSA-N	321.179	2.490	5	40	DEBB	
CCN(Cc1ccc2c(c1)OCCO2)c1c([N+](=O)[O-])ncn1C	44406441	ZADXJRUGGAIRMN-UHFFFAOYSA-N	318.333	2.126	5	40	DEBB	
CC[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O)N(C)C	95939391	JOQARDPBHZHMDD-VIFPVBQESA-N	301.730	2.233	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	37530356	OBFZHJUTVODORB-MCIONIFRSA-N	308.378	2.312	5	40	DEBB	
C/C=C/COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	78984632	WSEPMUNRUPZVKI-VMZHVLLKSA-N	324.358	2.380	5	40	DEBB	
Cc1cc(NC(=O)NCC2CCN(C)CC2)ccc1[N+](=O)[O-]	97163066	GBCHTSUOEWXZRH-UHFFFAOYSA-N	306.366	2.367	5	40	DEBB	
Cc1nn(C(C)(C)C)c(=O)n1Cc1c(F)cccc1[N+](=O)[O-]	95997486	BQPUADMVOBIPHI-UHFFFAOYSA-N	308.313	2.204	5	40	DEBB	
CO[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1	95991458	GOKBTUQPXIWENQ-ZCFIWIBFSA-N	303.112	2.331	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O	169682331	VHKRHDANWAQKGM-DTHCGKTHSA-N	324.336	2.461	5	40	DEBB	
Cc1nonc1OCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	16265819	CRXLMIBPEAWXCP-UHFFFAOYSA-N	323.265	2.075	5	40	DEBB	
Cc1cc(COC(=O)CCNc2ccccc2[N+](=O)[O-])on1	32893504	HDGOLDRVGVOLAL-UHFFFAOYSA-N	305.290	2.437	5	40	DEBB	
CN(C)C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	34892029	FCKBNRMKHZYUJQ-DZGCQCFKSA-N	303.362	2.214	5	40	DEBB	
Cc1cc(NC(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])no1	13984391	HKFFICUQIHHFGO-MRVPVSSYSA-N	309.253	2.436	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCCCC1	10327866	HVRMVRCWOGVWLY-UHFFFAOYSA-N	305.334	2.291	5	40	DEBB	
O=[N+]([O-])C[C@@H](CS(=O)(=O)Oc1ccccc1)c1ccccc1	3200216	GMCKUTGITJZYSV-AWEZNQCLSA-N	321.354	2.456	5	40	DEBB	
Cc1cc(C)n(-c2ccccc2NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])n1	44490609	OJUZQZGRZAEKIZ-SMDDNHRTSA-N	300.318	2.093	5	40	DEBB	
COc1ccc(C(=O)Nn2cnc3ccccc32)cc1[N+](=O)[O-]	12859660	DKNYXFWNNAHWCU-UHFFFAOYSA-N	312.285	2.337	5	40	DEBB	
O=c1[nH]c(Cc2ccc([N+](=O)[O-])cn2)nc2ccc(Cl)cc12	96500005	CYOXXYMYTGTNJH-UHFFFAOYSA-N	316.704	2.471	5	40	DEBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1[N+](=O)[O-]	4616660	RPTJUHWYNDEZNC-UHFFFAOYSA-N	313.225	2.304	5	40	DEBB	
O=C(Cc1ccccc1O)N1CCc2ccc([N+](=O)[O-])cc2C1	84502371	ZCYFCRRVGIRNPJ-UHFFFAOYSA-N	312.325	2.428	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCc1cccs1	10327795	XGDGRGVNDFSOOH-UHFFFAOYSA-N	319.342	2.220	5	40	DEBB	
CC1(C)CC(=O)C(C(=O)Cc2ccccc2[N+](=O)[O-])C(=O)C1	100705796	BUTJQHLFOBATMI-UHFFFAOYSA-N	303.314	2.281	5	40	DEBB	
CN(Cc1cnn(C)c1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	2765825	WYBDHDZWFUVTRF-VMPITWQZSA-N	300.318	2.000	5	40	DEBB	
Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1	24997852	SAQUDIBVXQRKAE-CYBMUJFWSA-N	300.318	2.136	5	40	DEBB	
Cc1c(C(=O)NC[C@H](C)Cn2ccnc2C)cccc1[N+](=O)[O-]	47937897	JPBZNTIXDCKTHV-NSHDSACASA-N	316.361	2.474	5	40	DEBB	
Cc1nn(CC(=O)Nc2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-]	10491351	IASNICGWRGQEMW-UHFFFAOYSA-N	310.260	2.325	5	40	DEBB	
Nc1nc(NCc2ccco2)nc(N2CCCCC2)c1[N+](=O)[O-]	5025605	QZRPYVVFPOXUKI-UHFFFAOYSA-N	318.337	2.162	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C1	13757655	KGQIBBKRMTULNN-PHIMTYICSA-N	320.397	2.050	5	40	DEBB	
Cn1ccc2ccn(Cc3c(F)cccc3[N+](=O)[O-])c(=O)c21	78919912	HBTWFKSVDROTRD-UHFFFAOYSA-N	301.277	2.436	5	40	DEBB	
O=[N+]([O-])c1cccnc1N1CCC[C@H](c2nnc3ccccn23)C1	22356618	OPZLRIKARJZMRA-LBPRGKRZSA-N	324.344	2.417	5	40	DEBB	
CC[C@@](C)(CO)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	95945504	IWMYPUQJRFIYQL-CYBMUJFWSA-N	300.742	2.387	5	40	DEBB	
CC(C)Oc1cccc([C@H](O)CNc2c([N+](=O)[O-])ncn2C)c1	96408683	OTYVIEWJGAIECT-CYBMUJFWSA-N	320.349	2.261	5	40	DEBB	
N[C@H](c1ccccc1)c1n[nH]c(-c2ccc(O)c([N+](=O)[O-])c2)n1	95533479	AQLKUZJDVJBJEN-CYBMUJFWSA-N	311.301	2.134	5	40	DEBB	
O=C(O)[C@H]1CC=CC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1	5769449	BXRUWSGGGSGTKS-STQMWFEESA-N	305.286	2.305	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1O	343323	SSJMHOCZEAAHQU-UHFFFAOYSA-N	310.697	2.097	5	40	DEBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2ccccc21	333736	FVZCYSLFLGOGBS-UHFFFAOYSA-N	304.327	2.346	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)NCCc2ccccc2)c1	22526490	OCMJLCWGLBBKEP-UHFFFAOYSA-N	320.370	2.257	5	40	DEBB	
O=C(NO[C@H]1CCCCO1)c1ccc(Cl)cc1[N+](=O)[O-]	72058646	PCCKVOCCPPFGCC-NSHDSACASA-N	300.698	2.436	5	40	DEBB	
C[C@H](N[C@H](C)CCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1	95969384	MRVXSYYPFRAPTO-MNOVXSKESA-N	300.380	2.069	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nnc(CO)n1C	95994664	BQHAOVNRTGNADP-SECBINFHSA-N	308.363	2.377	5	40	DEBB	
CC(=O)Nc1c(Br)ccc(C(=O)O)c1[N+](=O)[O-]	30835592	SGSQTSDAGZLNPG-UHFFFAOYSA-N	303.068	2.014	5	40	DEBB	
O=[N+]([O-])c1ccc(CS(=O)(=O)c2nc3ccccc3[nH]2)cc1	195010117	CLPTYLMHQMQNCY-UHFFFAOYSA-N	317.326	2.445	5	40	DEBB	
CC[C@@](Cl)(C(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96518389	YPKLEPPAYVHZDT-NSHDSACASA-N	305.739	2.167	5	40	DEBB	
C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	6999842	GCTYVFNVNFWXQG-NSHDSACASA-N	321.358	2.162	5	40	DEBB	
O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1ccccc1[N+](=O)[O-]	101524346	QNQSWEBDKKSBPP-SDDRHHMPSA-N	316.313	2.289	5	40	DEBB	
O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccn3)CC2)cc1	2735204	FYFFBXQBLTYKMA-UHFFFAOYSA-N	312.373	2.308	5	40	DEBB	
COc1cc(/C=C2\SC(=O)N(C)C2=O)c([N+](=O)[O-])cc1OC	408820422	WAZJCEDSBBCNKI-WZUFQYTHSA-N	324.314	2.278	5	40	DEBB	
C[C@@H](C[S@@](C)=O)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	97107411	JLUHKUJSODMWKN-JKNYTWMOSA-N	319.770	2.137	5	40	DEBB	
O=C1NC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21	13534178	LRALCSUVMPPIFF-AWEZNQCLSA-N	311.297	2.061	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N2CCCC2)C1	35835532	HTFHJRLPHRWFJR-HNNXBMFYSA-N	303.362	2.295	5	40	DEBB	
O=[N+]([O-])c1cnn(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1	65515086	YBMHNZUFHHPPHC-ZDUSSCGKSA-N	316.317	2.315	5	40	DEBB	
O=C(Cn1cc(Cl)cn1)N1CCc2cc([N+](=O)[O-])ccc21	72291247	UMXGWIYRYLIZNU-UHFFFAOYSA-N	306.709	2.034	5	40	DEBB	
CCOC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1	5458151	BRQCMYYDVXYFBO-UHFFFAOYSA-N	320.345	2.319	5	40	DEBB	
O=C(OCc1ccoc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	52747320	FFADLNOCKUFBAS-UHFFFAOYSA-N	314.257	2.126	5	40	DEBB	
O=C(NC[C@H](CO)Cc1ccco1)Nc1cccc([N+](=O)[O-])c1	24928976	YUPPSKZMNLBMMI-LLVKDONJSA-N	319.317	2.161	5	40	DEBB	
COCCn1c(C(C)C)nc2oc3ccccc3c(=O)c2c1=O	2219318	GDOUOSMRVIQMRB-UHFFFAOYSA-N	314.341	2.273	5	40	DEBB	
COCc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1	40510101	PWJQLYXKQKAMFD-UHFFFAOYSA-N	315.329	2.375	5	40	DEBB	
O=[N+]([O-])c1ccccc1OCCn1nnc(-c2ccccc2)n1	47369304	HKNNLIZVYWGTGE-UHFFFAOYSA-N	311.301	2.327	5	40	DEBB	
O=C(OCc1ccccc1)c1cc([N+](=O)[O-])ccc1NCCO	4893793	BMKJYVRUKVREAF-UHFFFAOYSA-N	316.313	2.356	5	40	DEBB	
COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN(C)C2)c1	96007374	LLSQLTNLGFHIGN-NSHDSACASA-N	307.350	2.135	5	40	DEBB	
C[C@H]1CN=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S1	84715293	LMIIOBNHYFJLCV-NSHDSACASA-N	306.391	2.208	5	40	DEBB	
COC(=O)c1cnc(N(C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1	521395299	YOFDHJMKWBKGEH-JTQLQIEISA-N	316.317	2.369	5	40	DEBB	
CC1(C)CC(=O)C(C(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)C1	104095704	CGFSUIHQAKRTRD-UHFFFAOYSA-N	304.302	2.108	5	40	DEBB	
O=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-]	63827674	JPUKZVUQDFGOKE-NSHDSACASA-N	316.317	2.080	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1C2	250924019	RKCRRAFXAUFACM-GVXVVHGQSA-N	310.375	2.370	5	40	DEBB	
O=[N+]([O-])c1ccccc1OCCN(C[C@H]1CCOC1)C1CC1	48368926	NTWLTWKACWOUQN-CYBMUJFWSA-N	306.362	2.475	5	40	DEBB	
CCS[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	96456066	HDOWUJADSUTSJP-ZJUUUORDSA-N	312.395	2.420	5	40	DEBB	
Cc1nc(C)c([C@H](C)N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)s1	106710239	DPBPNMVGCNZKQK-VIFPVBQESA-N	323.378	2.084	5	40	DEBB	
C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccco1	17282474	OGAOORAXQNOARF-MRVPVSSYSA-N	311.319	2.008	5	40	DEBB	
COc1ccc(OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1	16223849	OVEQZVMUFWYUES-TXEJJXNPSA-N	322.361	2.487	5	40	DEBB	
O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	100860214	GSDBCHAEOYYDKA-PNZRWIHMSA-N	302.286	2.056	5	40	DEBB	
Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c(=O)[nH]1	97080337	PEFSEFDOENJLEK-UHFFFAOYSA-N	302.286	2.257	5	40	DEBB	
CN1CCC(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	120223178	YKTIGRKADQINRQ-AATRIKPKSA-N	317.389	2.456	5	40	DEBB	
O=c1oc(=O)c2cc([N+](=O)[O-])ccc2c2ccc([N+](=O)[O-])cc12	1717047	KXHXXQJKNDLHHC-UHFFFAOYSA-N	314.209	2.123	5	40	DEBB	
Cc1cc(NC(=O)NCC[C@H](C)[S@@](C)=O)ccc1[N+](=O)[O-]	97096005	DNJMFDAHWMYZOE-CWKPULSASA-N	313.379	2.182	5	40	DEBB	
O=c1oc2cc([N+](=O)[O-])ccc2n1CCO[C@@H]1CCCCO1	225638794	PNXMKEFWEVFHMH-CYBMUJFWSA-N	308.290	2.046	5	40	DEBB	
Cc1cc2cc([N+](=O)[O-])cnc2n1S(=O)(=O)c1ccccc1	95936889	NLRMHZUUMBUMED-UHFFFAOYSA-N	317.326	2.490	5	40	DEBB	
Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(Cl)cn1	97235382	QBEDOHAEYNXDEK-UHFFFAOYSA-N	306.709	2.155	5	40	DEBB	
O=C(CC1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	40497163	IZZMEVLEXDLDTN-UHFFFAOYSA-N	318.377	2.219	5	40	DEBB	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CCCC1	2512882	YGFFXKGRFIPRLZ-UHFFFAOYSA-N	304.755	2.469	5	40	DEBB	
O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1	255428	JDVFBJYXIRLIDY-UHFFFAOYSA-N	317.276	2.102	5	40	DEBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN2CCCC[C@H]12	47226793	YXAKSGRPDJHZLU-XLBHYRNJSA-N	315.373	2.351	5	40	DEBB	
CC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1	65623955	RNLWLEFCQHCBHL-UHFFFAOYSA-N	321.377	2.046	5	40	DEBB	
COc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1[N+](=O)[O-]	97082816	WBLASYAUJMZWID-UHFFFAOYSA-N	318.333	2.135	5	40	DEBB	
CC(C)c1nncn1CCNc1nc2sccn2c1[N+](=O)[O-]	78968127	SWIIBFLLPXPQHG-UHFFFAOYSA-N	321.366	2.131	5	40	DEBB	
O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	60510124	XXEUORHXHOMNOK-FQPOAREZSA-N	302.286	2.056	5	40	DEBB	
CC(C)(C)CN(CC(F)(F)F)C(=O)Cn1ccc([N+](=O)[O-])n1	96404107	ITJOLAITKBPWOT-UHFFFAOYSA-N	322.287	2.228	5	40	DEBB	
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1	71795777	LDQQKQKHWSZBHZ-RISCZKNCSA-N	308.334	2.142	5	40	DEBB	
O=C1COCC(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	59474450	NAJUFOQEGLOSKX-UHFFFAOYSA-N	312.281	2.152	5	40	DEBB	
CC(C)CCOC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	52744440	CMPQOEFQBUCWQK-UHFFFAOYSA-N	304.306	2.378	5	40	DEBB	
Nc1nc(NCc2ccccc2)nc(N2CCCC2)c1[N+](=O)[O-]	5120148	HGFWXMDPMIIOMH-UHFFFAOYSA-N	314.349	2.179	5	40	DEBB	
CC(C)CN1CC[C@]2(O)Oc3ccc([N+](=O)[O-])cc3C=C2C1	4863273	PAFPXGOUKLXZBO-INIZCTEOSA-N	304.346	2.421	5	40	DEBB	
COC(=O)c1ccoc1COC(=O)c1cccc([N+](=O)[O-])c1	24038736	VJCKHIFTWUVKDI-UHFFFAOYSA-N	305.242	2.331	5	40	DEBB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2C12CC2	101356363	FOISCOGVUGBTCW-AAVRWANBSA-N	310.309	2.296	5	40	DEBB	
O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1	301738	CQUGTZJEJQVMRF-INIZCTEOSA-N	312.281	2.008	5	40	DEBB	
Cc1cc(C)c(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)cc1C	795293	YKVWUOOASQGWMB-UHFFFAOYSA-N	309.347	2.262	5	40	DEBB	
Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1	24997849	SAQUDIBVXQRKAE-ZDUSSCGKSA-N	300.318	2.136	5	40	DEBB	
C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1cccc([N+](=O)[O-])c1	3250577	QRRUZTUFKYWWHI-SNVBAGLBSA-N	315.285	2.174	5	40	DEBB	
Cc1nn(CC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1[N+](=O)[O-]	100562707	ONTOEUISULMAAH-ICGCDAGXSA-N	320.393	2.349	5	40	DEBB	
O=C(C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	12523058	UCPSLJNKYAGDAN-UHFFFAOYSA-N	309.753	2.307	5	40	DEBB	
O=C(O)COc1c(Cl)cc(Br)cc1[N+](=O)[O-]	226241309	GMSUDFIYRDVDSJ-UHFFFAOYSA-N	310.487	2.474	5	40	DEBB	
Nc1nc2c(Cl)cc([N+](=O)[O-])c(N3CCOCC3)c2s1	45891385	GWWWYXPDOYWRNJ-UHFFFAOYSA-N	314.754	2.277	5	40	DEBB	
O=C(NCCCN1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	7924052	BMSFQGCWBHTITP-UHFFFAOYSA-N	311.769	2.464	5	40	DEBB	
CCn1cc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1	2767471	VYRHYOMOVQUIGJ-UHFFFAOYSA-N	308.725	2.395	5	40	DEBB	
COC(=O)CCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-]	9337813	PXRWLRYGANXKOY-UHFFFAOYSA-N	323.349	2.098	5	40	DEBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1	6337516	ZZSAUZHLCXMEKX-UHFFFAOYSA-N	319.361	2.164	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cn1	69675292	YBCIIRASYFBEKZ-UHFFFAOYSA-N	311.294	2.238	5	40	DEBB	
C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)Oc1nonc1N	45206860	QBJJZLNSZKFGAT-LURJTMIESA-N	313.701	2.093	5	40	DEBB	
CCS(=O)(=O)[C@](C)(Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1	96520418	GQRFHNPRJYWKOG-QWRGUYRKSA-N	307.755	2.018	5	40	DEBB	
CN(C[C@@H](O)COCc1ccccc1)c1ccncc1[N+](=O)[O-]	79002649	FIBDVMKSSCSISU-CQSZACIVSA-N	317.345	2.004	5	40	DEBB	
C[C@@H]1CN(C[C@@H]2CCCN2c2ncccc2[N+](=O)[O-])C[C@@H](C)O1	160480680	DOKPVWFTFVGPBY-MCIONIFRSA-N	320.393	2.068	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nccn1C	79063479	ZZMQQWXGKVHGHB-UHFFFAOYSA-N	303.322	2.267	5	40	DEBB	
Cc1nn(C(C)(C)C)c(=O)n1CCOc1ccccc1[N+](=O)[O-]	97235232	ZQRNBFRDEUAZJP-UHFFFAOYSA-N	320.349	2.095	5	40	DEBB	
CCOc1cccc(N2CCC[C@@H](NC(C)=O)C2)c1[N+](=O)[O-]	96502654	MKSMGNQKULXGAD-GFCCVEGCSA-N	307.350	2.098	5	40	DEBB	
Cc1nn(CCCC(=O)Nc2cccnc2)c(C)c1[N+](=O)[O-]	3896269	QQRQEFAMCSQAQC-UHFFFAOYSA-N	303.322	2.222	5	40	DEBB	
CCc1sc(-c2nnc(Cn3cnc([N+](=O)[O-])n3)o2)cc1C	53835503	NATVEXWMOBYZFW-UHFFFAOYSA-N	320.334	2.217	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1cc(C)on1	8328961	OAHLWCFCJJNMGW-SECBINFHSA-N	321.289	2.306	5	40	DEBB	
O=C(OCC(=O)N1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-]	5505916	AHGIDRUZDJWBLF-UHFFFAOYSA-N	312.709	2.027	5	40	DEBB	
CCCN(CC1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1	6881723	KZOHYFARCSAXTH-HNNXBMFYSA-N	308.378	2.457	5	40	DEBB	
CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1	67800644	UBKUFTDHYMPKTI-JTQLQIEISA-N	308.338	2.093	5	40	DEBB	
COCCNc1c(F)cc([N+](=O)[O-])c(N)c1Br	95403028	DHIYYGCMGZRILH-UHFFFAOYSA-N	308.107	2.137	5	40	DEBB	
O=[N+]([O-])c1ccc(Sc2nnnn2Cc2cccs2)cn1	69949648	KLYZYRNRTLNFEN-UHFFFAOYSA-N	320.359	2.237	5	40	DEBB	
O=C(COc1cccc([N+](=O)[O-])c1)NCCC[C@H]1CCC[C@H]1O	89780695	UCFLLCYRKYGMFO-IUODEOHRSA-N	322.361	2.031	5	40	DEBB	
O=[N+]([O-])c1ccccc1Sc1nnnn1C1CCOCC1	69702491	FBQRCDXCKYZADJ-UHFFFAOYSA-N	307.335	2.084	5	40	DEBB	
O=[N+]([O-])c1ccc(Sc2ncnc3nc[nH]c23)c([N+](=O)[O-])c1	4066978	LMBQPUKTECHWGL-UHFFFAOYSA-N	318.274	2.321	5	40	DEBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)CC1	69597740	PIHNRCAOGFXKOZ-JTQLQIEISA-N	310.375	2.059	5	40	DEBB	
COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	5638064	DZEFSNPXZIFGEK-UHFFFAOYSA-N	314.345	2.325	5	40	DEBB	
O=C1[C@H](Sc2nncs2)CCN1c1cccc([N+](=O)[O-])c1	67428613	MDDQEOBLWZRIOO-SNVBAGLBSA-N	322.371	2.344	5	40	DEBB	
CC(C)N1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1	84597496	COBHUVFREXEKJR-UHFFFAOYSA-N	319.405	2.470	5	40	DEBB	
Cc1cc(O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	8257152	VUXLKQWEVXPKHK-JTQLQIEISA-N	323.349	2.295	5	40	DEBB	
O=C(Nc1cc(Cl)cc2c1OCC2)c1n[nH]cc1[N+](=O)[O-]	97162092	ISEMUCJDAOKJLF-UHFFFAOYSA-N	308.681	2.159	5	40	DEBB	
CCCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1=O	225963559	BHXHSHLSVNHMNN-UHFFFAOYSA-N	317.301	2.317	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C(C)(C)C	9064138	ZYALYIMEINLOIG-UHFFFAOYSA-N	311.363	2.463	5	40	DEBB	
Cc1cccc(C)c1OC[C@H](O)CNc1ncccc1[N+](=O)[O-]	58434933	SQNINIMHNXITSX-CYBMUJFWSA-N	317.345	2.458	5	40	DEBB	
O=C(CCNC(=O)c1ccsc1)Nc1cccc([N+](=O)[O-])c1	12977213	KINKQBFJXGSYBR-UHFFFAOYSA-N	319.342	2.415	5	40	DEBB	
O=C(NCc1ccco1)[C@@H]1CCCN1c1ccccc1[N+](=O)[O-]	71904098	HTLRKDLFXQATHE-HNNXBMFYSA-N	315.329	2.473	5	40	DEBB	
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1	7058944	GUGVVMJQGSHRPM-SNVBAGLBSA-N	307.331	2.029	5	40	DEBB	
C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1	3392650	QXXHLXZHZUJZHT-SNVBAGLBSA-N	318.285	2.222	5	40	DEBB	
CCCCN1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1=O	8269848	XYBMEMXWGDTQBW-GFCCVEGCSA-N	319.361	2.490	5	40	DEBB	
O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N1CCCCC1	69569623	DAIBITRYTZKPHP-UHFFFAOYSA-N	314.345	2.471	5	40	DEBB	
COc1cccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	224999101	GYYXKMPGXGZAJX-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
Cc1noc(C)c1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-]	97235041	YKZNJMYDQWOFIG-UHFFFAOYSA-N	318.333	2.144	5	40	DEBB	
CC(=O)Nc1cccc(Cn2cc([N+](=O)[O-])c(C)cc2=O)c1	96474495	MDCHFHQUTHMKAN-UHFFFAOYSA-N	301.302	2.072	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3ccsc3)CC2)nc1	23674432	MENAXQDFGSOIAA-UHFFFAOYSA-N	304.375	2.374	5	40	DEBB	
COC(=O)c1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])o2)cc1	30517036	JHPMQVJFWFXCBH-UHFFFAOYSA-N	318.285	2.247	5	40	DEBB	
C[C@H]1CCC[C@@H](C)N1C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	59386412	WGOZMEYSHHLAMM-AOOOYVTPSA-N	323.374	2.307	5	40	DEBB	
O=C(C[S@](=O)c1ccccc1[N+](=O)[O-])OCc1ccccc1	6182964	BFNQEWVIYPVLPG-JOCHJYFZSA-N	319.338	2.446	5	40	DEBB	
Cc1ccn(CC(=O)N[C@@H](C)c2cccs2)c(=O)c1[N+](=O)[O-]	84247987	OTGRXAABOLRQIE-JTQLQIEISA-N	321.358	2.004	5	40	DEBB	
Cc1ccc(NCCCCN2CCN(C)CC2)c([N+](=O)[O-])c1	95973713	WLWLKGAQTHRVIC-UHFFFAOYSA-N	306.410	2.343	5	40	DEBB	
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2CCC[C@H]2C1	97371904	MITCFIKAIDGRPS-HZSPNIEDSA-N	306.362	2.066	5	40	DEBB	
Cc1cc(C)nc(NNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])n1	4904121	DKOLXCGPODXZPR-UHFFFAOYSA-N	304.266	2.349	5	40	DEBB	
Cc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c(C)c1	96013452	HJZXTGXLQUTJMX-UHFFFAOYSA-N	307.331	2.407	5	40	DEBB	
C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1C[C@H](C)C[C@@H](C)C1	195530588	REATURVWTVFWNF-UTUOFQBUSA-N	307.350	2.262	5	40	DEBB	
Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]2C)cc1[N+](=O)[O-]	97097215	CPRWRPKSLAKQLF-QMMMGPOBSA-N	302.327	2.215	5	40	DEBB	
Cc1cnc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)s1	15018863	XGAKFEZWQKAECC-UHFFFAOYSA-N	310.360	2.486	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccccc1[N+](=O)[O-])C31CC1	4155656	YLYYKLJYPGBNNM-IOQCUFBNSA-N	310.309	2.296	5	40	DEBB	
O=C(O)c1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	1638578	IAEPEJKRZIOZHQ-UHFFFAOYSA-N	307.283	2.126	5	40	DEBB	
CC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2	103899497	HKFMCZVBOTVKDM-SSVGKTKLSA-N	318.437	2.466	5	40	DEBB	
COc1ccc([C@H]2C([N+](=O)[O-])=C(C)N(C)C(=O)N2C)cc1OC	1515332	JEQBSGLKPBGUDZ-AWEZNQCLSA-N	321.333	2.250	5	40	DEBB	
O=C1[C@H](n2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1	97048002	HRUADRIXNQLBOQ-CQSZACIVSA-N	300.318	2.155	5	40	DEBB	
CC(C)(C)c1nnnn1Cc1nc2cc([N+](=O)[O-])ccc2o1	95427876	NWJOGZCQXVKIIS-UHFFFAOYSA-N	302.294	2.068	5	40	DEBB	
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)O)cc2[N+](=O)[O-])C1	13079423	GCCRCENIRCAAIE-NSHDSACASA-N	322.317	2.073	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	100178299	JPHFGKSBNFSTSP-ZAQNNHEOSA-N	310.309	2.152	5	40	DEBB	
Cc1ccc(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])cc2N)cc1	4314800	IBQVHFNXTOMJPB-UHFFFAOYSA-N	321.358	2.311	5	40	DEBB	
CC[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1	97054091	HHZXISIDFPRXJI-LBPRGKRZSA-N	312.391	2.199	5	40	DEBB	
Cn1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)ccc1=O	84776427	KNIHKLHUVLDYRA-UHFFFAOYSA-N	324.296	2.094	5	40	DEBB	
CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1	96454501	ZKAPOWSTMFBAQE-CZUORRHYSA-N	306.362	2.315	5	40	DEBB	
C[C@@](O)(CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccsc1	96450381	TYCYBGBLAGXRKN-CQSZACIVSA-N	324.333	2.433	5	40	DEBB	
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccs1	14257563	OZGSJJYTBPMWCQ-UHFFFAOYSA-N	322.371	2.288	5	40	DEBB	
Cc1nc2c(N)c3nc(C)c(C(=O)O)cc3cc2cc1C(=O)O	3845543	REWVEELEXJWKEV-UHFFFAOYSA-N	311.297	2.378	5	40	DEBB	biogenic
Cc1ccc(C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-]	10220529	YTMHUZUJMHHSBF-CYBMUJFWSA-N	320.345	2.319	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC1)OCCO2	40525434	BCZPCMQQPFYYCE-UHFFFAOYSA-N	321.333	2.274	5	40	DEBB	
CO[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1	56471915	VSEUDWHTUOZQFJ-OAHLLOKOSA-N	315.329	2.295	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCCC[C@H]1C	7467805	KXFQNWKBGITBHQ-LLVKDONJSA-N	308.334	2.383	5	40	DEBB	
COc1cc(Cc2nc3ccsc3c(=O)[nH]2)ccc1[N+](=O)[O-]	83022886	HJTFBLZHEGYVCI-UHFFFAOYSA-N	317.326	2.492	5	40	DEBB	
O=C(Cn1cccn1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	97050425	LWIOFRSFMKNKKY-UHFFFAOYSA-N	314.223	2.449	5	40	DEBB	
CC(C)[C@H]1OCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1	96454499	ZKAPOWSTMFBAQE-XJKSGUPXSA-N	306.362	2.315	5	40	DEBB	
O=C(NC[C@@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1	4941402	OBLSJVIBAXFICT-CYBMUJFWSA-N	306.318	2.010	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-]	100179704	CELZKNVTSCTQFY-YGNQVGSDSA-N	324.336	2.461	5	40	DEBB	
COCCSCC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1	46169944	LVONODQIOLYIJH-LLVKDONJSA-N	312.391	2.494	5	40	DEBB	
Cc1nc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cs1	48316728	PAKMHYMUIDYVPJ-UHFFFAOYSA-N	324.337	2.054	5	40	DEBB	
O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1cccs1	8941218	BSWFMHJIDRANFJ-AWEZNQCLSA-N	318.310	2.069	5	40	DEBB	
O=C(O)COc1c(Cl)cc([N+](=O)[O-])cc1Br	226241222	GLYPSQVNQOGGGJ-UHFFFAOYSA-N	310.487	2.474	5	40	DEBB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCOCC1	5003386	AFBPXWUCOGYWBU-BSDSXHPESA-N	314.490	2.302	5	40	DEBB	
CC1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)CC1	3384002	WYLWXVDTMLYORN-UHFFFAOYSA-N	306.318	2.010	5	40	DEBB	
NC(=O)COc1ccccc1CNc1ccc([N+](=O)[O-])cc1	408610624	QSUWBHCPOOEPSU-UHFFFAOYSA-N	301.302	2.071	5	40	DEBB	
NC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	5583578	JCJLKHXIDDQNTB-JXMROGBWSA-N	311.297	2.346	5	40	DEBB	
Nc1ncnc(Nc2cc([N+](=O)[O-])ccc2Cl)c1[N+](=O)[O-]	4224501	FYTFMYSHNTXPJA-UHFFFAOYSA-N	310.657	2.272	5	40	DEBB	
CC1=C([N+](=O)[O-])[C@H](c2ccccc2OC(F)F)NC(=O)N1C	4428082	XTWWXSRXLDVMIT-JTQLQIEISA-N	313.260	2.492	5	40	DEBB	
CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	58357884	VWNGNXBCPMHITF-ZDUSSCGKSA-N	305.334	2.180	5	40	DEBB	
C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5748404	KFKLCIAIOLZTDL-JTQLQIEISA-N	307.306	2.447	5	40	DEBB	
O=C(NCC(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	9633477	BRONQPOIXGPKEQ-UHFFFAOYSA-N	317.267	2.487	5	40	DEBB	
O=[N+]([O-])c1cnc(NCCc2nnc3n2CCCC3)c(Cl)c1	97108411	XPXBDVZBICYWHX-UHFFFAOYSA-N	322.756	2.226	5	40	DEBB	
COc1ccc(NC(=O)CN2CCCCCC2)c([N+](=O)[O-])c1	6849561	DONNJCHPVGCLTO-UHFFFAOYSA-N	307.350	2.418	5	40	DEBB	
CCc1noc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1	20897962	PVDSBZORIJXFMY-UHFFFAOYSA-N	304.306	2.044	5	40	DEBB	
O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC3(CCC3)C2)cc1	96002006	TXKBQHJBFPFQGQ-UHFFFAOYSA-N	324.402	2.343	5	40	DEBB	
CN1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	69561938	GMBBBTCSSZKYAN-QGZVFWFLSA-N	318.421	2.201	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1c1ccc2c(c1)OCO2	69584810	VMBNXGQEFXNAJI-LLVKDONJSA-N	316.317	2.399	5	40	DEBB	
COc1ccc(CN(C)[C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-]	69532283	YIMKBGLFIJUWFN-LBPRGKRZSA-N	321.377	2.046	5	40	DEBB	
O=C(Nc1csc(N2CCCCC2)n1)c1n[nH]cc1[N+](=O)[O-]	97047356	PCANWBSMYOYJMQ-UHFFFAOYSA-N	322.350	2.017	5	40	DEBB	
C[C@H](NC[C@H](C)N1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1	95967934	BWIDYRLXNOAYNM-IHRRRGAJSA-N	307.394	2.355	5	40	DEBB	
CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1	95957544	QCTPWHZLVYZDHN-HNNXBMFYSA-N	321.377	2.424	5	40	DEBB	
CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1/C=C/C(=O)O	2527017	DAKYHZYBCBZETG-GQCTYLIASA-N	304.258	2.351	5	40	DEBB	
CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	75128280	FXVJTUUZNKCSGL-GFCCVEGCSA-N	323.324	2.319	5	40	DEBB	
CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC1	71858665	QDAGVJXDPCQVNX-UHFFFAOYSA-N	309.341	2.290	5	40	DEBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)NCCc1ccc(Cl)cc1	72332103	AFNLGZLSOUOIHU-UHFFFAOYSA-N	322.752	2.112	5	40	DEBB	
Cn1cccc1-c1csc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n1	95978306	OCPYDAIVLCWUTE-UHFFFAOYSA-N	318.318	2.032	5	40	DEBB	
CC(C)(C)OC(=O)N1CCN(c2cccc(N)c2[N+](=O)[O-])CC1	40435211	HESOMQFVFSQAMM-UHFFFAOYSA-N	322.365	2.234	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C)C1	32401088	LYTHMSSWJLPUKQ-JTQLQIEISA-N	314.363	2.024	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H]1C=C[C@@H]2C12CC2	100783149	AVTTZUXWWZWWCH-XUXIUFHCSA-N	310.309	2.296	5	40	DEBB	
C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C	97086009	DEUWMUIZJBGQFJ-VXGBXAGGSA-N	312.391	2.099	5	40	DEBB	
Cc1nc(N2CCC(O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-]	89637846	CJIVSHMRBLUHOT-UHFFFAOYSA-N	305.256	2.192	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)[C@H]2CCCO2)c1	281367242	WMZOJSMPXKVJMS-TZMCWYRMSA-N	322.361	2.356	5	40	DEBB	
CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC	84721479	REQGIEZEWQJGEA-WRWORJQWSA-N	314.363	2.282	5	40	DEBB	
Cc1cncc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1	95990487	YINJTXMJOBNBRY-UHFFFAOYSA-N	321.358	2.283	5	40	DEBB	
C[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1	36329871	NELWIEWNKRGBRE-SRVKXCTJSA-N	307.350	2.031	5	40	DEBB	
O=C(O)Cn1c2ccccc2c2nn3c(nc4ccccc43)nc21	85646	FAGPFLAWTBAEEE-UHFFFAOYSA-N	317.308	2.470	5	40	DEBB	
C[C@H]1CCCN(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)C1	46990425	LEJTVJUVEXCBKG-LBPRGKRZSA-N	309.366	2.430	5	40	DEBB	
O=C(NCc1ccccc1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	25052122	XVBJTFVCJPYYFV-OAHLLOKOSA-N	315.329	2.128	5	40	DEBB	
CCOC(=O)C(C)(C(=O)OCC)c1ccc([N+](=O)[O-])c(F)c1	6205950	VHMVOAWAZZEEPH-UHFFFAOYSA-N	313.281	2.118	5	40	DEBB	
O=C1Nc2ccccc2[C@]12CC(c1cccc([N+](=O)[O-])c1)=NN2	8767758	HHZQUVIXFZDXMV-MRXNPFEDSA-N	308.297	2.140	5	40	DEBB	
CCc1ccc(C(=O)Nc2cncnc2N(C)C)cc1[N+](=O)[O-]	95427947	NULOASLWIJGZLQ-UHFFFAOYSA-N	315.333	2.266	5	40	DEBB	
Cc1cc(=O)n(C[C@H](O)c2cccc(Cl)c2)cc1[N+](=O)[O-]	89568485	ZZYZUJVOYYIOGF-ZDUSSCGKSA-N	308.721	2.452	5	40	DEBB	
Cc1ccc(OCC(=O)N(C)c2ccccc2)c([N+](=O)[O-])n1	5970424	MNRDELNDSODGND-UHFFFAOYSA-N	301.302	2.340	5	40	DEBB	
O=C(O)C(=O)Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	2517084	SPYNICUJKSZDMS-UHFFFAOYSA-N	315.281	2.370	5	40	DEBB	
NC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	2740043	UDBSQKPTXXINGK-XCVCLJGOSA-N	311.297	2.346	5	40	DEBB	
O=C([C@H]1CCCN1c1ccccc1[N+](=O)[O-])N1CCSCC1	71904195	QOGOREAXYSTDHV-CQSZACIVSA-N	321.402	2.139	5	40	DEBB	
O=C(O)c1ccc(Sc2nnc3ccccn23)c([N+](=O)[O-])c1	3194144	GCAWURZLIJVQAK-UHFFFAOYSA-N	316.298	2.487	5	40	DEBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CCS(=O)(=O)C1	4863495	CKBOWGFRKGGWSC-MRVPVSSYSA-N	324.280	2.213	5	40	DEBB	
C[C@@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1ccco1	97115233	LKLYPCLSVPFKRC-MRVPVSSYSA-N	311.319	2.008	5	40	DEBB	
CC(C)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1	75198912	WKGTUXBWWHBUSP-UHFFFAOYSA-N	304.306	2.405	5	40	DEBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)c1ncnc2c1cnn2C	45025368	SVAQINKAIVEWKS-JTQLQIEISA-N	312.333	2.469	5	40	DEBB	
Cc1occc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	48305777	ZTIWLPMOISMVEH-UHFFFAOYSA-N	315.329	2.459	5	40	DEBB	
COC(=O)c1cc(C(=O)N(C)[C@@H](C)C2CC2)cc([N+](=O)[O-])c1	13012128	SIJRZSUDRHIZSM-VIFPVBQESA-N	306.318	2.252	5	40	DEBB	
CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCC1	97081362	UMQNRUAGNONCDE-AWEZNQCLSA-N	303.318	2.099	5	40	DEBB	
Cc1cc(NS(=O)(=O)c2cncc(F)c2)ccc1[N+](=O)[O-]	95982929	RSVXGZMFFVIIPG-UHFFFAOYSA-N	311.294	2.238	5	40	DEBB	
O=C(NC[C@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1	10220508	BEBDNTHUTJZIMD-ZDUSSCGKSA-N	306.318	2.010	5	40	DEBB	
Cc1ccc(NC(=O)COC(=O)c2cccnc2)cc1[N+](=O)[O-]	10039983	XLEKQEIOMZUAMU-UHFFFAOYSA-N	315.285	2.094	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4ccccn34)C2)nc1	22058739	JRWDHZAOELKMJH-LBPRGKRZSA-N	324.344	2.417	5	40	DEBB	
CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O	3280831	FXYQJFFJQHAXBS-JTQLQIEISA-N	300.698	2.087	5	40	DEBB	in-vitro
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1	35944140	KCLHWWXCLKUYCR-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccn2)CC1	189666692	QKLRVKVGHCIBFG-UHFFFAOYSA-N	312.329	2.034	5	40	DEBB	
CCC(CC)c1cc(CNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])on1	96426602	RLRLUDZAUCAJEH-UHFFFAOYSA-N	321.337	2.448	5	40	DEBB	
Cc1nc(NCC2(N3CCCC3)CCOCC2)ccc1[N+](=O)[O-]	95414916	MQQIPUFNLFDJBX-UHFFFAOYSA-N	320.393	2.355	5	40	DEBB	
O=c1ccc([N+](=O)[O-])cn1Cc1cc(Cl)c2c(c1)OCO2	12475673	WEQTUFWHPNIBKC-UHFFFAOYSA-N	308.677	2.187	5	40	DEBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1ccnc1	58152390	CDJMANBOZOIJLD-UHFFFAOYSA-N	317.349	2.043	5	40	DEBB	
Cc1ccc(OCC(=O)NCC2CCCCC2)c([N+](=O)[O-])n1	13206768	NLUAZMPCZHHVGX-UHFFFAOYSA-N	307.350	2.374	5	40	DEBB	
COc1c(OC)c(O)c2c(c1OC)c(=O)c1ccccc1n2C	4822329	BYNANOJTVKJCIW-UHFFFAOYSA-N	315.325	2.423	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c([N+](=O)[O-])c1	100179686	BXVIFRVMCZKCFS-GRUDOPTHSA-N	324.336	2.461	5	40	DEBB	
O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)NCC1CCC1	26140652	ABYWTEOAGQUVBQ-SNAWJCMRSA-N	318.329	2.391	5	40	DEBB	
CCN(CC)CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	4141200	ZYAUFHYTYRUAIR-MDZDMXLPSA-N	305.378	2.456	5	40	DEBB	
CC(=O)NCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc12	97083780	RWIJXDSIIWOLJQ-UHFFFAOYSA-N	302.334	2.390	5	40	DEBB	
CCS[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	96456064	HDOWUJADSUTSJP-NXEZZACHSA-N	312.395	2.420	5	40	DEBB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H](C)C2	96500330	XKPLYBHSAKMIHM-YGRLFVJLSA-N	314.345	2.300	5	40	DEBB	
COc1ccccc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]	55651085	BDHWRRBFTWDCIZ-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
O=C(NCc1cccs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	6334875	FKWQBHHLBKOJJR-UHFFFAOYSA-N	307.287	2.495	5	40	DEBB	
Cc1[nH]c2ccccc2c1/C=C/c1nc(O)c([N+](=O)[O-])c(=O)[nH]1	9235086	PTYXJKURGMONME-VOTSOKGWSA-N	312.285	2.344	5	40	DEBB	
CC[C@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O	106923130	IQACYCUPYJIURQ-STQMWFEESA-N	306.366	2.216	5	40	DEBB	
COc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cn1	10261935	CMFBSTVJQUEQFX-UHFFFAOYSA-N	302.290	2.320	5	40	DEBB	
Cc1nn(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C	69585307	ZIVOFQBDGJYOGG-UHFFFAOYSA-N	324.362	2.054	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1	9468357	JZXHJXXYCFBFGD-NXEZZACHSA-N	302.334	2.314	5	40	DEBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3[nH]ncc23)cs1	95945551	PQXDARHXRGOCKA-UHFFFAOYSA-N	324.343	2.333	5	40	DEBB	
COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C(C)C)nn2C)c1	78912824	CPFVYEXQFVFCSX-UHFFFAOYSA-N	319.321	2.108	5	40	DEBB	
Cn1nc(I)c2c([N+](=O)[O-])cccc21	616567832	FNGBLOAACABSNX-UHFFFAOYSA-N	303.059	2.086	5	40	DEBB	
CC(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2	190307	JYBRIBKZICNPQW-UHFFFAOYSA-N	304.331	2.486	5	40	DEBB	
CC(=O)CC[C@H](CCC[C@@H](CCC(C)=O)[N+](=O)[O-])[N+](=O)[O-]	1595442	UFIRUAZYPUGOBZ-STQMWFEESA-N	302.327	2.186	5	40	DEBB	
O=C(NCC(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	45801566	USSWWLYRJQGSQT-UHFFFAOYSA-N	314.223	2.073	5	40	DEBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H]1CCCC[C@@H]1C	104651655	KNFAPERNFZWXIB-DCAQKATOSA-N	324.333	2.428	5	40	DEBB	
COCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[C@H](C)C1	225391904	OUBAZAYDSCABNL-NWDGAFQWSA-N	321.377	2.454	5	40	DEBB	
CCSc1ccc([N+](=O)[O-])cc1C(=O)/N=c1/[nH]cc(C)[nH]1	96486925	IOVGALOJHRREAD-UHFFFAOYSA-N	306.347	2.413	5	40	DEBB	
CC(C)(C)Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)[nH]n1	96423924	UTAJSYBMPUHOQZ-UHFFFAOYSA-N	320.353	2.132	5	40	DEBB	
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(C)c1ccccc1	5971211	MSETVVDHXXMHKR-LLVKDONJSA-N	301.302	2.420	5	40	DEBB	
NC(=S)Nc1nc2cc([N+](=O)[O-])c(N3CCCC3)cc2s1	20154722	VEKCTBVHOPQDIF-UHFFFAOYSA-N	323.403	2.460	5	40	DEBB	
Cc1ccccc1NC(=O)NCCn1c([N+](=O)[O-])cnc1C	20030990	QKZBHRGLQXGUAE-UHFFFAOYSA-N	303.322	2.230	5	40	DEBB	
CCOc1ccc([C@@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])cc1OC	78710	JUDGHKQSAMTXDZ-ZDUSSCGKSA-N	321.333	2.298	5	40	DEBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1	241404	VETTYIBADDIRLB-UHFFFAOYSA-N	301.254	2.340	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-]	8327782	PEGNMKPLIJQDQB-GBIKHYSHSA-N	308.382	2.349	5	40	DEBB	
COc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cn2)cc1	408585083	CFMUAUWGBONAGH-UHFFFAOYSA-N	319.346	2.312	5	40	DEBB	
CC[C@H](C)[C@@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	97376216	PCCILVQACCXJPM-DTWKUNHWSA-N	301.368	2.089	5	40	DEBB	
O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1nncs1	5758811	FTCSEZMHUQMDHK-JTQLQIEISA-N	308.344	2.225	5	40	DEBB	
C[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H]1C	108386031	TVXITAAWKGWQBE-RYUDHWBXSA-N	312.391	2.197	5	40	DEBB	
O=[N+]([O-])c1ccccc1NCc1ccc(N2CCOCC2)nc1	14306767	HBXAYRCHGGAGMN-UHFFFAOYSA-N	314.345	2.439	5	40	DEBB	
O=C(CN1CCO[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-]	58266865	SOTUWNQBKCIOHP-GJZGRUSLSA-N	319.361	2.177	5	40	DEBB	
CCOCCN(Cc1ccccc1[N+](=O)[O-])C[C@@H](C)C(=O)OC	65542316	HEDSTZVXARKJMN-CYBMUJFWSA-N	324.377	2.242	5	40	DEBB	
CCc1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1	71899697	YXFXERZXYMFBRB-UHFFFAOYSA-N	324.724	2.466	5	40	DEBB	
COc1ccc(C)cc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1	95994870	SMZNQYDRZOHDHS-SNVBAGLBSA-N	304.306	2.308	5	40	DEBB	
Cc1nc(C)c(CCNC(=O)c2ccc(O)c([N+](=O)[O-])c2)s1	164577766	SWNSVJFAAZCXJA-UHFFFAOYSA-N	321.358	2.346	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccco1	20611780	KVTYIKRUDCWCFG-UHFFFAOYSA-N	317.301	2.277	5	40	DEBB	
CC[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	408715871	GBQJTWCWOIFNAE-LURJTMIESA-N	311.216	2.158	5	40	DEBB	
COc1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)nn1C	72285477	YXWXOVNOALPWQY-UHFFFAOYSA-N	304.306	2.206	5	40	DEBB	
Cc1cccnc1NC(=O)CSc1ccc([N+](=O)[O-])cn1	409178570	LIPQSNZZQMWJDS-UHFFFAOYSA-N	304.331	2.424	5	40	DEBB	
CCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)n[nH]1	70462423	PACOUXZGYQZXLK-UHFFFAOYSA-N	308.319	2.349	5	40	DEBB	
CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	96418853	RMSJPTBAKZEWNE-IMJJTQAJSA-N	318.373	2.409	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1COc2ccccc2C1	45786323	DNBWTXGZJXXIEB-CQSZACIVSA-N	312.325	2.257	5	40	DEBB	
O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2C=CCCC2)cc1	96500090	RMJRDSOTEMBISR-CYBMUJFWSA-N	310.375	2.165	5	40	DEBB	
COCC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1	32770044	WKUWEZOXGSSKRL-UHFFFAOYSA-N	302.290	2.318	5	40	DEBB	
O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	102595422	XXEUORHXHOMNOK-PNZRWIHMSA-N	302.286	2.056	5	40	DEBB	
CC(C)(C)OC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1	24796457	GEXYXIWNBBMWHB-UHFFFAOYSA-N	321.377	2.059	5	40	DEBB	
O=[N+]([O-])c1ccc(OCCSc2ncnc3[nH]cnc23)cc1	118179864	REXBCCWIVOXOLW-UHFFFAOYSA-N	317.330	2.432	5	40	DEBB	
Cc1ccc(S(=O)(=O)N[C@H](C)c2ccncc2)cc1[N+](=O)[O-]	7059226	RTDXHTABCBVBJB-LLVKDONJSA-N	321.358	2.338	5	40	DEBB	
Cc1ccc(OCC(=O)N2CCc3ccccc32)c([N+](=O)[O-])n1	9662675	LOAWRGIHHSFKPW-UHFFFAOYSA-N	313.313	2.266	5	40	DEBB	
CC(C)(C)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	54922981	NZEYKXSVGMEXFD-UHFFFAOYSA-N	322.434	2.390	5	40	DEBB	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c3ccccc3ncn2n1	2730976	KJRMOIYFWBRBGN-SNVBAGLBSA-N	323.316	2.186	5	40	DEBB	
O=[N+]([O-])c1cc(Br)ccc1OC[C@@H]1CCNC1	42771390	KQIGLTKSTLEZIW-MRVPVSSYSA-N	301.140	2.346	5	40	DEBB	
CCOCCOC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	58265291	WEQSOMITJYFORW-UHFFFAOYSA-N	319.317	2.189	5	40	DEBB	
CN(Cc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	9048263	OTHUIMDBNXXKPT-UHFFFAOYSA-N	321.720	2.209	5	40	DEBB	
COc1ccc([C@@H](C[N+](=O)[O-])n2nc(C)cc2C)c(OC)c1	75175	QHGZJMHRLJQMML-CQSZACIVSA-N	305.334	2.383	5	40	DEBB	
Cc1cc(N2CCC(NC(=O)C3CC3)CC2)ccc1[N+](=O)[O-]	48279126	VESMNCCDZRFPDN-UHFFFAOYSA-N	303.362	2.398	5	40	DEBB	
CCn1c(=O)c([N+](=O)[O-])c(N2CCSCC2)c2ccccc21	5529393	RDXAEWBFZCGSCN-UHFFFAOYSA-N	319.386	2.483	5	40	DEBB	
Cc1nc(N(C)C)sc1CCNc1ccc([N+](=O)[O-])nc1	95398336	VZCDDOBJCGNSCV-UHFFFAOYSA-N	307.379	2.475	5	40	DEBB	
CC(C)(C)OC(=O)N[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1	67800479	IUXNCGRUHMYCFX-SNVBAGLBSA-N	308.338	2.093	5	40	DEBB	
O=C(O)c1nn(-c2ccc(Cl)c(Cl)c2)nc1[N+](=O)[O-]	89263399	MBOZWQACUILTKA-UHFFFAOYSA-N	303.061	2.181	5	40	DEBB	
O=C(O)c1nn(-c2ccc(Cl)cc2Cl)nc1[N+](=O)[O-]	89263382	ARJUSTCVGBIMGU-UHFFFAOYSA-N	303.061	2.181	5	40	DEBB	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2ccccn2)cn1	96495431	KOKBTOAASLVNEQ-UHFFFAOYSA-N	324.300	2.038	5	40	DEBB	
O=C(N[C@H]1CCSC1=O)c1ccc(Cl)c([N+](=O)[O-])c1	183115	HAAUYRHTOYLFAP-QMMMGPOBSA-N	300.723	2.010	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1)C31CC1	100783143	AVTTZUXWWZWWCH-XDQVBPFNSA-N	310.309	2.296	5	40	DEBB	
CCCCNC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	3386447	OVSDCSLGQBJFHI-UHFFFAOYSA-N	314.725	2.321	5	40	DEBB	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	195531723	ZRKPVRRHROONNE-KFWWJZLASA-N	324.425	2.347	5	40	DEBB	
NC(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1	25286138	OJDXLGGWNVORHF-UHFFFAOYSA-N	315.285	2.347	5	40	DEBB	
O=C(NCc1cccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2086284	OPLCOFVVYHJHKF-UHFFFAOYSA-N	307.287	2.495	5	40	DEBB	
CN(Cc1ncnn1C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1	90102634	AAUUUOOGUBXVLX-UHFFFAOYSA-N	324.344	2.422	5	40	DEBB	
C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[S@](C)=O	97162543	JQLVUAKLERGENA-ZPWHCFADSA-N	318.782	2.135	5	40	DEBB	
COc1ccc([C@@H](CO)Nc2ncc(C)cc2[N+](=O)[O-])cc1	78664327	DUCJCCJIIKAYLM-CYBMUJFWSA-N	303.318	2.452	5	40	DEBB	
Cc1ccsc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	22061597	VIHXTYBNIUBJBM-GFCCVEGCSA-N	306.343	2.428	5	40	DEBB	
NC(=O)[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1	129591949	SCLLNVKFNDAIPM-NSHDSACASA-N	324.699	2.421	5	40	DEBB	
COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cc(C)on2)c1	97082379	HNTPCTHRMVLEHJ-UHFFFAOYSA-N	305.290	2.314	5	40	DEBB	
O=C(NCCc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1	4248428	BUBRLQGLDJQXGJ-UHFFFAOYSA-N	310.313	2.215	5	40	DEBB	
COc1c(-c2nc3cnccn3n2)cc(Cl)cc1[N+](=O)[O-]	1857794582	CDTJKAFIQLMLDL-UHFFFAOYSA-N	305.681	2.362	5	40	DEBB	
COc1ncccc1NC(=O)CNc1ccccc1[N+](=O)[O-]	58357419	PIISFFWXLUDSNE-UHFFFAOYSA-N	302.290	2.049	5	40	DEBB	
CS[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C	89314153	VKKQEKNUJYYBPO-QWRGUYRKSA-N	316.814	2.125	5	40	DEBB	
O=C(NCCNc1ncccc1[N+](=O)[O-])c1ccccc1Cl	32923643	WLXARVSACZXVRZ-UHFFFAOYSA-N	320.736	2.485	5	40	DEBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(Cl)cc1	72332106	OOZBDCWPYJDEGI-UHFFFAOYSA-N	308.725	2.070	5	40	DEBB	
CCN(c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	195214332	PCAHFZBECUNKNS-UHFFFAOYSA-N	307.331	2.205	5	40	DEBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCn1ccnc1	5286175	WMBZFQCBUMFJEE-QPJJXVBHSA-N	300.318	2.011	5	40	DEBB	
Cc1c(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-]	106853019	QLZKXELTOPYTGQ-NEPJUHHUSA-N	314.407	2.157	5	40	DEBB	
Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)no1	2377004	DWKSZDQPZHQKJO-UHFFFAOYSA-N	306.234	2.360	5	40	DEBB	
O=[N+]([O-])c1cn(Cc2nccn2C(F)F)nc1-c1ccncc1	81080285	ZSOGNSQFYCKXDW-UHFFFAOYSA-N	320.259	2.493	5	40	DEBB	
Cc1csc2nc(Cc3ccc([N+](=O)[O-])cn3)[nH]c(=O)c12	97053015	FNYNAFCIPFWWKK-UHFFFAOYSA-N	302.315	2.187	5	40	DEBB	
COCCOC1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1	225820635	HXNLELUXRVVNOM-UHFFFAOYSA-N	322.361	2.429	5	40	DEBB	
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CCO)CC1	533279988	CMBHSOBPPZDPNF-LBPRGKRZSA-N	321.377	2.016	5	40	DEBB	
O=C(N[C@H]1CCSC1=O)c1ccc([N+](=O)[O-])cc1Cl	83281	BWIGZSVIZFCNFC-VIFPVBQESA-N	300.723	2.010	5	40	DEBB	
CN1C2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)N2c2ccccc21	275552	INZFDKZTEFAZQV-XYOKQWHBSA-N	310.269	2.381	5	40	DEBB	
CCNC(=O)CNC(=O)c1cc2ccccc2c2cccnc12	48274979	QWIVMHFGANKCHD-UHFFFAOYSA-N	307.353	2.254	5	40	DEBB	
C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)O1	17325121	HAZOLCNCGYCMKH-GHMZBOCLSA-N	319.361	2.419	5	40	DEBB	
COc1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cc1[N+](=O)[O-]	65539994	BYPLTVPFIWNCSY-LLVKDONJSA-N	320.345	2.245	5	40	DEBB	
CC(C)N(CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C	6822707	ZEBRVIZIWSUEHB-UHFFFAOYSA-N	308.382	2.224	5	40	DEBB	
O=C(OC1CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1	95450765	VFWUQSQUXPJGNW-UHFFFAOYSA-N	307.302	2.437	5	40	DEBB	
COc1cccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	224744516	USSOGPOPATYMOG-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
O=C(Nc1nnc([C@@H]2CCCO2)o1)c1ccc([N+](=O)[O-])s1	10970552	XWHHLKDRNNFRPR-LURJTMIESA-N	310.291	2.143	5	40	DEBB	
CCONC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1	10893255	VROKEOUBVWJQNR-UHFFFAOYSA-N	318.333	2.138	5	40	DEBB	
Cc1ccccc1COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	24841988	GTKNQPIEUKIQLC-UHFFFAOYSA-N	322.342	2.130	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc[nH]2)c1	390833357	GOGHYKRDHLYTMU-UHFFFAOYSA-N	303.318	2.317	5	40	DEBB	
CC(C)(C)c1ccc(OC[C@@H](O)C[N+]2(C)CCOCC2)cc1	8843571	MCMVQNMJXIAYJG-INIZCTEOSA-N	308.442	2.201	5	40	DEBB	
O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	2736395	VEDGJEPLCUKFLD-NXEZZACHSA-N	308.265	2.339	5	40	DEBB	
CCn1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1	54539823	IIMKNKVHYUSVTK-UHFFFAOYSA-N	303.322	2.175	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)c(O)c1	20137242	AQSIHIURFVTPFP-UHFFFAOYSA-N	316.269	2.180	5	40	DEBB	
CN(C)C(=O)c1cccc(CCNc2ccncc2[N+](=O)[O-])c1	76063966	ONXNNCCAAUYSLI-UHFFFAOYSA-N	314.345	2.346	5	40	DEBB	
Cc1n[nH]c2nc(-c3cc([N+](=O)[O-])ccc3O)cc(C(=O)O)c12	49544970	NGGAKHBLMWMDLT-UHFFFAOYSA-N	314.257	2.245	5	40	DEBB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccco1	7183886	UQUPOFNJJPZUPJ-UHFFFAOYSA-N	303.318	2.226	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1cccc([N+](=O)[O-])c1	4461692	MVBBJJKRHILWHY-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(O)CC3)o2)c1	69527472	CYGZIIOVIFGHFE-UHFFFAOYSA-N	317.345	2.249	5	40	DEBB	
Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-]	101226396	QXUCKAQNPSJPTF-GVXVVHGQSA-N	310.375	2.370	5	40	DEBB	
O=[N+]([O-])c1cc([C@H]2SC=C3Sc4nncn4N32)ccc1O	20724606	HRQATMHSIRDWIA-SNVBAGLBSA-N	321.343	2.180	5	40	DEBB	
O=[N+]([O-])c1ccc(-c2nnc(S)n2C[C@H]2CCCO2)cc1	6058898	AFAZLLLNNKTJFF-LLVKDONJSA-N	306.347	2.321	5	40	DEBB	
C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nc[nH]n1	95455209	LNGNHAMXOKLCLG-RXMQYKEDSA-N	313.115	2.044	5	40	DEBB	
CCOC(=O)c1cc(I)cc([N+](=O)[O-])c1	35333433	FWLQRGJGXWXGPW-UHFFFAOYSA-N	321.070	2.376	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3ccon3)CC2)c(F)c1	96429772	ZXZCWXRLEOEZQW-UHFFFAOYSA-N	306.297	2.044	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c1	40565530	XILOOQHUGCTNIT-UHFFFAOYSA-N	318.314	2.272	5	40	DEBB	
O=C(CSc1ncn[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl	6888766	CTQMYNCVAQLZFS-UHFFFAOYSA-N	313.726	2.097	5	40	DEBB	
Cc1nn(C)c(C)c1C(=O)N(C)Cc1cccc([N+](=O)[O-])c1	25254996	WDSOHSSBAWMTQU-UHFFFAOYSA-N	302.334	2.217	5	40	DEBB	
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CCO)CC1	533279987	CMBHSOBPPZDPNF-GFCCVEGCSA-N	321.377	2.016	5	40	DEBB	
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)OCO2	77290992	YUFDDJRRXFNISY-UHFFFAOYSA-N	315.285	2.035	5	40	DEBB	
CC[C@@](Cl)([C@@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	96520710	GDAAAYIZVSPRSL-RYUDHWBXSA-N	321.782	2.408	5	40	DEBB	
Cc1cc(C)c(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(C)c1	6201306	SPSHNTBYZTWECT-SNAWJCMRSA-N	301.302	2.067	5	40	DEBB	
O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccccc1[N+](=O)[O-]	10220497	MGELDRBDNOLOKH-LLVKDONJSA-N	306.318	2.010	5	40	DEBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1	5164392	XDIBBLUEFFXXFU-JTQLQIEISA-N	308.386	2.050	5	40	DEBB	
Cc1nc(C(C)(C)NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])sc1C	76649743	WXJBPUJTRFBNDA-UHFFFAOYSA-N	323.378	2.365	5	40	DEBB	
O=C(NCc1cc(Cl)ccc1OC(F)F)[C@@H]1C[C@@H]1[N+](=O)[O-]	73363927	ICEKLILMAGKKKN-BDAKNGLRSA-N	320.679	2.223	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)c([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C1	100065458	BRQWJRXWXQPCLC-XMUKKISLSA-N	302.261	2.045	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCCC1	176389	OXTQLPABKSYWCK-UHFFFAOYSA-N	307.350	2.418	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C2CCCC2)C1	8234517	IKTZRKIQLDNFNY-NSHDSACASA-N	317.345	2.324	5	40	DEBB	
CCOc1ccc(Nc2nc(NC)nc(N)c2[N+](=O)[O-])cc1	5149789	HTFWHMAZRXHNLQ-UHFFFAOYSA-N	304.310	2.151	5	40	DEBB	
Cc1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])n1	9127629	OXMLUHIPVULNRE-RYUDHWBXSA-N	307.350	2.467	5	40	DEBB	
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CCC2)C1	96009764	LYRFGSZCOHWPKU-CYBMUJFWSA-N	306.362	2.211	5	40	DEBB	
NC(=O)[C@H]1CCCCC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-]	96489037	RDWCJJQVVIHWNG-VHSXEESVSA-N	312.757	2.489	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccc(O)cc1	83953055	VZOVJYWGKGHNHY-UHFFFAOYSA-N	323.326	2.283	5	40	DEBB	
Cc1cc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c(=O)[nH]1	4248361	VSWHZMAIGJUURA-UHFFFAOYSA-N	308.677	2.464	5	40	DEBB	
CCONC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	36389839	NWWHGZJKFNUCEP-DZGCQCFKSA-N	319.361	2.194	5	40	DEBB	
Cc1nc(CCNC(=O)Nc2ccncc2[N+](=O)[O-])sc1C	97080952	XYAYZRUCICSFCO-UHFFFAOYSA-N	321.362	2.427	5	40	DEBB	
Cc1cc(C(=O)N[C@@H](CO)Cc2ccccc2)cc([N+](=O)[O-])c1	95981012	YURZQWGRFWWNFQ-OAHLLOKOSA-N	314.341	2.237	5	40	DEBB	
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCSC(F)(F)F	48483681	YWFGHAZDKZIJNL-UHFFFAOYSA-N	309.269	2.281	5	40	DEBB	
C[C@H](Cc1cccs1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N	97114147	NXBAZSYODVVSBB-SECBINFHSA-N	320.374	2.337	5	40	DEBB	
CN1CCC2(CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])CC1	95454230	VBFYSWFPIVAXOT-UHFFFAOYSA-N	317.389	2.224	5	40	DEBB	
CCc1nncn1CCNc1cc(OC)c(F)cc1[N+](=O)[O-]	96466632	UOEDXBJVSZJBKD-UHFFFAOYSA-N	309.301	2.009	5	40	DEBB	
C[C@H](Cn1cccn1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	47993931	PUSSSQJICMNGML-NNNHXZLVSA-N	300.318	2.009	5	40	DEBB	
O=C(NC1CC1)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1	4660516	AQTFZIMHZSGYCF-GFCCVEGCSA-N	305.334	2.078	5	40	DEBB	
C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1	45496626	SGJFPISYJOZRCF-QWRGUYRKSA-N	310.375	2.323	5	40	DEBB	
CC(C)(C)C(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1	52218305	KCVRSJOXWZZFTG-UHFFFAOYSA-N	306.366	2.439	5	40	DEBB	
O=C(CN1C(=O)C(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1	107687605	WRXNMDGICAZEQR-UHFFFAOYSA-N	310.265	2.007	5	40	DEBB	
O=[N+]([O-])c1cccnc1Sc1nnnn1-c1ccccc1	480302	OPJYWNHAOOHBHE-UHFFFAOYSA-N	300.303	2.117	5	40	DEBB	
Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)no1	14246946	XTXWJYVLCQQDED-VIFPVBQESA-N	319.273	2.075	5	40	DEBB	
COc1ccc(CNC(=O)n2nc(C)c([N+](=O)[O-])c2C)cc1	14246109	GZWAEABMTZQFKT-UHFFFAOYSA-N	304.306	2.175	5	40	DEBB	
Cc1csc(CCCNC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1	97112679	INKFRVQEGQAZLD-UHFFFAOYSA-N	321.358	2.428	5	40	DEBB	
CC(=O)Nc1cccc(OCCNc2ccc([N+](=O)[O-])cn2)c1	69698679	DVEWAQMXYHNGIB-UHFFFAOYSA-N	316.317	2.439	5	40	DEBB	
O=[N+]([O-])c1cc(F)ccc1N1CCN(c2ccccn2)CC1	8177748	BQNCJTDXQCHYNL-UHFFFAOYSA-N	302.309	2.456	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)n2cnc3ccccc32)c1	315097	LJRWLMONIMNZRZ-UHFFFAOYSA-N	303.299	2.182	5	40	DEBB	
C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1	12636698	HEGFPPDKAWFNRO-JTQLQIEISA-N	305.334	2.030	5	40	DEBB	
CC(C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	10668156	GKCIGCJHKOLBRV-UHFFFAOYSA-N	314.725	2.320	5	40	DEBB	
C[C@@H](OC[C@H]1CCCO1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1	71795779	LDQQKQKHWSZBHZ-BXUZGUMPSA-N	308.334	2.142	5	40	DEBB	
C[C@H]1[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[S@@]1=O	83199404	SBRVSJGYLZOJCI-BNJANLQDSA-N	323.374	2.077	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)cc1	5344429	JPQBYMSNLYLRHE-UHFFFAOYSA-N	300.270	2.474	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1N[C@@H]1c1ccc([N+](=O)[O-])cc1	1686022	MDYONHHLJLMUBM-KGLIPLIRSA-N	313.269	2.399	5	40	DEBB	
COCc1cc([N+](=O)[O-])ccc1N1CCN(CC2CC2)CC1	78876160	KRBMAJRHNMYJNX-UHFFFAOYSA-N	305.378	2.273	5	40	DEBB	
Cc1cccc(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])c1	97115251	KNPOFPSLXNHERH-UHFFFAOYSA-N	321.358	2.163	5	40	DEBB	
O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCSCC1	72328740	JRPHYOODEZKMLK-UHFFFAOYSA-N	318.358	2.174	5	40	DEBB	
Cc1ccc(S(=O)(=O)n2ncc3ccc([N+](=O)[O-])cc32)cc1	6814795	OTDCYJXDKMISFM-UHFFFAOYSA-N	317.326	2.490	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H]2CO)c(Br)c1	43597022	GVCMMBOFVKEJBL-SECBINFHSA-N	301.140	2.318	5	40	DEBB	
CC(C)(O)/C=C1\Oc2ccc([N+](=O)[O-])cc2[C@@H]1N1CCOCC1	13809930	AOKGEQVWVWNEPJ-LTBFUDJGSA-N	320.345	2.015	5	40	DEBB	
CC(C)(C)c1nnc(SCCn2cc([N+](=O)[O-])ccc2=O)o1	95446251	YLBHBNZIDRCMAI-UHFFFAOYSA-N	324.362	2.229	5	40	DEBB	
CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C	4070231	LAUTTXCDFOAGCU-CYBMUJFWSA-N	319.317	2.128	5	40	DEBB	
COc1cccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1	16600634	PXJJEKAUPZLNFT-UHFFFAOYSA-N	300.314	2.462	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)cn1	69675155	FCWTUSWGAYIXOF-UHFFFAOYSA-N	323.330	2.108	5	40	DEBB	
CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC	84721471	REQGIEZEWQJGEA-HQJQHLMTSA-N	314.363	2.282	5	40	DEBB	
O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1nccn1C(F)F	95427879	QZGWZNLVNFJOAK-UHFFFAOYSA-N	310.216	2.143	5	40	DEBB	
CCCN1C(=O)N/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O	409233581	SZMUPOVIUGZAKP-ZOCAGLHBSA-N	301.302	2.454	5	40	DEBB	
CNC(=O)c1cccc(CCNc2ncc([N+](=O)[O-])s2)c1	192462025	BIQHFGXDKFCATP-UHFFFAOYSA-N	306.347	2.066	5	40	DEBB	
Cc1cnc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1	96448228	BDTISTVDOBLUCX-RYUDHWBXSA-N	307.350	2.372	5	40	DEBB	
C[C@@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCC[C@@H]1O	96450962	UMHHLXKCDLOXLF-HOCLYGCPSA-N	321.377	2.335	5	40	DEBB	
CCOc1ccccc1C(=O)Oc1cc(C)[nH]c(=O)c1[N+](=O)[O-]	4248345	HUBHGWILZJPYSF-UHFFFAOYSA-N	318.285	2.209	5	40	DEBB	
O=[N+]([O-])c1cc(F)cc2[nH]nc(I)c12	14983884	IYFJIWZQSMZCML-UHFFFAOYSA-N	307.022	2.215	5	40	DEBB	
Cc1cc(C(=O)N[C@H](CO)c2ccccc2)cc([N+](=O)[O-])c1	97047511	ZCKBIRZTIZUNIR-OAHLLOKOSA-N	300.314	2.367	5	40	DEBB	
Cc1cc(C(=O)N2CCSC(C)(C)C2)c(N)c([N+](=O)[O-])c1	81852336	GBGIJDPHEAMYBJ-UHFFFAOYSA-N	309.391	2.453	5	40	DEBB	
O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[C@@H]1O	96461590	VHMLKCLFZIRWKJ-HIFRSBDPSA-N	306.362	2.195	5	40	DEBB	
Cc1ccc(C[C@@H](C)NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1	71915547	MMLFCGRKWIYYIB-SSDOTTSWSA-N	308.363	2.357	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])c2c(Br)n[nH]c2c1	14983791	HRBWBPNNDZJPGW-UHFFFAOYSA-N	300.068	2.020	5	40	DEBB	
CCn1cnnc1SCCC(=O)Nc1ccccc1[N+](=O)[O-]	26413435	FDLZIBGNEFYHMT-UHFFFAOYSA-N	321.362	2.327	5	40	DEBB	
COC(=O)c1ccc(Cl)c(Cn2cccc([N+](=O)[O-])c2=O)c1	97080604	QBJCWIAAQROOOH-UHFFFAOYSA-N	322.704	2.245	5	40	DEBB	
O=C(NC[C@@H](O)c1ccco1)c1cc(Cl)ccc1[N+](=O)[O-]	95417254	FHQVLTCBFOXXDN-LLVKDONJSA-N	310.693	2.305	5	40	DEBB	
C[C@@H]1CN(C[C@H]2CCCN2c2ncccc2[N+](=O)[O-])C[C@@H](C)O1	195570832	DOKPVWFTFVGPBY-MGPQQGTHSA-N	320.393	2.068	5	40	DEBB	
O=C(O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	3148994	XHNVKWYLYSJFKB-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
COc1cccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1	3452228	GUQPGPLPVBHSCT-UHFFFAOYSA-N	316.313	2.299	5	40	DEBB	
O=[N+]([O-])c1c(NC[C@H](O)c2ccccc2)nc2sccn12	8317883	SXYOAXOWMWBLID-JTQLQIEISA-N	304.331	2.450	5	40	DEBB	
C[C@H](NCC1(N(C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1	95968019	TUXYRYWGASJYIK-ZDUSSCGKSA-N	307.394	2.356	5	40	DEBB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	408619848	HZVCVTUETNCINJ-YZXKGSGOSA-N	324.336	2.148	5	40	DEBB	
CC(C)(C)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F	183075529	WWPDYEFPABHRJD-ZETCQYMHSA-N	308.260	2.415	5	40	DEBB	
COc1cc(N2CCC[C@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-]	96429472	JOUKYPUVWKDHSE-ZDUSSCGKSA-N	319.361	2.195	5	40	DEBB	
COC(=O)c1cn(Cc2ccc(F)cc2Cl)nc1[N+](=O)[O-]	675031380	IHQXSZREYMJIEE-UHFFFAOYSA-N	313.672	2.419	5	40	DEBB	
O=C1NC2(CCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1Cl	96007239	WTISIORGJRGCSK-UHFFFAOYSA-N	309.709	2.223	5	40	DEBB	
COc1ccc(C)cc1CCNC(=O)c1cc([N+](=O)[O-])cn1C	30912986	UZRHDDMGANNBBT-UHFFFAOYSA-N	317.345	2.223	5	40	DEBB	
Nc1nc(N2CCCC2)nc(NCc2ccccc2)c1[N+](=O)[O-]	4306417	FBIUNZMRBKBETC-UHFFFAOYSA-N	314.349	2.179	5	40	DEBB	
CCS(=O)(=O)[C@](C)(Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	96520391	YWDMWLXRXDQEGY-MNOVXSKESA-N	307.755	2.018	5	40	DEBB	
CCOC(=O)C(CCc1ccccc1[N+](=O)[O-])C(=O)OCC	1666531	MWGXEFCULTYOQJ-UHFFFAOYSA-N	309.318	2.270	5	40	DEBB	
O=c1c2cc([N+](=O)[O-])ccc2ncn1CCOc1ccccc1	8340822	WHFMYIMQIVQTEK-UHFFFAOYSA-N	311.297	2.384	5	40	DEBB	
Cc1nn(CC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1[N+](=O)[O-]	8986185	SJTBGSIQQYYYTP-SECBINFHSA-N	320.324	2.425	5	40	DEBB	
O=[N+]([O-])c1cccc(F)c1CN1CCN(CC(F)F)CC1	69738079	DUCWMEWZXMKNLC-UHFFFAOYSA-N	303.284	2.117	5	40	DEBB	
CC[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2	16036549	HKFMCZVBOTVKDM-IBEXZBQWSA-N	318.437	2.466	5	40	DEBB	
COC(=O)c1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1	113842	CRPSDLNMAXSGQU-UHFFFAOYSA-N	324.680	2.010	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1COc2ccccc2C1	45786321	DNBWTXGZJXXIEB-AWEZNQCLSA-N	312.325	2.257	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1C(=O)Nn1cnc2ccccc21	12931222	YPLJNUKDFDPZCU-UHFFFAOYSA-N	312.285	2.337	5	40	DEBB	
CC(C)CCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	25401804	ZCAJTZJKIBBROO-UHFFFAOYSA-N	315.347	2.201	5	40	DEBB	
O=c1nc2c3ccccc3nc(O)n2nc1-c1ccc(F)cc1	71924191	MFXKHAYHZLHMBH-UHFFFAOYSA-N	308.272	2.149	5	40	DEBB	
O=C(CN1C(=O)COc2ccccc21)c1ccc([N+](=O)[O-])cc1	320650888	OXNWDBZAICDGMX-UHFFFAOYSA-N	312.281	2.203	5	40	DEBB	
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2CO)cc1[N+](=O)[O-]	96455231	MPPWGYXFBAQMKJ-WCQYABFASA-N	307.350	2.131	5	40	DEBB	
COC(=O)[C@@H](Cc1c[nH]cn1)Nc1cc(Cl)ccc1[N+](=O)[O-]	75260508	OYDQVDGQYQHQCZ-LLVKDONJSA-N	324.724	2.168	5	40	DEBB	
CCOC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1	244655	QNVAFEBTRSTIPR-UHFFFAOYSA-N	309.303	2.300	5	40	DEBB	
Cc1c(COC(=O)c2cnn3cccnc23)cccc1[N+](=O)[O-]	50661261	PZHYAGSTDXCHDD-UHFFFAOYSA-N	312.285	2.303	5	40	DEBB	
O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc([N+](=O)[O-])s1	24901937	DCVMXIPYOLNYIU-UHFFFAOYSA-N	315.314	2.489	5	40	DEBB	
CCO[C@H](c1cccnc1)c1[nH]c(C(=O)O)c([N+](=O)[O-])c1C	12618104	AVSJPHOPMFPNPM-CYBMUJFWSA-N	305.290	2.450	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc([N+](=O)[O-])cc1	4015742	HUWUIGSBCBKZBC-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
CCOc1cccc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c1O	12468430	KYTGZXDGFOQKLJ-SREVYHEPSA-N	319.273	2.071	5	40	DEBB	
COc1cc(C)ccc1OCC(=O)Nc1ccncc1[N+](=O)[O-]	65515206	FWBLJBVEJZWBCR-UHFFFAOYSA-N	317.301	2.324	5	40	DEBB	
Cc1noc(NS(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1C	178402047	ZPNRPHBUWXLTTF-UHFFFAOYSA-N	315.282	2.140	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@@H](O)CO[C@H]2CCCc3ccccc32)c1	95438792	ZAMHKMHHAIYOMN-ZBFHGGJFSA-N	317.345	2.246	5	40	DEBB	
CC(C)COCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	87051830	IEELHKBAPJEZLJ-UHFFFAOYSA-N	321.377	2.335	5	40	DEBB	
O=C(NCCN1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	16384526	ZQXUYEXNRJEUDX-UHFFFAOYSA-N	311.769	2.464	5	40	DEBB	
O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1	2794716	FRRXSNXILPJMCM-UHFFFAOYSA-N	323.312	2.487	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-n1cncn1	24999927	ZFQJYHBRUKJYDV-UHFFFAOYSA-N	323.312	2.357	5	40	DEBB	
CCn1cc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1	97083804	ICZFJWWQAGPXHL-UHFFFAOYSA-N	316.364	2.020	5	40	DEBB	
O=[N+]([O-])c1ccc(NC2CCS(=O)CC2)c2ccncc12	95458354	VGMRCGYEKTZVPH-UHFFFAOYSA-N	305.359	2.466	5	40	DEBB	
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2ccc(F)cc21	89392893	YBZKRGGJODMAGM-GFCCVEGCSA-N	318.308	2.275	5	40	DEBB	
Cc1ccc(N)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	36296512	ZAOIWFSLIAQUNA-UHFFFAOYSA-N	307.331	2.286	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1)C31CC1	5050263	AZAGKUWCVIURNI-NMWPEEMBSA-N	324.336	2.292	5	40	DEBB	
CCOC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2CC)C1	226314675	QJKHEWGFTHOGJQ-LLVKDONJSA-N	306.318	2.073	5	40	DEBB	
CN(Cc1ccncc1)C(=O)COc1cccc([N+](=O)[O-])c1	58158553	NMCSXJLCVMFBET-UHFFFAOYSA-N	301.302	2.027	5	40	DEBB	
Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1-n1cnnn1	36395901	CXACBMVRSPJBEZ-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](C1CC1)N1CCCC1	97376268	IYCGJFBTMZOKTG-CQSZACIVSA-N	305.334	2.113	5	40	DEBB	
CCOc1cc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])ccn1	95965123	FVUXBUMUIRWKRB-UHFFFAOYSA-N	319.292	2.458	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1nccs1	96404468	OVLWWASDOYJKJG-UHFFFAOYSA-N	314.344	2.034	5	40	DEBB	
COC(=O)c1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2C)n1	51706203	YIYUNUTXEXIUTD-UHFFFAOYSA-N	316.269	2.304	5	40	DEBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1O	32798150	AHZBAXSQWKOINY-UHFFFAOYSA-N	320.326	2.052	5	40	DEBB	
O=C(COC(=O)Cc1ccsc1)Nc1cccc([N+](=O)[O-])c1	3252247	UNGUXQSCZPWMLL-UHFFFAOYSA-N	320.326	2.381	5	40	DEBB	
CNC(=O)c1ccc(N[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1	69532766	PZCZOURTLVNZCE-AWEZNQCLSA-N	315.329	2.100	5	40	DEBB	
Cc1cc(S(=O)(=O)NCc2cccnc2)cc([N+](=O)[O-])c1C	5235059	FBSJTIKNOZBXAS-UHFFFAOYSA-N	321.358	2.085	5	40	DEBB	
CN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	9500190	NBMBPLLTKOFXOK-UHFFFAOYSA-N	321.720	2.209	5	40	DEBB	
CN(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	95469921	DHUDKGNOWYOVRD-UHFFFAOYSA-N	320.271	2.297	5	40	DEBB	
Cc1cc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c(=O)[nH]1	4248360	JGJSAKRSHCAETO-UHFFFAOYSA-N	308.677	2.464	5	40	DEBB	
O=C(Cn1nnc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1	381345	XVQAULPTDSBILZ-UHFFFAOYSA-N	309.285	2.131	5	40	DEBB	
Cc1ccc(C[C@H](C)NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1	71915548	MMLFCGRKWIYYIB-ZETCQYMHSA-N	308.363	2.357	5	40	DEBB	
CC(=O)N1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1	43149672	WFGRBMHUZUSNJG-UHFFFAOYSA-N	320.349	2.036	5	40	DEBB	
CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([N+](=O)[O-])o1	25248851	XWFJREBXBBINGG-UHFFFAOYSA-N	304.258	2.189	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nccn1C	12564254	PKXVZOZTILQACH-UHFFFAOYSA-N	322.346	2.068	5	40	DEBB	
Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O	97163853	BTFOELHINGWEDH-MRVPVSSYSA-N	319.317	2.266	5	40	DEBB	
CC1=CCN(CCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1	225562981	YBCSCYPAMSLLEP-UHFFFAOYSA-N	303.362	2.285	5	40	DEBB	
C[C@@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccsc1	80891749	URSWBBDHFZZWSQ-OAHLLOKOSA-N	320.370	2.223	5	40	DEBB	
O=[N+]([O-])c1cn[nH]c1N1CCN(Cc2ccc(Cl)cc2)CC1	32545636	SKTPBEUPVRLKEH-UHFFFAOYSA-N	321.768	2.294	5	40	DEBB	
COCc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)OC	3016363	ZULOOWGURHYWAG-UHFFFAOYSA-N	317.272	2.413	5	40	DEBB	
Cc1nc(NC[C@@H](C)O)nc(NC2CCCCC2)c1[N+](=O)[O-]	38488502	LEJIDVNCJMTNNE-SECBINFHSA-N	309.370	2.231	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cc(C)on1	23185351	QGQGHUQUKHFOOH-UHFFFAOYSA-N	305.290	2.314	5	40	DEBB	
Nc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]	5710064	MWCYKCJYCMFBLJ-UHFFFAOYSA-N	318.260	2.356	5	40	DEBB	
O=C(CN1CCCCCCC1=O)Nc1ccc(F)cc1[N+](=O)[O-]	72274404	HJZARXKSDHZFSW-UHFFFAOYSA-N	323.324	2.465	5	40	DEBB	
CN(C(=O)CN1CCc2ccc([N+](=O)[O-])cc21)c1nccs1	97374151	XCYSMLMJMJPWSZ-UHFFFAOYSA-N	318.358	2.077	5	40	DEBB	
O=[N+]([O-])c1cccc(-c2ncn(Cc3noc(C4CC4)n3)n2)c1	96482526	AFBBXSMZPVIFMN-UHFFFAOYSA-N	312.289	2.162	5	40	DEBB	
O=C(N[C@H]1C[C@H]1c1ccc(F)cc1F)c1cc([N+](=O)[O-])c[nH]1	585139837	JTBMFBQVBCKKOS-JQWIXIFHSA-N	307.256	2.487	5	40	DEBB	
Cc1ccc2c(Cn3cc([N+](=O)[O-])ccc3=O)cc(=O)oc2c1	5038969	FHDIDSVGBMEGPY-UHFFFAOYSA-N	312.281	2.220	5	40	DEBB	
O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1c1ccccc1[N+](=O)[O-]	5307964	WLIXMAWQYKXFQT-HNNXBMFYSA-N	323.308	2.488	5	40	DEBB	
COc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-]	6897784	XZSBMFSXRZOJBZ-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
O=C(CC1(O)CCCCC1)NCCc1ccc([N+](=O)[O-])cc1	73032566	JXGBAGXJXGCATP-UHFFFAOYSA-N	306.362	2.339	5	40	DEBB	
CCS(=O)(=O)c1sc(N)nc1-c1ccc([N+](=O)[O-])cc1	96533002	BOBNVHVNBXUIFS-UHFFFAOYSA-N	313.360	2.094	5	40	DEBB	
CC[C@@](Cl)([C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96520577	KPVNLJRVUUQBGA-QWRGUYRKSA-N	307.755	2.018	5	40	DEBB	
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1	35081929	UCVNMWYMIDGBFG-UHFFFAOYSA-N	308.315	2.410	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])cn(CCSC(C)(C)C)c1=O	252490415	KSXVAOLACSSBJI-UHFFFAOYSA-N	314.363	2.075	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](CCO)C1	95945507	PXEYTMQOFYHAID-JTQLQIEISA-N	312.753	2.483	5	40	DEBB	
COc1ccc(C2=NN(c3ncccc3[N+](=O)[O-])C(=O)C2)cc1	16216447	KGZIDPZVYAAXJO-UHFFFAOYSA-N	312.285	2.139	5	40	DEBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	102599066	QKRPPPVEODGOAI-PYJNHQTQSA-N	320.393	2.431	5	40	DEBB	
CCOc1cccc(N(C)C[C@@H]2CCN(C(C)=O)C2)c1[N+](=O)[O-]	95941144	CUHWMORMRJPXPS-ZDUSSCGKSA-N	321.377	2.298	5	40	DEBB	
Cn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc2cccnc21	5303621	GQKJBQDCWGYMPI-UHFFFAOYSA-N	324.296	2.094	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	100178268	JEBWFSNKIKHTIJ-BRFGJLLKSA-N	310.309	2.152	5	40	DEBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2	101615095	QKRPPPVEODGOAI-FMKGYKFTSA-N	320.393	2.431	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	100178286	JEBWFSNKIKHTIJ-MTYIDNOTSA-N	310.309	2.152	5	40	DEBB	
CCOc1cccc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1	97085487	AWJPGMKNBFPGAS-UHFFFAOYSA-N	315.285	2.345	5	40	DEBB	
COc1ccnc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1	76016626	NMLPLQSPQFCTGC-SNVBAGLBSA-N	301.302	2.489	5	40	DEBB	
O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	408619846	HZVCVTUETNCINJ-WGGGBPLMSA-N	324.336	2.148	5	40	DEBB	
O=C(O[C@@H]1CCCCNC1=O)c1ccc([N+](=O)[O-])cc1Cl	32871661	JOITUFSYNSNYCF-LLVKDONJSA-N	312.709	2.074	5	40	DEBB	
O=C1[C@@H](Sc2nncs2)CCN1c1cccc([N+](=O)[O-])c1	67428612	MDDQEOBLWZRIOO-JTQLQIEISA-N	322.371	2.344	5	40	DEBB	
O=c1nc(SCc2ccc([N+](=O)[O-])cc2)nc2ccccn12	4499774	FWENNKQYRWTGGV-UHFFFAOYSA-N	314.326	2.290	5	40	DEBB	
NC(=O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7984491	GAYVHOLGKQOANK-SECBINFHSA-N	303.240	2.068	5	40	DEBB	
C[C@H](C(=O)NCc1ccc(Cl)cc1)n1cc([N+](=O)[O-])cn1	97048008	ITWMCWKRORSRRH-SECBINFHSA-N	308.725	2.322	5	40	DEBB	
CCc1cc(N2CC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	95948157	IBDNDMQLGUXEJG-CQSZACIVSA-N	314.345	2.185	5	40	DEBB	
CCO[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	79741487	MPYLRNVZHKXZOC-ZDUSSCGKSA-N	321.377	2.059	5	40	DEBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1n[nH]c(=O)n1C	69595618	WLVFIIPPOMDOLU-UHFFFAOYSA-N	324.362	2.096	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H]1C=C[C@@H]2C12CC2	100033910	FOISCOGVUGBTCW-XUXIUFHCSA-N	310.309	2.296	5	40	DEBB	
CN(C)C(=O)[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1	6977912	GVFMEMYJHKNGMG-ZDUSSCGKSA-N	301.302	2.198	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCN(c2ccccc2)C1	29624604	MFVCSMYHUFNUOI-LBPRGKRZSA-N	301.350	2.267	5	40	DEBB	
C[C@@H](O)CNC(=O)c1cccc(Oc2ccccc2[N+](=O)[O-])c1	69975324	YIUGACFELFOIRM-LLVKDONJSA-N	316.313	2.498	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	223980687	JPHFGKSBNFSTSP-PMXAPFLYSA-N	310.309	2.152	5	40	DEBB	
CSC1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1	194004631	QJTQGVUROCJFOR-UHFFFAOYSA-N	316.404	2.159	5	40	DEBB	
C/C=C/C=C/C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	96412542	PLUZUEMGFCEAPQ-BBNTXXRWSA-N	302.334	2.135	5	40	DEBB	
O=C(c1ccccn1)N1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1	79111723	WUJYKUCUDDMEJV-GFCCVEGCSA-N	312.329	2.316	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCCC1=CCCCC1	2631743	VNGASUGICKUBFM-UHFFFAOYSA-N	322.317	2.351	5	40	DEBB	
CC(=O)c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Cl	97108184	OQUQWSSTWAXGDH-UHFFFAOYSA-N	308.681	2.426	5	40	DEBB	
CCOC(=O)C1=C(C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C	340029	FKYBSPIWAHIHNV-GFCCVEGCSA-N	319.317	2.128	5	40	DEBB	
CC(C)(O)/C=C1\Oc2ccc([N+](=O)[O-])cc2[C@H]1N1CCOCC1	13809931	AOKGEQVWVWNEPJ-BAAYTWLHSA-N	320.345	2.015	5	40	DEBB	
O=C1[C@H](n2cc([N+](=O)[O-])c(C3CC3)n2)CCN1CC(F)(F)F	195056111	MPHCSJUUWPJENF-MRVPVSSYSA-N	318.255	2.004	5	40	DEBB	
O=C1CCCC(=O)C1[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12	104843704	IHMRIJCJVADRGK-LBPRGKRZSA-N	300.314	2.467	5	40	DEBB	
COc1ncccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C	55617980	QOZLHNIOLZZYDB-UHFFFAOYSA-N	323.330	2.108	5	40	DEBB	
O=[N+]([O-])c1ccc(OCCn2cncn2)c(Br)c1	84351043	IFDFVMVRLZCDNE-UHFFFAOYSA-N	313.111	2.028	5	40	DEBB	
NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1	79097500	KZBQUZOBPDHVRY-STQMWFEESA-N	320.349	2.151	5	40	DEBB	
CNC(=O)[C@@H](Cc1ccccc1)Sc1ccc([N+](=O)[O-])cn1	97371713	VBRPVJPCVWZSOT-CYBMUJFWSA-N	317.370	2.439	5	40	DEBB	
O=C(O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	5007681	ZXWWOFJKZXYONB-FLIBITNWSA-N	302.242	2.043	5	40	DEBB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N+]1(C)CCOCC1	13305189	AFBPXWUCOGYWBU-XDNAFOTISA-N	314.490	2.302	5	40	DEBB	
O=C1COc2cc([N+](=O)[O-])ccc2N1CCOc1ccccc1	20272592	UWUBPEZMHOHCHG-UHFFFAOYSA-N	314.297	2.399	5	40	DEBB	
COc1ccc(CCNc2ncc([N+](=O)[O-])cc2N)cc1OC	4963760	BGLNCUDXVYXXOG-UHFFFAOYSA-N	318.333	2.244	5	40	DEBB	
O=C(NCCOc1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])o1	56008497	OALZXAMCYVGVFJ-UHFFFAOYSA-N	316.313	2.485	5	40	DEBB	
CC(C)CNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl	3289583	DTZNLROIBUQKGH-UHFFFAOYSA-N	314.725	2.177	5	40	DEBB	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O	3369640	CMLLWDDIURSVEJ-JTQLQIEISA-N	300.698	2.087	5	40	DEBB	in-vitro
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccco1	3523577	FICHWBSPJGYOMO-UHFFFAOYSA-N	305.242	2.411	5	40	DEBB	
CCOc1ccc(C(=O)Cn2ccsc2=N)cc1[N+](=O)[O-]	5475845	WHAIUGMAZVZKGO-UHFFFAOYSA-N	307.331	2.219	5	40	DEBB	
CN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	409194596	PXRYUYYSEGLTHG-FLIBITNWSA-N	313.269	2.377	5	40	DEBB	
O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1COc2ccccc21	89540750	CUGKTZYRMVNCNY-LLVKDONJSA-N	300.270	2.415	5	40	DEBB	
Cc1ccn(Cc2nc(-c3ccsc3)no2)c(=O)c1[N+](=O)[O-]	96472053	RNWDFORGZOJEAC-UHFFFAOYSA-N	318.314	2.225	5	40	DEBB	
CCS(=O)(=O)[C@](C)(Cl)C(=O)c1cccc([N+](=O)[O-])c1	96518355	UVWIADXAJCNASQ-NSHDSACASA-N	305.739	2.167	5	40	DEBB	
CCN(CC)CCNc1c([N+](=O)[O-])c(=O)oc2ccccc12	3896372	RRABXLZGCDIZFJ-UHFFFAOYSA-N	305.334	2.455	5	40	DEBB	
Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1	65567597	NLOJVDMPXZHPCO-UHFFFAOYSA-N	313.360	2.469	5	40	DEBB	
O=C(O)/C(=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	4661585	PURQOHQVLSHXSS-GXDHUFHOSA-N	312.281	2.450	5	40	DEBB	biogenic
Nc1c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc(F)cc1[N+](=O)[O-]	69537500	RVJONCLQVJGRFG-WCQYABFASA-N	323.324	2.100	5	40	DEBB	
CCc1nccn1S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1	9061893	YXNSTTCHXQONNR-UHFFFAOYSA-N	309.347	2.208	5	40	DEBB	
O=C(NCc1nnc(C2CC2)o1)c1cc(Cl)cc([N+](=O)[O-])c1	194007773	MXNFIAPRMDVLBG-UHFFFAOYSA-N	322.708	2.439	5	40	DEBB	
Cc1ncc([N+](=O)[O-])n1Cc1csc(-c2ncccn2)n1	69743054	CKEVMLYOZAXLFO-UHFFFAOYSA-N	302.319	2.062	5	40	DEBB	
C[C@@]1(c2ccco2)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O	47172193	LAJIOSORBWTQJC-ZDUSSCGKSA-N	321.314	2.217	5	40	DEBB	
O=[N+]([O-])c1ccc(CCS(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1	96002004	OBZCEXIDNUVHFX-KBPBESRZSA-N	324.402	2.199	5	40	DEBB	
CC[C@@H]1CN(c2ncccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O	72310211	IQACYCUPYJIURQ-CHWSQXEVSA-N	306.366	2.216	5	40	DEBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2C=CCCC2)CC1	95394189	GJGWCMHISPYOEU-HNNXBMFYSA-N	315.373	2.461	5	40	DEBB	
CCN1CCC[C@@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	32895431	JPKKOMQEHWUDCY-LLVKDONJSA-N	322.365	2.209	5	40	DEBB	
COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN(C)C2)c1	96007373	LLSQLTNLGFHIGN-LLVKDONJSA-N	307.350	2.135	5	40	DEBB	
CC(C)(CNC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccncc1	97113087	VAWYFIRUSHBPCS-UHFFFAOYSA-N	315.329	2.403	5	40	DEBB	
O=C(NC[C@H]1COC2(CCCCC2)O1)c1cccc([N+](=O)[O-])c1	4941157	ZEZSYOKCVFCNSQ-AWEZNQCLSA-N	320.345	2.400	5	40	DEBB	
Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1ccc2ccccc2c1	263881	LFJXBMAYHPIENR-UHFFFAOYSA-N	317.326	2.490	5	40	DEBB	
CCC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)O	36837663	CEQVXXHZHGDBSZ-VIFPVBQESA-N	300.698	2.231	5	40	DEBB	
CCc1cc(NCCCO)nc(-c2ccc([N+](=O)[O-])cc2)n1	64904458	VWVJESZAHZQFPJ-UHFFFAOYSA-N	302.334	2.409	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([C@H](C)O)C1	97380046	YRWFNNHIGIUSIA-NWDGAFQWSA-N	307.350	2.446	5	40	DEBB	
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1CN1CCOCC1	160419321	QLGDIOPYXYSKPW-CYBMUJFWSA-N	309.341	2.035	5	40	DEBB	
O=c1ncccn1Cc1cccc(Nc2ncccc2[N+](=O)[O-])c1	44976954	ZNIPARLTMWNFIL-UHFFFAOYSA-N	323.312	2.338	5	40	DEBB	
C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1CC1	5044188	KDAATMGIIOSCBF-ZETCQYMHSA-N	312.709	2.072	5	40	DEBB	
CS(=O)(=O)c1ccc(NCCc2ccccn2)c([N+](=O)[O-])c1	5688419	NSXMHXGWRQYQMK-UHFFFAOYSA-N	321.358	2.048	5	40	DEBB	
Cc1cc(NC[C@](C)(O)CN(C)C)c2cc([N+](=O)[O-])ccc2n1	96008539	LFRUPRBJEKWIJT-INIZCTEOSA-N	318.377	2.176	5	40	DEBB	
O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1cccs1)CC2	35588008	XWHHVRLSMGPLMR-UHFFFAOYSA-N	324.383	2.403	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	222388924	AYWZFTGIMWRJHE-GBOPCIDUSA-N	312.325	2.292	5	40	DEBB	
COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccc([N+](=O)[O-])cc1	8323331	SPITWGOMQFDCGS-ZDUSSCGKSA-N	319.317	2.080	5	40	DEBB	
CNc1ccc(CNC2CCC3(CC2)OCCO3)cc1[N+](=O)[O-]	71792531	UVESMRLNVKSCNO-UHFFFAOYSA-N	321.377	2.412	5	40	DEBB	
C[C@@H](CO)S[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	72302599	LOLHBIYVUSYDSR-JGVFFNPUSA-N	302.327	2.175	5	40	DEBB	
CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	32932293	TYQMUNVYONILLO-CHWSQXEVSA-N	305.334	2.275	5	40	DEBB	
COc1c(C(=O)N2CCOCC2)cc(C(C)C)cc1[N+](=O)[O-]	72206664	YKLBJCWEJVFONU-UHFFFAOYSA-N	308.334	2.199	5	40	DEBB	
CN1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	96268532	UTCKALYWGZHRLZ-UHFFFAOYSA-N	303.362	2.153	5	40	DEBB	
O=C1NC(=S)N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	15219867	GPVFYSDCGZVELB-YFHOEESVSA-N	315.310	2.200	5	40	DEBB	
C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	3383642	JPBYBJXXMFOKEP-RISCZKNCSA-N	320.345	2.447	5	40	DEBB	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCO1	71830327	KELRNJUVTNDNGI-HNNXBMFYSA-N	321.377	2.472	5	40	DEBB	
N[C@@H](C(=O)O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	199810905	JSRNNDZWCKQWJE-CQSZACIVSA-N	302.286	2.258	5	40	DEBB	
C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	3383637	JPBYBJXXMFOKEP-BXUZGUMPSA-N	320.345	2.447	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)c1	102970039	RISXEBLJZJBHLM-SDDRHHMPSA-N	310.375	2.309	5	40	DEBB	
Cc1cccc(OC[C@H](O)CNc2ncccc2[N+](=O)[O-])c1	58434982	XQTZCSVLCIRTDZ-GFCCVEGCSA-N	303.318	2.150	5	40	DEBB	
CCCn1c(=O)n(C)c(=O)c2c3nc4ccccc4c(C)c3[nH]c21	7778787	IELQYJWPSOXVCT-UHFFFAOYSA-N	322.368	2.448	5	40	DEBB	
CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cscn2)s1	97083841	ARPPFMKUMYECMR-UHFFFAOYSA-N	319.389	2.128	5	40	DEBB	
O=[N+]([O-])c1cnc(N(CCO)Cc2cccnc2)c(Cl)c1	74767152	HVHCRYMJJVXENV-UHFFFAOYSA-N	308.725	2.037	5	40	DEBB	
CC(=O)OCCn1c(=O)c2ccccc2c2ccccc2c1=O	110463	UMRKDGBXQZEGOG-UHFFFAOYSA-N	309.321	2.078	5	40	DEBB	
CCC(CC)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	4903715	UYLASXURABJRQU-UHFFFAOYSA-N	321.377	2.350	5	40	DEBB	
COc1cc(NCC(=O)NCc2ccco2)c([N+](=O)[O-])cc1F	95411817	FXOLSFDRAZVIPY-UHFFFAOYSA-N	323.280	2.064	5	40	DEBB	
CCc1nnc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C	95985979	YGXXKLYSHUSTOU-NSHDSACASA-N	303.366	2.445	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@H](O)COCc2ccccc2Cl)c1	95438799	HGVWHNKPAZIGQS-LBPRGKRZSA-N	311.725	2.022	5	40	DEBB	
O=C(C1CC1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1	4120638	NJKLXGHGQGBFMS-UHFFFAOYSA-N	305.359	2.436	5	40	DEBB	
CCOc1ncccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1	30309361	HBZJJHUYFQEGIY-UHFFFAOYSA-N	315.329	2.247	5	40	DEBB	
Cc1n[nH]c(SCC(=O)Nc2cccc(O)c2)c1[N+](=O)[O-]	6382101	FKRDKPYPMZIIGF-UHFFFAOYSA-N	308.319	2.063	5	40	DEBB	
CCOC(=O)CN1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1	72308613	AEFOEOMFXDIWRB-UHFFFAOYSA-N	319.361	2.138	5	40	DEBB	
COc1cc(N[C@H]2CCN(c3cnn(C)c3)C2)ccc1[N+](=O)[O-]	84318582	HBFKVSLUSCTCLF-LBPRGKRZSA-N	317.349	2.028	5	40	DEBB	
CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+](C)(C)C)cc1	41690074	VSOWAMGNCDSAJF-MRXNPFEDSA-N	310.458	2.447	5	40	DEBB	
CS[C@H]1CCC[C@H]1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	72896427	WPKPBRVICVSWIX-OCCSQVGLSA-N	323.418	2.410	5	40	DEBB	
CC(C)(C)OCCn1cc(Br)cc([N+](=O)[O-])c1=O	96488995	NJNCZBUTMIDWBG-UHFFFAOYSA-N	319.155	2.334	5	40	DEBB	
Cc1ccc(C(=O)Nc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-]	69511673	VASMQAUTMHXGQV-UHFFFAOYSA-N	324.296	2.392	5	40	DEBB	
CCOc1cccc(N[C@@H]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-]	97140725	LOZVSFDOACJJPY-GHMZBOCLSA-N	307.350	2.450	5	40	DEBB	
COc1ccc2nc(SCCn3ccc([N+](=O)[O-])n3)[nH]c2c1	96450915	BIUOOPFLGRUEMW-UHFFFAOYSA-N	319.346	2.469	5	40	DEBB	
CC(C)(C)NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1	3311421	CXUPBYIYHCMFKC-BQYQJAHWSA-N	306.318	2.066	5	40	DEBB	
C[C@H](NC(=O)CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H]2CC[C@@H]1C2	101997959	OORRNYREZRRNPB-UMSGYPCISA-N	306.366	2.122	5	40	DEBB	
Cc1ccc2nc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cn2c1	57267821	PWFRSGCSCDOIOI-UHFFFAOYSA-N	324.340	2.410	5	40	DEBB	
CCOc1cc(C=O)ccc1OCCn1c([N+](=O)[O-])cnc1C	3374703	YPVWNZIPADCUIV-UHFFFAOYSA-N	319.317	2.390	5	40	DEBB	
CC[C@@](Cl)(C(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96518395	ZCBAPCCYUWBHNC-NSHDSACASA-N	305.739	2.167	5	40	DEBB	
Cc1nccn1CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	40555826	SAKWZWUIIYQLFJ-VOTSOKGWSA-N	314.345	2.319	5	40	DEBB	
C[N+](C)(C)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1	1899887	DWQGGBPHBPPMCI-GOSISDBHSA-N	306.426	2.314	5	40	DEBB	
C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	3383639	JPBYBJXXMFOKEP-FZMZJTMJSA-N	320.345	2.447	5	40	DEBB	
CN(C)c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cn1	32298833	LAOKYIAZJXUGFS-UHFFFAOYSA-N	316.317	2.073	5	40	DEBB	
Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	4310082	QXUCKAQNPSJPTF-DMDPSCGWSA-N	310.375	2.370	5	40	DEBB	
C[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C	96001996	TVXITAAWKGWQBE-NWDGAFQWSA-N	312.391	2.197	5	40	DEBB	
CC[C@](Cl)([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	96520691	SEESPORKPZPMFG-NWDGAFQWSA-N	321.782	2.408	5	40	DEBB	
O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	10326765	VPAXMEUKYHBZFT-UHFFFAOYSA-N	319.248	2.017	5	40	DEBB	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Cl)ccc1Cl	197094	ZAMJKTOZJQQXHV-UHFFFAOYSA-N	316.104	2.132	5	40	DEBB	
COc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1	32779605	VRGWQDURNZJGNH-RNCFNFMXSA-N	309.322	2.292	5	40	DEBB	
Cn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccncc1	36801571	GUZINDKLCRITMY-UHFFFAOYSA-N	314.330	2.332	5	40	DEBB	
COC(=O)CCNC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1	12856624	LPSIDFDNJZSNMC-UHFFFAOYSA-N	317.754	2.098	5	40	DEBB	
CCc1nc2c(s1)[C@H](NCCn1cc([N+](=O)[O-])cn1)CCC2	90539988	LQVAHYJGHHISAE-LLVKDONJSA-N	321.406	2.477	5	40	DEBB	
COc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)nn1C	79358276	YMEYRCWBBRNATL-BQYQJAHWSA-N	316.317	2.297	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])cn(C/C=C/c2ccccc2)c1=O	43929426	KMHOJSNQHLXBKM-VMPITWQZSA-N	314.297	2.257	5	40	DEBB	
O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1	4941201	UMVRUPQIOZUBCN-CQSZACIVSA-N	320.345	2.400	5	40	DEBB	
COc1ccccc1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-]	7981352	NKMQXDXQWIVJLB-UHFFFAOYSA-N	315.329	2.357	5	40	DEBB	
CCn1c(Cn2cccc([N+](=O)[O-])c2=O)nc2cc(F)ccc21	75582507	LGEZHTWIFFDGPR-UHFFFAOYSA-N	316.292	2.314	5	40	DEBB	
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ccnc2)nc1	40498658	XIERCNCAFYZDRZ-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
O=C(Nc1ccccn1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	294086	VJKJFZUYLPRBJR-UHFFFAOYSA-N	311.253	2.349	5	40	DEBB	
C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4806490	VPTURLFCUVSXGA-CBAPKCEASA-N	312.709	2.386	5	40	DEBB	
CC(=O)c1ccc(N2CCC[C@@H]2c2nc[nH]n2)c([N+](=O)[O-])c1	521395214	AWUMANVZJLFJAB-GFCCVEGCSA-N	301.306	2.257	5	40	DEBB	
O=[N+]([O-])c1cccnc1N[C@H](CO)Cc1c[nH]c2ccccc12	96424076	YHBTUAZOYRUNDS-LBPRGKRZSA-N	312.329	2.487	5	40	DEBB	
Cc1csc(=O)n1CCC(=O)OCc1ccc([N+](=O)[O-])cc1	6607363	CRCBLUAYVZMZCG-UHFFFAOYSA-N	322.342	2.260	5	40	DEBB	
O=C(O[C@@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1Cl	32871651	QQJOLNDIXDPPMX-LLVKDONJSA-N	312.709	2.074	5	40	DEBB	
O=[N+]([O-])c1cnc(N[C@@H](CCO)C2CCOCC2)c(Cl)c1	95943017	PSZGTHVFRPNPBP-LBPRGKRZSA-N	315.757	2.233	5	40	DEBB	
Cc1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])cc1	92142	XKZJPKKNPZIAMY-UHFFFAOYSA-N	321.310	2.434	5	40	DEBB	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1	6851038	JPHNUNDBIZCGGU-XHDPSFHLSA-N	300.314	2.447	5	40	DEBB	
Cc1cc(C(=O)OCC(=O)NC2CCCC2)ccc1[N+](=O)[O-]	7532708	UXVKDFGCGGUOFU-UHFFFAOYSA-N	306.318	2.119	5	40	DEBB	
Cc1csc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)n1	10647300	SWNNMLNNAGDCPE-UHFFFAOYSA-N	321.314	2.155	5	40	DEBB	
O=[N+]([O-])c1ncn(Cc2csc(Cc3ccccc3)n2)n1	53836162	ZYXUEWCEAPEDPK-UHFFFAOYSA-N	301.331	2.282	5	40	DEBB	
CNc1ccc(C(=O)Nn2cnc3ccccc32)cc1[N+](=O)[O-]	12587208	QVZBAQBQDATYQK-UHFFFAOYSA-N	311.301	2.370	5	40	DEBB	
NC(=O)[C@@H]1CCCCC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-]	96489040	RDWCJJQVVIHWNG-ZJUUUORDSA-N	312.757	2.489	5	40	DEBB	
O=c1nc2n(-c3ccccc3F)c3ccccc3cc-2c(=O)[nH]1	71636	XDFIXMHMGGPGTI-UHFFFAOYSA-N	307.284	2.318	5	40	DEBB	
Cc1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1O	32845464	IWIFGOZHLZGAML-UHFFFAOYSA-N	315.329	2.451	5	40	DEBB	
O=[N+]([O-])c1ccc(N2N=N[C@H]3CCC[C@]32N2CCOCC2)cc1	20414183	ODAVCVHDXPHEQW-LSDHHAIUSA-N	317.349	2.363	5	40	DEBB	
CC1(C)CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1	58407726	DROMVZWWOACDIK-UHFFFAOYSA-N	303.318	2.327	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(-c2ncccn2)c1	72291549	XNJJYQGGSUFURA-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
Cc1cc(NC(=O)N[C@H]2CCCn3ncnc32)ccc1[N+](=O)[O-]	97163030	JIAHDSAASHPZRI-NSHDSACASA-N	316.321	2.151	5	40	DEBB	
CCCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1	78773532	UPSGDILVQYZDGE-UHFFFAOYSA-N	304.306	2.104	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])o1	4070852	IDMVTWYMAYFEAO-UHFFFAOYSA-N	307.218	2.357	5	40	DEBB	
O=C(COC(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1	3398846	QFNPQEJQXOAWLI-UHFFFAOYSA-N	300.270	2.390	5	40	DEBB	
Cc1nnc(SCc2cc([N+](=O)[O-])ccc2OC(C)C)n1N	71803662	JWDYRLSUMQLEMU-UHFFFAOYSA-N	323.378	2.288	5	40	DEBB	
Cc1ccc2c(c1)[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])CO2	97050671	UIRTXUQFIVKPLQ-GFCCVEGCSA-N	313.313	2.349	5	40	DEBB	
CCc1cc2c(=O)[nH]c(Cc3ccc([N+](=O)[O-])cn3)nc2s1	97235793	FLVRPELDXIZJQR-UHFFFAOYSA-N	316.342	2.441	5	40	DEBB	
O=C(CCC(=O)[C@@H]1CCCC1=O)Nc1cccc([N+](=O)[O-])c1	31817357	FUJVYOCHRWIEKH-GFCCVEGCSA-N	304.302	2.252	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNc1ccccc1	35686035	PQSHVIGZMUOYML-UHFFFAOYSA-N	307.331	2.209	5	40	DEBB	
O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	222259107	JEBWFSNKIKHTIJ-HXQJMZMJSA-N	310.309	2.152	5	40	DEBB	
CCOc1cccc(N2CCC[C@H](NC(C)=O)C2)c1[N+](=O)[O-]	96502653	MKSMGNQKULXGAD-LBPRGKRZSA-N	307.350	2.098	5	40	DEBB	
CCN(CC)CCOC(=O)c1noc2cc([N+](=O)[O-])ccc12	1670688	SAPHHEAGRUSZJW-UHFFFAOYSA-N	307.306	2.235	5	40	DEBB	
COc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1[N+](=O)[O-]	22418846	GMLFJPSWJRRBFN-UHFFFAOYSA-N	316.317	2.317	5	40	DEBB	
COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	5720557	DYGOIOAWLLYZNW-UHFFFAOYSA-N	309.299	2.371	5	40	DEBB	
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1	89801998	CCHAEOCJEXDDQD-HIFRSBDPSA-N	321.377	2.455	5	40	DEBB	
O=C1[C@@H](n2cc([N+](=O)[O-])c(C3CC3)n2)CCN1CC(F)(F)F	195056121	MPHCSJUUWPJENF-QMMMGPOBSA-N	318.255	2.004	5	40	DEBB	
Cn1c(=NC(=O)c2ccc([N+](=O)[O-])o2)sc2ccccc21	252429281	RTMPNWWZBLFQAO-UHFFFAOYSA-N	303.299	2.482	5	40	DEBB	
Cc1occc1CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]	57010802	WDCSUGURWCQEME-UHFFFAOYSA-N	310.331	2.317	5	40	DEBB	
CC1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	7077849	OWFATDSSBMYYPL-UHFFFAOYSA-N	305.378	2.447	5	40	DEBB	
CC1(C)C[C@@]2(C)C[C@H]1C[C@@H]2NC(=O)CC[N+]1(C)CCOCC1	100499732	VQORVKOBAJQQRB-RVKKMQEKSA-O	309.474	2.184	5	40	DEBB	
NC1=Nc2nc3ccccc3n2[C@H](c2ccccc2[N+](=O)[O-])N1	3170617	ZHOOKLKZVVOBLY-CYBMUJFWSA-N	308.301	2.041	5	40	DEBB	
COC(=O)[C@H]1CCCCN1C(=O)c1cccc(C)c1[N+](=O)[O-]	12768280	FJYNKFQXLLRPBE-GFCCVEGCSA-N	306.318	2.071	5	40	DEBB	
Cc1nc(CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1	97095513	LRAADWIPXPAFIU-UHFFFAOYSA-N	323.740	2.037	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccn(C)c1	81508775	OASDLRQMWFFZTO-UHFFFAOYSA-N	304.306	2.264	5	40	DEBB	
COc1ccc(NC(=O)CSc2ncccn2)c([N+](=O)[O-])c1	6381616	CKSFYFZDXGOYPJ-UHFFFAOYSA-N	320.330	2.124	5	40	DEBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2ccco2)cc1[N+](=O)[O-]	8560907	WINAQHFUDRBRNA-UHFFFAOYSA-N	307.218	2.357	5	40	DEBB	
O=[N+]([O-])c1cccnc1NC1CCN(Cc2ccccn2)CC1	48300489	UHFVXIBQLUTMIN-UHFFFAOYSA-N	313.361	2.461	5	40	DEBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C(N)=O)CC1	69568182	QUYISCVMDIWZQP-UHFFFAOYSA-N	321.377	2.079	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H](O)C(F)(F)F	69900476	BBDCJOOKCGDLGJ-SNVBAGLBSA-N	322.239	2.107	5	40	DEBB	
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)c1	97082457	BSCLJVYLPKHWOA-CYBMUJFWSA-N	319.361	2.056	5	40	DEBB	
CCOc1cccc(N2CCC(c3nc[nH]n3)CC2)c1[N+](=O)[O-]	95941135	RPKJVQBDNULMKC-UHFFFAOYSA-N	317.349	2.496	5	40	DEBB	
Cc1cc2c(c(=O)n1C)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)O2	524734872	SDZZRKCETKNTLS-NSHDSACASA-N	314.297	2.043	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C=C[C@@H]2C12CC2	100411469	AZAGKUWCVIURNI-AJNGGQMLSA-N	324.336	2.292	5	40	DEBB	
CC(=O)OC(OC(C)=O)c1cc([N+](=O)[O-])ccc1OC(F)F	3273170	KGKWXBNQZIKDNK-UHFFFAOYSA-N	319.216	2.321	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@]2(CCCOC2)C1	80106048	ZCMWTPDGEHEXFG-INIZCTEOSA-N	320.345	2.333	5	40	DEBB	
CN(Cc1nccn1C(F)F)C(=O)c1ccc([N+](=O)[O-])cc1	29181239	MSMDTEWZVRUDBD-UHFFFAOYSA-N	310.260	2.459	5	40	DEBB	
COC(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1	75137878	JUASFDLWMSXBNU-LBPRGKRZSA-N	309.322	2.304	5	40	DEBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1	2617135	DDHQGVQORIUKOC-HNNXBMFYSA-N	315.281	2.478	5	40	DEBB	
COC(=O)Cn1nc(C)c(CNc2ccccc2[N+](=O)[O-])c1C	95455247	BXUOTXRLEPBEGV-UHFFFAOYSA-N	318.333	2.193	5	40	DEBB	
CN1C=C(C(=O)NCCC[N+]2(C)CCCCC2)C=C/C1=C/N=O	38183024	NRTGDCNSYRINDV-SSZFMOIBSA-O	319.429	2.117	5	40	DEBB	
COc1ccc(C)nc1NC(=O)Cc1cccc([N+](=O)[O-])c1	78972523	QWFPFUFCPFJPGU-UHFFFAOYSA-N	301.302	2.488	5	40	DEBB	
C[C@@H]1CC[C@H]2[C@H](C[N+](C)(C)C)C(=O)O[C@]23[C@@H]1CC[C@@]1(C)O[C@H]13	17251613	SNGWWISTWVXYJT-DINPIGOHSA-N	308.442	2.218	5	40	DEBB	
Cc1noc([C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n1	54661550	PMNKZYUMBZKKMY-LLVKDONJSA-N	316.317	2.306	5	40	DEBB	
Cc1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1	48302598	CJYVAPKUXSWMAX-UHFFFAOYSA-N	308.315	2.494	5	40	DEBB	
Cc1cc(CS(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)no1	92865564	POAFCLVMNBINGH-UHFFFAOYSA-N	311.319	2.142	5	40	DEBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(C2CC2)C1=O	96486774	WDKFJUNTKRYFAC-CQSZACIVSA-N	323.780	2.443	5	40	DEBB	
CCn1ncc([N+](=O)[O-])c1C(=O)NC1C2CC3CC(C2)CC1C3	371514	NPQJUYQWIQJLCZ-UHFFFAOYSA-N	318.377	2.366	5	40	DEBB	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc(Cl)cc1	15611611	VSHXHYCNBZRWQG-MRVPVSSYSA-N	321.720	2.428	5	40	DEBB	
Cc1nn(CC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1[N+](=O)[O-]	9498015	XHALZXKITZPSCP-UHFFFAOYSA-N	321.337	2.332	5	40	DEBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1N1CCOCC1	3897505	XEBFGXIHNRNKKM-UHFFFAOYSA-N	303.274	2.493	5	40	DEBB	
O=C(NCCCN1CCCC1)c1ccc([N+](=O)[O-])cc1Cl	7924062	BAHZGKTVABSPOX-UHFFFAOYSA-N	311.769	2.464	5	40	DEBB	
Cc1c([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nn1C	102596317	FNGDPHYAAHYWBE-NUGNTBJXSA-N	306.366	2.191	5	40	DEBB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1	522953	QSHKTBDMMZWCKB-CYBMUJFWSA-N	319.317	2.174	5	40	DEBB	
C[C@@H](Cn1ccnc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	47265010	RMGINTIVICNBJK-FYJFLYSWSA-N	300.318	2.009	5	40	DEBB	
O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(F)cc1	998292	FDDBIRAIZGWDBT-UHFFFAOYSA-N	304.277	2.429	5	40	DEBB	
C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])C(=O)NCC(F)(F)F	57139685	XJULSIALBOXKGY-ZCFIWIBFSA-N	309.219	2.213	5	40	DEBB	
C[C@@H]1CC[C@H]2[C@@H](C[N+](C)(C)C)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@H]13	12865831	SNGWWISTWVXYJT-REMDBXRQSA-N	308.442	2.218	5	40	DEBB	biogenic
CC(C)n1cnnc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	71847115	OZHBFFRVWKWRPR-UHFFFAOYSA-N	323.740	2.351	5	40	DEBB	
Cc1[nH]c2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2c1C	95978387	PLSVTEHIZDBWDA-UHFFFAOYSA-N	313.317	2.346	5	40	DEBB	
COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1	89537019	LCRUDLKIBINMRV-UHFFFAOYSA-N	301.302	2.488	5	40	DEBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc[nH]c1=O	58363167	BSYMVGPLZFADMO-UHFFFAOYSA-N	305.315	2.014	5	40	DEBB	
O=C(C[S@@](=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1	74955	NUHKGVWIJOCTHB-NRFANRHFSA-N	305.311	2.308	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O	6278554	SWWHVVWCZKZCHG-OAACRXHESA-N	316.313	2.365	5	40	DEBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1	102568780	WEGIZRZHRSLDFI-QCNOEVLYSA-N	306.366	2.366	5	40	DEBB	
Cc1cc(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)on1	48717461	DCASCDVRBUUCBY-UHFFFAOYSA-N	310.331	2.315	5	40	DEBB	
O=C1O[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc21	4291940	NTGUTOODNPWIGI-CQSZACIVSA-N	312.281	2.315	5	40	DEBB	
O=[N+]([O-])c1ccc2c(c1)N(Cn1cc([N+](=O)[O-])cn1)CCC2	69922230	YIWQVJPCCLTYQY-UHFFFAOYSA-N	303.278	2.110	5	40	DEBB	
Cc1cc(N)nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1	7048219	CSHVZVOIDWMIOY-UHFFFAOYSA-N	319.346	2.006	5	40	DEBB	
CCOC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@@H](C)C1	68873493	MYEYCTIXSCBCHF-QWRGUYRKSA-N	308.334	2.385	5	40	DEBB	
CC(C)C(=O)NCCCNc1c([N+](=O)[O-])ccc2c1CCN2	225513421	BRIOCWJWEIHYSI-UHFFFAOYSA-N	306.366	2.137	5	40	DEBB	
Cc1noc(C)c1CN1C(=O)COc2ccc([N+](=O)[O-])cc21	94992577	ZAOJEJYFLLJLCA-UHFFFAOYSA-N	303.274	2.125	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccco1	16086289	QQRFHCQNIRLULT-UHFFFAOYSA-N	310.331	2.317	5	40	DEBB	
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc[nH]c1=S	10433533	XESVDJFVFKVVOC-UHFFFAOYSA-N	318.358	2.494	5	40	DEBB	
C[C@@H](NC(=O)N[C@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1	78940521	WIHAAWHYYUBSLI-GHMZBOCLSA-N	317.349	2.450	5	40	DEBB	
COc1c(Br)cc2c(O)ncnc2c1[N+](=O)[O-]	888088106	DGMICMCFJRMDCG-UHFFFAOYSA-N	300.068	2.015	5	40	DEBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(NN2CCCCC2)c([N+](=O)[O-])c1	104139034	NWHYKFIEQDIMRV-UHFFFAOYSA-N	311.254	2.224	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1NCCCc1nc2ccccc2n1C	76093066	MOKYCDHLVRBCBO-UHFFFAOYSA-N	314.349	2.260	5	40	DEBB	
Cc1cccc2c1OC[C@H](Nc1ccnc(O)c1[N+](=O)[O-])C2	585142012	LTASHYXHLLSFEC-LLVKDONJSA-N	301.302	2.419	5	40	DEBB	
C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc([N+](=O)[O-])o1	3232476	QWUVRJJHNUXXTL-NXEZZACHSA-N	310.306	2.134	5	40	DEBB	
CC(=O)Nc1nnc(Sc2ncc([N+](=O)[O-])cc2C)s1	92650379	ILZVILXKKKBGLK-UHFFFAOYSA-N	311.348	2.259	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC1CCCCC1	5816324	XSCHFPIPJGBFKJ-UHFFFAOYSA-N	307.306	2.494	5	40	DEBB	
COc1ccc(C(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-]	40074567	NFEFESBEQBFROH-UHFFFAOYSA-N	321.377	2.209	5	40	DEBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2ccccc2C1	175979	OFCQHSXIWRHXFF-UHFFFAOYSA-N	318.354	2.342	5	40	DEBB	
Cc1ccc(OC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1	5165238	XQJHUQOPRRIXAJ-UHFFFAOYSA-N	318.310	2.431	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(Cl)cn1	6243468	DYSKUWYTCUQVBS-UHFFFAOYSA-N	317.688	2.439	5	40	DEBB	
Cc1nn(CC(=O)N2CC[C@H]3CCCC[C@H]3C2)c(C)c1[N+](=O)[O-]	8132775	UHINTQXPCIXAJP-KGLIPLIRSA-N	320.393	2.447	5	40	DEBB	
O=[N+]([O-])c1cnn(CN2CCO[C@H](c3ccccc3Cl)C2)c1	71800027	GQZLPWARPCOXFZ-AWEZNQCLSA-N	322.752	2.476	5	40	DEBB	
CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC	84721476	REQGIEZEWQJGEA-RDDDGLTNSA-N	314.363	2.282	5	40	DEBB	
O=[N+]([O-])c1cccc(Cn2c(NCCO)nc3ccccc32)c1	5269268	DJWABMAVJMWMKW-UHFFFAOYSA-N	312.329	2.397	5	40	DEBB	
CN(Cc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	5525320	BGDRFYQHJMEHHM-UHFFFAOYSA-N	306.343	2.416	5	40	DEBB	
CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1	13810743	NMPJHBWWZAHGEY-NXEZZACHSA-N	308.386	2.414	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1Sc1nc(-c2ccccc2)n[nH]1	12577435	IPSNUZLMZXRZLE-UHFFFAOYSA-N	302.319	2.265	5	40	DEBB	
COc1ccccc1[C@@H](C)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1	25113904	VUYHFZRTAVDPET-LLVKDONJSA-N	318.333	2.020	5	40	DEBB	
O=[N+]([O-])c1ncn(Cc2ccn(-c3ccc(Cl)cc3)n2)n1	186022788	ACQUVJWHQVTPJF-UHFFFAOYSA-N	304.697	2.074	5	40	DEBB	
C[C@@H](CCN1CCCC1=O)Nc1ncc([N+](=O)[O-])cc1Cl	96412885	XEDNRIWEFNPBBN-VIFPVBQESA-N	312.757	2.456	5	40	DEBB	
C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])C1	3502526	JRPLBVJAMMYFSS-RYUDHWBXSA-N	320.345	2.256	5	40	DEBB	
CCO[N+]([O-])(OCC)N(C)CP(=O)(OCC)OCC	2427520	JFZKRCVNMPJCNS-UHFFFAOYSA-N	300.292	2.274	5	40	DEBB	
Cc1c([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cnn1C	25005767	WOLGRKQPRNTGBY-JTQLQIEISA-N	302.334	2.057	5	40	DEBB	
Cc1cc(C)n(-c2ccccc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	44490607	OJUZQZGRZAEKIZ-BXUZGUMPSA-N	300.318	2.093	5	40	DEBB	
O=C([C@@H]1CCCn2ccnc21)N1CCc2ccc([N+](=O)[O-])cc21	72310055	INYCTRIZBRDNDI-CYBMUJFWSA-N	312.329	2.258	5	40	DEBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@@H]1O	72301318	OEUVFQSHXHUZOE-WDMOLILDSA-N	324.402	2.353	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-]	169617923	CELZKNVTSCTQFY-DTHCGKTHSA-N	324.336	2.461	5	40	DEBB	
O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCC[C@@H](O)C2)c1	3326962	ZXVCXPKLMITRPK-SECBINFHSA-N	315.782	2.402	5	40	DEBB	
COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc([N+](=O)[O-])cc1	8323332	SPITWGOMQFDCGS-CYBMUJFWSA-N	319.317	2.080	5	40	DEBB	
CCc1cnc(CNc2cc([N+](=O)[O-])ccc2NCCO)o1	95414806	HZWYHIIQBIXMLT-UHFFFAOYSA-N	306.322	2.162	5	40	DEBB	
CCc1cc(N2CC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	65611389	IBDNDMQLGUXEJG-AWEZNQCLSA-N	314.345	2.185	5	40	DEBB	
O=C(CCC(=O)N1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1	135800	SRCVNPLIWDPFON-UHFFFAOYSA-N	309.297	2.075	5	40	DEBB	
Cc1c(NC(=O)N(C)CC(=O)NC(C)(C)C)cccc1[N+](=O)[O-]	43347762	GVIAPLGRPHLNJK-UHFFFAOYSA-N	322.365	2.282	5	40	DEBB	
COc1cc(NC(=O)COC(=O)[C@@H]2C[C@H]2C)c(C)cc1[N+](=O)[O-]	4863577	MBRFPNBXBTUSRI-PSASIEDQSA-N	322.317	2.050	5	40	DEBB	
C[C@H](Oc1cccnc1[N+](=O)[O-])c1nc2ccccc2c(=O)[nH]1	7243922	QDCRQNPOOFONCI-VIFPVBQESA-N	312.285	2.366	5	40	DEBB	
O=c1ccn(Cc2cc(Cl)cc3c2OCOC3)cc1[N+](=O)[O-]	95412973	JMRZANKZDYBDLB-UHFFFAOYSA-N	322.704	2.325	5	40	DEBB	
Cc1cnc(N2CCC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1	98016315	KNARGSGNIIVLGJ-LLVKDONJSA-N	305.256	2.192	5	40	DEBB	
C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	3383633	JPBYBJXXMFOKEP-SMDDNHRTSA-N	320.345	2.447	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1cc(C)on1	8328962	OAHLWCFCJJNMGW-VIFPVBQESA-N	321.289	2.306	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC1=NS(=O)(=O)c2ccccc21	4342378	RYSJBKDAXYXEBL-UHFFFAOYSA-N	317.326	2.464	5	40	DEBB	
CCC1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCOCC1	95408020	CKPKRXNYFDWLJA-UHFFFAOYSA-N	307.350	2.114	5	40	DEBB	
CC[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2	103899505	HKFMCZVBOTVKDM-BPYPNEQRSA-N	318.437	2.466	5	40	DEBB	
O=C(NC[C@H]1CCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	6250646	SNVFQJJVXUPCPK-GFCCVEGCSA-N	305.334	2.078	5	40	DEBB	
O=C(CSc1ncnc2nc[nH]c12)c1ccc([N+](=O)[O-])cc1	18223231	CRBPODSPLROFQW-UHFFFAOYSA-N	315.314	2.236	5	40	DEBB	
Cc1[nH]nc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-]	84019441	XBPGYXFNTVBYON-CYBMUJFWSA-N	314.345	2.474	5	40	DEBB	
Cc1nonc1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	71911456	VUHSRQHNURUESS-VIFPVBQESA-N	322.346	2.083	5	40	DEBB	
COc1ccc(-c2noc([C@@H](C)n3cc([N+](=O)[O-])cn3)n2)cc1	97047994	VOTAMDCBZWTUBK-SECBINFHSA-N	315.289	2.459	5	40	DEBB	
O=C(NC[C@@H](O)c1ccncc1)c1ccc([N+](=O)[O-])c(Cl)c1	97162562	SAYLRUGLARRUII-CYBMUJFWSA-N	321.720	2.107	5	40	DEBB	
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1	95417785	AZYKOCRDTNBZMY-ZYHUDNBSSA-N	304.302	2.430	5	40	DEBB	
Cc1cc(S(=O)(=O)Nc2ncccc2F)ccc1[N+](=O)[O-]	180265298	FRDHRSLSPSMIQP-UHFFFAOYSA-N	311.294	2.238	5	40	DEBB	
CCOC(=O)C(=O)Cc1c(Br)cccc1[N+](=O)[O-]	90462137	PMPDZGIUYJJZHL-UHFFFAOYSA-N	316.107	2.032	5	40	DEBB	
O=[N+]([O-])c1ncn(Cc2csc(-c3ccc(F)cc3)n2)n1	53835272	KURYHEFHKAWELV-UHFFFAOYSA-N	305.294	2.497	5	40	DEBB	
C[C@H](Cn1cccn1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	31391270	ZHBMDSWUDITAOI-SECBINFHSA-N	308.725	2.263	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4ccccn34)C2)nc1	22058735	JRWDHZAOELKMJH-GFCCVEGCSA-N	324.344	2.417	5	40	DEBB	
COCCCNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1	4306002	AEYPQFYJZZSTFX-UHFFFAOYSA-N	324.385	2.160	5	40	DEBB	
O=c1c([N+](=O)[O-])c(N(CC2CC2)CC2CC2)nc2ccccn12	69952002	VYHNUHOKIPTZBF-UHFFFAOYSA-N	314.345	2.229	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCc3[nH]nc(C(F)(F)F)c3C2)nc1	71922338	JPJQSMWZYPZZTE-UHFFFAOYSA-N	313.239	2.294	5	40	DEBB	
Cn1c(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cccc1=O	97047030	XSDVIIIPVUBNNX-UHFFFAOYSA-N	322.704	2.304	5	40	DEBB	
C[C@@H](C1CC1)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	78723322	AITKGEDEWDUMQC-NSHDSACASA-N	303.362	2.214	5	40	DEBB	
COc1ccc(C)c(NCCn2cc([N+](=O)[O-])ccc2=O)c1	97375865	SDKPBESYRVJCPU-UHFFFAOYSA-N	303.318	2.186	5	40	DEBB	
O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1	4941202	UMVRUPQIOZUBCN-AWEZNQCLSA-N	320.345	2.400	5	40	DEBB	
COc1ccc(NC(=O)NCC(C)(C)CN(C)C)c([N+](=O)[O-])c1	32895428	LHSSQCCBJZMYGC-UHFFFAOYSA-N	324.381	2.313	5	40	DEBB	
COc1ccc(C(=O)O)cc1NC(=O)c1ccc([N+](=O)[O-])o1	20139727	KBWGGMZQTLJSCE-UHFFFAOYSA-N	306.230	2.147	5	40	DEBB	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	44347995	LRZRPHCGXWLJKS-YWVKMMECSA-N	305.359	2.481	5	40	DEBB	
Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1[N+](=O)[O-]	4611967	MOUKOXCKWBXEKL-OAACRXHESA-N	316.313	2.365	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cn[nH]c1C	97142186	AKEIHCGLERNYBH-UHFFFAOYSA-N	310.335	2.044	5	40	DEBB	
O=C(NCCNCc1ccccc1[N+](=O)[O-])c1ccccc1F	78394141	QZZOAIQAECLYOG-UHFFFAOYSA-N	317.320	2.254	5	40	DEBB	
CC[C@H](C)[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	96487408	WYXFOVNRPRWGQZ-UFBFGSQYSA-N	300.742	2.385	5	40	DEBB	
C[C@@H](NCC1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1	90883039	HWURWBLDWDXOGZ-LLVKDONJSA-N	312.391	2.070	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)C1	36576574	JECVOHGLNGYZSU-NFAWXSAZSA-N	308.378	2.312	5	40	DEBB	
CCCc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1	120044141	DICIOWAZPVBCEW-UHFFFAOYSA-N	316.364	2.133	5	40	DEBB	
C[N+]1(CCC[N+]2(C)C[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2)CCOCC1	13099038	JMKKOXFXRSJPNL-ARRBULDWSA-N	306.494	2.142	5	40	DEBB	in-vitro
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2ccn[nH]2)C1	89809672	UYWHWHIYBWMWDK-NSHDSACASA-N	300.318	2.338	5	40	DEBB	
O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccnc1	5257541	SSGRUUFQGQBOCS-UHFFFAOYSA-N	301.258	2.013	5	40	DEBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCc2ccccc21	65711488	RNYOWETZKPYRSS-UHFFFAOYSA-N	300.318	2.079	5	40	DEBB	
CC(C)(C)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F	183075546	WWPDYEFPABHRJD-SSDOTTSWSA-N	308.260	2.415	5	40	DEBB	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1	72605807	ZRKPVRRHROONNE-ZNMIVQPWSA-N	324.425	2.347	5	40	DEBB	
Cc1ccc(NC(=O)CSc2nncs2)c([N+](=O)[O-])c1	5101326	NUYLDHDQAGNTOE-UHFFFAOYSA-N	310.360	2.486	5	40	DEBB	
NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1	79097506	KZBQUZOBPDHVRY-CHWSQXEVSA-N	320.349	2.151	5	40	DEBB	
CC(=O)c1cn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)nc1C	63510272	GXNVZXYKZHQSTD-UHFFFAOYSA-N	317.301	2.217	5	40	DEBB	
CC[C@@H]([C@H]1c2c(cc3c(c2OC)OCO3)CCN1C)[N+](=O)[O-]	20113871	MQCPYEYBHUVZJP-GWCFXTLKSA-N	308.334	2.008	5	40	DEBB	biogenic
CC1(C)NC(=O)N(CCSc2ccc([N+](=O)[O-])cc2)C1=O	23103521	UOFWBSKEPBMIRG-UHFFFAOYSA-N	309.347	2.017	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(C2OCCO2)CC1	69230302	UZQVSLWJCROBFZ-UHFFFAOYSA-N	321.333	2.212	5	40	DEBB	
CN(C)CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1	69440348	FBUPBHGZUIBKMG-UHFFFAOYSA-N	307.394	2.247	5	40	DEBB	
CC(C)Oc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1	9010339	NKEUYHCQYYAMSS-VMPITWQZSA-N	317.301	2.341	5	40	DEBB	
CN(C)C(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	24643144	FCKBNRMKHZYUJQ-HIFRSBDPSA-N	303.362	2.214	5	40	DEBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N(C)C)C1	58264586	LERLPENLESAIQV-OCCSQVGLSA-N	305.378	2.456	5	40	DEBB	
Cc1ccc(CN2CCO[C@@]3(CCCN(C)C3)C2)cc1[N+](=O)[O-]	96157088	WEJOEAOQIXZCMS-QGZVFWFLSA-N	319.405	2.200	5	40	DEBB	
CCc1nc(CC)n(CCC(=O)Nc2ccccc2[N+](=O)[O-])n1	252508857	XWADQOLVPIQCOO-UHFFFAOYSA-N	317.349	2.340	5	40	DEBB	
Nc1nonc1OCCCNc1ccc(Cl)cc1[N+](=O)[O-]	45206859	INQNVVGXNRGAGL-UHFFFAOYSA-N	313.701	2.094	5	40	DEBB	
NC1=Nc2nc3ccccc3n2[C@H](c2cccc([N+](=O)[O-])c2)N1	3177738	MKPGPLNWEGNLML-CYBMUJFWSA-N	308.301	2.041	5	40	DEBB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	3150108	NJRYOYUOLUFJPO-UHFFFAOYSA-N	323.286	2.304	5	40	DEBB	
O=C(NCCCn1ccnc1)c1cc([N+](=O)[O-])ccc1Cl	13207751	HFYVZQMDCZYNIQ-UHFFFAOYSA-N	308.725	2.265	5	40	DEBB	
C[C@@H](O)C[C@@H]1COCCN1c1ccc(Cl)cc1[N+](=O)[O-]	225560937	ALCMMEHTCREVTR-MWLCHTKSSA-N	300.742	2.224	5	40	DEBB	
CN1C[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	207765333	LPFQBRLLIVANGO-RPVQJOFSSA-N	323.352	2.209	5	40	DEBB	
O=C(NCc1ccco1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	424120	NTRVTGQBHDFMRR-UHFFFAOYSA-N	314.253	2.224	5	40	DEBB	
CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(C)=O)cc1OC	32747420	JKUNCTCKQVDJOP-SECBINFHSA-N	311.290	2.136	5	40	DEBB	
CN(CCCNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1	41981197	NAQFBOMJWGEIRC-UHFFFAOYSA-N	317.345	2.440	5	40	DEBB	
O=C(O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1	3149473	MAJFPKNPWVVVHB-DHZHZOJOSA-N	302.242	2.043	5	40	DEBB	
COc1ccc(OC)c(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c1	6820077	IAXZWAFXHGSVHC-UHFFFAOYSA-N	317.301	2.455	5	40	DEBB	
C[S@@](=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	97377146	PRMIKDBDLNSNTM-NRFANRHFSA-N	308.315	2.319	5	40	DEBB	
C[C@@H]1CCC[C@@H](C)N1C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	59386416	WGOZMEYSHHLAMM-NXEZZACHSA-N	323.374	2.307	5	40	DEBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1	2617136	DDHQGVQORIUKOC-OAHLLOKOSA-N	315.281	2.478	5	40	DEBB	
Cc1nn(CCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-]	102599060	LWQZJAQNSPYGOE-VZZFWQQMSA-N	320.393	2.431	5	40	DEBB	
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)NC1CCCCC1	2778697	KUSJPLOQVPTWMD-UHFFFAOYSA-N	300.746	2.284	5	40	DEBB	
COc1ccc(NC(=O)c2[nH]nc3c2CCCC3)cc1[N+](=O)[O-]	97083375	YAVSNULTUAHYKH-UHFFFAOYSA-N	316.317	2.458	5	40	DEBB	
Cc1noc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1	54664421	NUAZTXCQRBXYHY-UHFFFAOYSA-N	316.317	2.306	5	40	DEBB	
CC(=O)Nc1cccc(OCCNc2ncccc2[N+](=O)[O-])c1	69698685	AJAXMKDGKSNPCB-UHFFFAOYSA-N	316.317	2.439	5	40	DEBB	
CC(=O)n1c(CN2CCOCC2)cc2cc([N+](=O)[O-])ccc21	20458751	CUERRSXUKHNOEI-UHFFFAOYSA-N	303.318	2.042	5	40	DEBB	
CCc1noc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1	95945499	DZTRLXHPKOYWHT-UHFFFAOYSA-N	324.724	2.466	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2[S@@](=O)N1Cc1ccccc1	245238694	YZPVIEYGAHVICX-OAQYLSRUSA-N	302.311	2.273	5	40	DEBB	
CNc1ccc(C(=O)Nc2cccnc2OC)cc1[N+](=O)[O-]	47553761	FIDDOGADYGDYHH-UHFFFAOYSA-N	302.290	2.292	5	40	DEBB	
COc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1[N+](=O)[O-]	6125272	UANNTZAAZHMFPC-SNVBAGLBSA-N	301.302	2.489	5	40	DEBB	
COC(=O)N[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C	71888781	YAIHJTMQGBONJU-MFKMUULPSA-N	323.349	2.153	5	40	DEBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1n[nH]c(N)n1	71803659	OKFGWJZXEUDTOU-UHFFFAOYSA-N	309.351	2.375	5	40	DEBB	
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)c1	97082456	BSCLJVYLPKHWOA-ZDUSSCGKSA-N	319.361	2.056	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cn(C)c(C)n1	97144342	XUZAZRHFGRZECR-UHFFFAOYSA-N	324.362	2.054	5	40	DEBB	
CS[C@@H]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	110646116	WGRLHAQCJIAQFE-CHWSQXEVSA-N	323.418	2.410	5	40	DEBB	
Cc1ccc(NC(=O)CSc2nccc(O)n2)cc1[N+](=O)[O-]	408543831	RNTARSUERJPOSD-UHFFFAOYSA-N	320.330	2.130	5	40	DEBB	
CCOC(=O)c1c(SC)nn(-c2ccc([N+](=O)[O-])cc2)c1N	3851881	VMUARVXGNVGILE-UHFFFAOYSA-N	322.346	2.261	5	40	DEBB	biogenic
CCN1C[C@@H](c2nc(-c3cc([N+](=O)[O-])ccc3C)no2)CC1=O	273699570	JQJDYACPHWWRBO-JTQLQIEISA-N	316.317	2.289	5	40	DEBB	
CCOC(=O)[C@H](F)[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1	585142593	ZLPZKTVLPICYKI-GHMZBOCLSA-N	311.313	2.026	5	40	DEBB	
CC1(C)[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21	104314062	RVHHHUJUGJFYNG-CHWSQXEVSA-N	310.375	2.012	5	40	DEBB	
O=C(O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1O	3192180	RLQGEGVLRIQLSR-UHFFFAOYSA-N	302.242	2.251	5	40	DEBB	
Cc1cc(C)nc(NNC2=Nc3cc([N+](=O)[O-])ccc3OC2)n1	6501193	KZULMKUFGMDXSU-UHFFFAOYSA-N	314.305	2.041	5	40	DEBB	
CCOCCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	6832153	PGIGWUREHYJXNK-UHFFFAOYSA-N	307.350	2.326	5	40	DEBB	
CCCc1[nH]nc(C(=O)NCc2ccc(Cl)nc2)c1[N+](=O)[O-]	71890307	JXJNRHPIUNZHTK-UHFFFAOYSA-N	323.740	2.249	5	40	DEBB	
Cn1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1	9945339	BNWDEXMTUFFZAV-UHFFFAOYSA-N	301.306	2.155	5	40	DEBB	
CNC(=O)c1ccc(COc2ncc(C)cc2[N+](=O)[O-])cc1	75093496	VDYILLZTUDNMBE-UHFFFAOYSA-N	301.302	2.237	5	40	DEBB	
Nn1c(Sc2ccccc2[N+](=O)[O-])nnc1C(F)(F)F	78406458	MMUPZWWXVNQTQT-UHFFFAOYSA-N	305.241	2.070	5	40	DEBB	
CCc1cnc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N)s1	188233135	ZYQYOBNSOSFJDL-UHFFFAOYSA-N	320.374	2.468	5	40	DEBB	
O=C1NC(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)N1	5567058	WTWNLXAYLHVYRK-XFSBKJJWSA-N	302.073	2.082	5	40	DEBB	
COc1ccc(NC(=O)CSc2nccn2C)c([N+](=O)[O-])c1	4805325	ZYMSHXLCEGEADT-UHFFFAOYSA-N	322.346	2.068	5	40	DEBB	
O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1	10220507	BEBDNTHUTJZIMD-CYBMUJFWSA-N	306.318	2.010	5	40	DEBB	
Cc1nn(CCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	101614615	LWQZJAQNSPYGOE-ZRJCITRHSA-N	320.393	2.431	5	40	DEBB	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2	9142122	ZWXDMHPICWWKAX-UHFFFAOYSA-N	321.314	2.089	5	40	DEBB	
Cc1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1[N+](=O)[O-]	7265597	NYPRTJFZCACNPH-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
COC(=O)c1ccc([N+](=O)[O-])c(NCC2CCN(C)CC2)c1	97082450	MOJCCVSQDJBKAW-UHFFFAOYSA-N	307.350	2.135	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CCN(C)C	95945713	IBDQCPDUGSPWQI-SNVBAGLBSA-N	310.354	2.065	5	40	DEBB	
Cc1cccc(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1	194709645	PZVYBQDIMADWSQ-UHFFFAOYSA-N	321.358	2.264	5	40	DEBB	
Cc1n[nH]c(SCC(=O)NCc2ccc(F)cc2)c1[N+](=O)[O-]	6621861	IOEWMBRASAQZBR-UHFFFAOYSA-N	324.337	2.174	5	40	DEBB	
Cc1cnccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	72281366	UKENHOHGKIZPDJ-UHFFFAOYSA-N	307.331	2.407	5	40	DEBB	
Cc1[nH]nc(C(=O)N[C@H](C)CC(=O)c2cccs2)c1[N+](=O)[O-]	95979612	SAXBKNHTEOUEIC-SSDOTTSWSA-N	322.346	2.079	5	40	DEBB	
COC(=O)N[C@H](CC(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1	75137880	JUASFDLWMSXBNU-GFCCVEGCSA-N	309.322	2.304	5	40	DEBB	
O=C(Nc1nnc2n1CCCC2)c1cc(Cl)ccc1[N+](=O)[O-]	97236489	JEEVXBNGRRJEQT-UHFFFAOYSA-N	321.724	2.428	5	40	DEBB	
O=Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccn2)CC1	5246753	YFLFKWQPWDJHAW-UHFFFAOYSA-N	312.329	2.129	5	40	DEBB	
C[C@H]1ON(C(C)(C)C)[C@@H]2[C@@H]1CO[C@]2(O)c1ccc([N+](=O)[O-])cc1	5370118	PNVADGDICBWJCN-DSPGLSBSSA-N	322.361	2.189	5	40	DEBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)O)c1	13094784	XQFNQFUTPNHOLX-UHFFFAOYSA-N	316.269	2.311	5	40	DEBB	
O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc([N+](=O)[O-])o1	69390659	HZZHMKSBMNKQDI-UHFFFAOYSA-N	312.285	2.304	5	40	DEBB	
O=C(COC(=O)Cc1ccsc1)Nc1ccc([N+](=O)[O-])cc1	6423937	MBGQUAXKBWZUPF-UHFFFAOYSA-N	320.326	2.381	5	40	DEBB	
O=C(NCc1ccncc1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1	72329421	YGFBWYCXPXMMGB-UHFFFAOYSA-N	323.312	2.310	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])[C@H]1C=C[C@H]2C1	409176873	ZRXWAAASOGEAIQ-XMUKKISLSA-N	302.261	2.045	5	40	DEBB	
CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])C12CCCC2	96432538	BALCZVXQXODFBZ-GHMZBOCLSA-N	322.365	2.094	5	40	DEBB	
COc1ccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1Cl	94390	FISFLMANQQFKGL-UHFFFAOYSA-N	324.724	2.400	5	40	DEBB	
O=[N+]([O-])c1cccc(OCCOc2cccnc2[N+](=O)[O-])c1	42151797	OWKIUUAZPVEQMF-UHFFFAOYSA-N	305.246	2.356	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(CCc3cccs3)CC2)nc1	57141358	FGXQLXQKOVSOPJ-UHFFFAOYSA-N	318.402	2.416	5	40	DEBB	
COc1ccc(NC(=O)CN2CCC[C@H](C)C2)c([N+](=O)[O-])c1	4902668	QHHJZFSEIQVRSY-NSHDSACASA-N	307.350	2.274	5	40	DEBB	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)Cn1ccc([N+](=O)[O-])n1	69416963	GTZXEJIVUBQDHW-SECBINFHSA-N	322.287	2.227	5	40	DEBB	
COc1cc2c(cc1OC)[C@H]1CCN3C(=O)CC[C@@H]3[N+]1(C)CC2	1564526	DLBKWQHFVZZPHA-NJKBTARHSA-N	317.409	2.100	5	40	DEBB	
COc1ccc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC	2616421	XVUSKPWBIDAYLJ-UHFFFAOYSA-N	319.317	2.308	5	40	DEBB	
O=[N+]([O-])c1cn[nH]c1N1CCN(Cc2cccc(Cl)c2)CC1	22239231	KLFZIEIDNFITPW-UHFFFAOYSA-N	321.768	2.294	5	40	DEBB	
CN(C)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	78773344	CWQJUWVBKWZIDJ-UHFFFAOYSA-N	321.358	2.462	5	40	DEBB	
COC(=O)c1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-]	85223891	XFHBMIBQDDEXIX-UHFFFAOYSA-N	305.040	2.052	5	40	DEBB	
O=C(OCCn1cccn1)c1c[nH]c2cc([N+](=O)[O-])ccc12	62276592	PCKYBHPXKSBWFL-UHFFFAOYSA-N	300.274	2.130	5	40	DEBB	
CC1CCN(c2nc(N3CCCCC3)nc(N)c2[N+](=O)[O-])CC1	5249707	MUFBIKHHXMXESU-UHFFFAOYSA-N	320.397	2.194	5	40	DEBB	
Cc1c(NC(=O)CCn2c(C)csc2=O)cccc1[N+](=O)[O-]	14798630	RZUNVPHMBBASRC-UHFFFAOYSA-N	321.358	2.464	5	40	DEBB	
CC1(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCC1	97081746	UDRSBMUVBIEZGK-ZDUSSCGKSA-N	303.318	2.147	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1c2ccccc2C[C@@H]1O	53756224	CVNVGCFRPJDRQF-LSDHHAIUSA-N	313.313	2.375	5	40	DEBB	
Nc1nc(SCc2cccc([N+](=O)[O-])c2)c2nc[nH]c2n1	8615336	TUXYRGQWRSWRKN-UHFFFAOYSA-N	302.319	2.136	5	40	DEBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N(C)C)C1	58264585	LERLPENLESAIQV-JSGCOSHPSA-N	305.378	2.456	5	40	DEBB	
Fc1ccc2scc(C[N+]34CN5CN(CN(C5)C3)C4)c2c1	19323804	NRFOGJQKQZJIPW-UHFFFAOYSA-N	305.402	2.049	5	40	DEBB	
O=C1OCCN1c1cccc(Nc2ncc([N+](=O)[O-])cn2)c1	96011505	PTCBLWDNEZVGTR-UHFFFAOYSA-N	301.262	2.085	5	40	DEBB	
O=[N+]([O-])c1ccc(NCCS(=O)(=O)Cc2ccccc2)nc1	41620987	PBCOWWKGYSYDCG-UHFFFAOYSA-N	321.358	2.017	5	40	DEBB	
O=C(c1ccc(F)c(F)c1)N1CCc2ncc([N+](=O)[O-])cc2C1	95993498	DZDRCIJQOOYILP-UHFFFAOYSA-N	319.267	2.467	5	40	DEBB	
C[C@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1	78940510	WIHAAWHYYUBSLI-MNOVXSKESA-N	317.349	2.450	5	40	DEBB	
Cc1cc(O)nc2nnc(SCc3ccc([N+](=O)[O-])cc3)n12	4249963	UJMYDSHOWONOJO-UHFFFAOYSA-N	317.330	2.339	5	40	DEBB	
C[C@H](NC[C@H](C)N1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1	95967933	BWIDYRLXNOAYNM-MJBXVCDLSA-N	307.394	2.355	5	40	DEBB	
Cc1nc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)no1	89626680	TYTPBBGXTMCMMI-UHFFFAOYSA-N	305.294	2.225	5	40	DEBB	
Nc1ccc(C(=O)OCc2nccn2C(F)F)cc1[N+](=O)[O-]	32853932	OPZFJPWCXLJTSM-UHFFFAOYSA-N	312.232	2.126	5	40	DEBB	
O=c1c([N+](=O)[O-])c(Nc2ccc3[nH]ncc3c2)nc2ccccn12	58325058	GLCYEGRJQPYLDD-UHFFFAOYSA-N	322.284	2.223	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cccs2)c1	4717727	KZKIOJJDRVYGKG-UHFFFAOYSA-N	312.372	2.177	5	40	DEBB	
NC(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1	5930231	UOOHUNGQTJPTRM-SECBINFHSA-N	317.267	2.472	5	40	DEBB	
O=[N+]([O-])[C@H]1C[C@H]1c1nc(-c2ccnc(N3CCCCC3)c2)no1	78774522	UXEGOQGPFISVTL-NEPJUHHUSA-N	315.333	2.255	5	40	DEBB	
Cc1nc(C)c(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)s1	72273287	BGQFWAZLIRAYKY-UHFFFAOYSA-N	320.374	2.223	5	40	DEBB	
COc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(NC(C)C)n1	4853471	LDWXODIFUNKRCZ-UHFFFAOYSA-N	304.310	2.352	5	40	DEBB	
COc1ccc(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)cn1	25254729	RZABWDJUQVJBJM-UHFFFAOYSA-N	301.302	2.271	5	40	DEBB	
C/C=C/C=C/C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F	3501598	QHFDAYSNMHEVIS-MQQKCMAXSA-N	308.265	2.348	5	40	DEBB	
O=[N+]([O-])c1ccc(CN2CCN(c3nccs3)CC2)cc1	25933023	VFZUGIDSASRHPF-UHFFFAOYSA-N	304.375	2.374	5	40	DEBB	
C[C@H](Nc1ncccc1[N+](=O)[O-])C1(N2CCOCC2)CCCC1	79099169	ZUJUMECSPPDELV-ZDUSSCGKSA-N	320.393	2.435	5	40	DEBB	
O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-]	409176871	ZRXWAAASOGEAIQ-GYBADROVSA-N	302.261	2.045	5	40	DEBB	
Cc1cc([N+](=O)[O-])cnc1NCCc1n[nH]c(-c2ccco2)n1	96456214	KYZYKWXNLPQOJL-UHFFFAOYSA-N	314.305	2.331	5	40	DEBB	
CC(C)C(=O)N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1	75138831	KVYWFKJQVGOUOL-UHFFFAOYSA-N	319.405	2.328	5	40	DEBB	
COc1cc(C(=O)OCc2nccs2)c([N+](=O)[O-])cc1OC	56241569	XLRNRSWDKQOKBF-UHFFFAOYSA-N	324.314	2.426	5	40	DEBB	
COc1cc(CCNC(=O)C=C(C)C)c([N+](=O)[O-])cc1OC	32821037	WRKPRQVPPSSOIN-UHFFFAOYSA-N	308.334	2.237	5	40	DEBB	
Cc1nn(CN(C)Cc2cccc([N+](=O)[O-])c2)c(=S)n1C	25492244	LQTJCQAEHGHFMX-UHFFFAOYSA-N	307.379	2.257	5	40	DEBB	
CCOc1ccc(Nc2nc(N(C)C)nc(N)c2[N+](=O)[O-])cc1	5216169	VMJHRKMDWHKBFR-UHFFFAOYSA-N	318.337	2.175	5	40	DEBB	
Cc1ccc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1	15612152	HFFMFGGCYILHAC-LLVKDONJSA-N	315.329	2.391	5	40	DEBB	
CNC(=O)c1ccc(N[C@@H](C)c2cn(C)nc2C)c([N+](=O)[O-])c1	71904212	PUGSLSBJYCOSLB-VIFPVBQESA-N	317.349	2.169	5	40	DEBB	
Cc1ccc2c(n1)OCCN2C(=O)c1ccc(F)cc1[N+](=O)[O-]	95985613	IIYFZRUAJUJWKD-UHFFFAOYSA-N	317.276	2.477	5	40	DEBB	
Cc1nn(CCC(=O)Nc2ncccc2Cl)c(C)c1[N+](=O)[O-]	97046967	TZYFVUPUPAMSKE-UHFFFAOYSA-N	323.740	2.485	5	40	DEBB	
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2ccc(F)cc21	89392897	YBZKRGGJODMAGM-LBPRGKRZSA-N	318.308	2.275	5	40	DEBB	
CCOC(=O)[C@@H](F)[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1	585142597	ZLPZKTVLPICYKI-QWRGUYRKSA-N	311.313	2.026	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O	169682332	VHKRHDANWAQKGM-DEEDKQTDSA-N	324.336	2.461	5	40	DEBB	
CC(C)(C)c1ccc(OC[C@H](O)C[N+]2(C)CCOCC2)cc1	8843570	MCMVQNMJXIAYJG-MRXNPFEDSA-N	308.442	2.201	5	40	DEBB	
Cc1noc([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1	64316197	BHYIDNVPSRUFRQ-WHXYTISESA-N	302.290	2.177	5	40	DEBB	
O=C(O[C@@H]1CCOC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5449676	SAQURRVKKBHNOI-CYBMUJFWSA-N	317.253	2.327	5	40	DEBB	
Cc1ccc(S(=O)(=O)N2CCCSCC2)c([N+](=O)[O-])c1	71186278	NITUEDUEPAJVDT-UHFFFAOYSA-N	316.404	2.031	5	40	DEBB	
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Br)c1[N+](=O)[O-]	66114644	IKHFDQSVNNIGEN-UHFFFAOYSA-N	306.028	2.482	5	40	DEBB	
O=C(CSc1ccc([N+](=O)[O-])cn1)NCCc1ccccc1	159704322	ACLVMMMICGCWKC-UHFFFAOYSA-N	317.370	2.441	5	40	DEBB	
Cn1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)cn1	76064032	NKNRTFQVFMSGEV-ZDUSSCGKSA-N	301.350	2.409	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(-n2cnnc2)c1	33199969	DHGVYZXJBCTMGM-UHFFFAOYSA-N	323.312	2.357	5	40	DEBB	
Cc1noc([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)n1	54661561	KNNLJUMRGKILAY-LBPRGKRZSA-N	316.317	2.306	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C2CCCC2)C1	8234516	IKTZRKIQLDNFNY-LLVKDONJSA-N	317.345	2.324	5	40	DEBB	
CCn1c(C)nnc1Sc1nc2ccccn2c1[N+](=O)[O-]	69417542	POUKGVFDORRLMU-UHFFFAOYSA-N	304.335	2.314	5	40	DEBB	
CC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)nc1C	95977924	QXPNFSLMXJZSLG-UHFFFAOYSA-N	313.313	2.431	5	40	DEBB	
COCCN(CCOC)Cc1ccc(Cl)c([N+](=O)[O-])c1	96111316	OYCQYFVPLAZFKN-UHFFFAOYSA-N	302.758	2.343	5	40	DEBB	
CCN(C(=O)COc1cccnc1[N+](=O)[O-])c1ccccc1	12533229	MIGHPTNMNFXQBZ-UHFFFAOYSA-N	301.302	2.422	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O	169682333	VHKRHDANWAQKGM-GFHYGRAKSA-N	324.336	2.461	5	40	DEBB	
O=C(O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	28497950	MKYCCWWJKMFHJH-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccc(O)cc1	5138692	XYHFQSKAUPPPBY-UHFFFAOYSA-N	324.314	2.464	5	40	DEBB	in-vitro
Cc1ccc(NC(=O)COC(=O)c2ccco2)cc1[N+](=O)[O-]	3514657	VLVXYYPODRMFIX-UHFFFAOYSA-N	304.258	2.292	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	100178320	KQWIHAFWGICYBX-ZAQNNHEOSA-N	310.309	2.152	5	40	DEBB	
O=C(OCC(=O)N1CCCC1)c1cc([N+](=O)[O-])ccc1Cl	3254337	VSEDKNMMSZMVDB-UHFFFAOYSA-N	312.709	2.027	5	40	DEBB	
O=[N+]([O-])c1ccc(NCCc2ccc3c(c2)OCCO3)nc1	12999075	PDJJUTUSJRGRHV-UHFFFAOYSA-N	301.302	2.416	5	40	DEBB	
COc1ccc(C(=O)Nc2sccc2C(N)=O)cc1[N+](=O)[O-]	7014819	PJKLKRMCAZKOKM-UHFFFAOYSA-N	321.314	2.016	5	40	DEBB	
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](c2cn[nH]c2)C1	97052615	USNPTTMQURTVBU-SNVBAGLBSA-N	316.317	2.043	5	40	DEBB	
Cc1cc(C(=O)N[C@H](CO)Cc2ccccc2)cc([N+](=O)[O-])c1	95981011	YURZQWGRFWWNFQ-HNNXBMFYSA-N	314.341	2.237	5	40	DEBB	
COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1OC(=O)c1ccccc1)[N+]2(C)C	6519804	NRJDVMYLISHSNW-QXSJWSMHSA-N	318.393	2.012	5	40	DEBB	
CN(Cc1c(F)cccc1Cl)c1ncc([N+](=O)[O-])c(N)n1	58356430	BLDYFZDHZPXRIB-UHFFFAOYSA-N	311.704	2.396	5	40	DEBB	
CC(C)(C)NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-]	3309593	XXZLIVKFNCEUEH-CMDGGOBGSA-N	306.318	2.066	5	40	DEBB	
Cc1ccc(=O)n(Cc2cc([N+](=O)[O-])ccc2OC(C)C)n1	71803684	HSMDRSDYYIEFAQ-UHFFFAOYSA-N	303.318	2.295	5	40	DEBB	
COCCn1cc(NCc2ccc(OC)c([N+](=O)[O-])c2)cn1	95427571	OBUVLPXAKQCWCP-UHFFFAOYSA-N	306.322	2.058	5	40	DEBB	
CC(C)(C)OC(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1	82322688	BZCZLYVPOXHWMT-UHFFFAOYSA-N	308.338	2.047	5	40	DEBB	
C[C@H](O)C[C@H]1COCCN1c1ccc(Cl)cc1[N+](=O)[O-]	225560972	ALCMMEHTCREVTR-ONGXEEELSA-N	300.742	2.224	5	40	DEBB	
CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1	13810744	NMPJHBWWZAHGEY-ZJUUUORDSA-N	308.386	2.414	5	40	DEBB	
O=[N+]([O-])c1cccnc1NNC(=S)Nc1ccc(F)cc1	20031063	GXDBDGXSXSORRT-UHFFFAOYSA-N	307.310	2.442	5	40	DEBB	
O=c1ccc([N+](=O)[O-])cn1Cc1cc(Cl)cc2c1OCOC2	16280469	GFJCFIMQQCLFOG-UHFFFAOYSA-N	322.704	2.325	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCn1ccnn1	97145746	HWXOUBZVKDVXJT-UHFFFAOYSA-N	318.337	2.015	5	40	DEBB	
O=C(CCN1CCO[C@H]2CCC[C@@H]21)Nc1cccc([N+](=O)[O-])c1	95397366	ZCQHQSSGEPUYTB-GJZGRUSLSA-N	319.361	2.177	5	40	DEBB	
Cc1ccnc(NC[C@@H](O)COCc2ccccc2)c1[N+](=O)[O-]	95397624	DNSBKSQQQRRENS-CQSZACIVSA-N	317.345	2.288	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)(F)F)n1N	78406494	XNWCNNCDCQTWPS-UHFFFAOYSA-N	319.268	2.379	5	40	DEBB	
CC[N+]1(C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CCOCC1	13307053	LDHSDHWSXOQHLI-IKGGRYGDSA-N	314.490	2.446	5	40	DEBB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1CCCC[C@H]1C	8329972	KNFAPERNFZWXIB-GMTAPVOTSA-N	324.333	2.428	5	40	DEBB	
CCn1cnn(CN(C)Cc2cccc([N+](=O)[O-])c2)c1=S	25491916	QXWXMEFTEMPGPT-UHFFFAOYSA-N	307.379	2.432	5	40	DEBB	
COC(=O)c1cc(N2CCN3CCCC[C@H]3C2)ccc1[N+](=O)[O-]	247808039	AYFJUUBVOJQFJR-ZDUSSCGKSA-N	319.361	2.056	5	40	DEBB	
O=[N+]([O-])c1cc(Br)ccc1N1CCCNCC1	19519362	DAETUMFJCFGOEV-UHFFFAOYSA-N	300.156	2.157	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1CCC1	6638967	VOWOQFMMIHTTKB-VIFPVBQESA-N	322.317	2.274	5	40	DEBB	
CN(c1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CCCCC1	15174143	YBJDDKWPNHKTDC-UHFFFAOYSA-N	313.379	2.011	5	40	DEBB	
COc1ccc(OC)c(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1	7391563	SONPBVLLWTYYBI-UHFFFAOYSA-N	319.317	2.308	5	40	DEBB	
COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](OC)C(C)(C)C)c1	73209558	URJAYUWZEVWLGH-ZDUSSCGKSA-N	310.350	2.394	5	40	DEBB	
CCOC(=O)[C@@H](N)Cc1c([N+](=O)[O-])ccc(Cl)c1Cl	606527548	CACAWAGRUHJJLR-QMMMGPOBSA-N	307.133	2.335	5	40	DEBB	
O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1	5673975	OQSWETMHRSXTCJ-UZGDPCLZSA-N	317.297	2.161	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1	16345496	ZABXJRVFUMHSDN-AOOOYVTPSA-N	309.322	2.245	5	40	DEBB	
CCOc1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1OC	29626424	QEMCPGFZPUAPKJ-UHFFFAOYSA-N	306.322	2.348	5	40	DEBB	
NC1=Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2)N1	3177248	ZYYGXYFZUAHEGK-CYBMUJFWSA-N	308.301	2.041	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O	100184452	VHKRHDANWAQKGM-NQWMYEDTSA-N	324.336	2.461	5	40	DEBB	
Nc1c(C(=O)Nc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4014009	UMABJSWDXWIDNA-UHFFFAOYSA-N	302.246	2.338	5	40	DEBB	
CC(C)CCNC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1	4614956	FIWYYUSSECOWPY-UHFFFAOYSA-N	307.350	2.476	5	40	DEBB	
COC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1	27024624	XXHNBIWURVLGKI-ZDUSSCGKSA-N	319.273	2.165	5	40	DEBB	
C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1	11560728	UBZZQWKOBBELCD-VXGBXAGGSA-N	307.350	2.033	5	40	DEBB	
CN(C)CCNC(=O)c1cccc2nc3cccc(F)c3nc12	5541376	DDUMHFXTQIMXFR-UHFFFAOYSA-N	312.348	2.214	5	40	DEBB	
O=C(NC[C@@H]1CCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	6250643	SNVFQJJVXUPCPK-LBPRGKRZSA-N	305.334	2.078	5	40	DEBB	
O=C(COc1ccccc1[N+](=O)[O-])N1CCOC12CCCCC2	35671168	HDQDCCFLGMTUHW-UHFFFAOYSA-N	320.345	2.493	5	40	DEBB	
C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])Oc1nonc1N	5354414	BEFAPOZTZTUQNW-LURJTMIESA-N	313.701	2.093	5	40	DEBB	
Cc1c(C(=O)NC[C@H]2COC3(CCCC3)O2)cccc1[N+](=O)[O-]	10220474	DCSCPZRFWOAFLH-LBPRGKRZSA-N	320.345	2.319	5	40	DEBB	
Cc1ccccc1CN(C)c1ncc([N+](=O)[O-])cc1C(N)=O	40511133	WYWLVLAMLLLINV-UHFFFAOYSA-N	300.318	2.034	5	40	DEBB	
C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cn1cccn1	40554342	DEIMURXJHOGWBJ-LLVKDONJSA-N	303.322	2.249	5	40	DEBB	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1cc(F)ccc1F	2794283	USVJEOSUNCJVDF-QMMMGPOBSA-N	310.260	2.344	5	40	DEBB	
Cc1nnc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1	23625530	GKWAJZPRPXLARY-UHFFFAOYSA-N	307.335	2.073	5	40	DEBB	
O=C(CCNC(=O)c1ccsc1)Nc1ccc([N+](=O)[O-])cc1	25010795	DUZDYPPNJRRXPC-UHFFFAOYSA-N	319.342	2.415	5	40	DEBB	
CCC(C)(C)NC(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-]	13159869	NBUPNLXQBDXTAQ-UHFFFAOYSA-N	308.334	2.365	5	40	DEBB	
O=C1O[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc21	4291941	NTGUTOODNPWIGI-AWEZNQCLSA-N	312.281	2.315	5	40	DEBB	
NC(=O)[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1	129592144	SCLLNVKFNDAIPM-LLVKDONJSA-N	324.699	2.421	5	40	DEBB	
COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2O)cc1	36469975	IBJPUDYGSOZFOX-UHFFFAOYSA-N	302.286	2.239	5	40	DEBB	
CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1cnn(C)c1	69981104	ZUDYWYQRZFWEGG-UHFFFAOYSA-N	322.296	2.256	5	40	DEBB	
Cc1oc(-c2ccco2)nc1Cn1cccc([N+](=O)[O-])c1=O	78979188	ZUIBPBCFLREEDG-UHFFFAOYSA-N	301.258	2.361	5	40	DEBB	
CC[C@](Cl)([C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96520575	KPVNLJRVUUQBGA-GHMZBOCLSA-N	307.755	2.018	5	40	DEBB	
O=C1COc2ccc([N+](=O)[O-])cc2N1CCOc1ccccc1	11691856	UFDAYFBUUGNQSN-UHFFFAOYSA-N	314.297	2.399	5	40	DEBB	
Cc1ccc(C)c(S(=O)(=O)NCc2ccco2)c1[N+](=O)[O-]	195579881	VJYUUFFVJMHEOH-UHFFFAOYSA-N	310.331	2.283	5	40	DEBB	
O=Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	95470233	CQHVYKWIIJFDTG-UHFFFAOYSA-N	307.283	2.175	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)c1	3896948	RISXEBLJZJBHLM-QJPTWQEYSA-N	310.375	2.309	5	40	DEBB	
N=C(N)SCC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	4015669	NEAKMSFJUMOZGS-UHFFFAOYSA-N	323.161	2.467	5	40	DEBB	
CCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)no1	6169025	XZJDDKBQXZXBEW-UHFFFAOYSA-N	310.697	2.124	5	40	DEBB	
CCOC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1	96007164	WUNYGZUYPHMAAO-UKRRQHHQSA-N	322.361	2.043	5	40	DEBB	
O=[N+]([O-])c1cnn(CCO)c1-c1ccc(Br)cc1	96527523	VZDGEISFMNRNMF-UHFFFAOYSA-N	312.123	2.213	5	40	DEBB	
Cc1nn(Cc2ccc(C(=O)NC3CC3)cc2)c(C)c1[N+](=O)[O-]	8077246	NHAFDJJBFBTEIC-UHFFFAOYSA-N	314.345	2.349	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C)C1	32401086	LYTHMSSWJLPUKQ-SNVBAGLBSA-N	314.363	2.024	5	40	DEBB	
O=C(O[C@H]1CCOC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5449677	SAQURRVKKBHNOI-ZDUSSCGKSA-N	317.253	2.327	5	40	DEBB	
Cc1c(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-]	71904642	QLZKXELTOPYTGQ-NWDGAFQWSA-N	314.407	2.157	5	40	DEBB	
Cc1cc(C)c(C(=O)OCCc2ccccc2[N+](=O)[O-])c(=O)[nH]1	97113085	QNBZYNPDXGSXSK-UHFFFAOYSA-N	316.313	2.299	5	40	DEBB	
C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H](c2ccc(F)cc2)O1	76063602	FFFKAUZSMRGEDX-ZWNOBZJWSA-N	320.324	2.434	5	40	DEBB	
CCc1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1F	95434687	ABDZODRHJHHXTL-UHFFFAOYSA-N	319.292	2.097	5	40	DEBB	
Cn1ccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1	95441285	XURQOUPQUUMKJN-UHFFFAOYSA-N	314.345	2.201	5	40	DEBB	
Cc1cc(NC(=O)c2ccc3c(c2)nnn3C)ccc1[N+](=O)[O-]	95991487	GLQYKZCWIKIZHH-UHFFFAOYSA-N	311.301	2.437	5	40	DEBB	
CCCCNC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	3504929	SYGOQYRLSMEUDS-UHFFFAOYSA-N	314.725	2.321	5	40	DEBB	
COC(=O)/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccncc1	102827484	WEGGMJWAPBJHNS-XYOKQWHBSA-N	300.270	2.409	5	40	DEBB	
NC(=O)c1ccccc1OCc1nc2cc([N+](=O)[O-])ccc2o1	84497882	FJVUMGIMUAVRGQ-UHFFFAOYSA-N	313.269	2.414	5	40	DEBB	
Cc1c(C(=O)OCC(=O)N2CCCCCC2)cccc1[N+](=O)[O-]	4846743	QPKIYLRZGRJSDF-UHFFFAOYSA-N	320.345	2.463	5	40	DEBB	
C[C@H]1CN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)C[C@@H](C)O1	12878184	LFPRDNLQZKKGOD-PHIMTYICSA-N	317.345	2.060	5	40	DEBB	
O=C(c1c(O)cccc1F)N1CCc2ncc([N+](=O)[O-])cc2C1	225403851	WKFUQOKFMUADIG-UHFFFAOYSA-N	317.276	2.033	5	40	DEBB	
CCn1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1	376021	PNYUZWPJLLECRH-RMKNXTFCSA-N	314.345	2.449	5	40	DEBB	
O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1O	3150090	IOHBZQBTJUJENP-UHFFFAOYSA-N	302.242	2.251	5	40	DEBB	
Nc1nc2c(s1)CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	32916212	FAPNCZGGVIYCPR-UHFFFAOYSA-N	321.318	2.104	5	40	DEBB	
CSC1=C([N+](=O)[O-])[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C	8346049	CLXZPJVGFBMMFQ-SECBINFHSA-N	324.318	2.100	5	40	DEBB	
O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@H](c2ncc[nH]2)C1	95993842	VOGONXKTMMMBGA-LBPRGKRZSA-N	302.334	2.194	5	40	DEBB	
CN(C)C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	24643150	FCKBNRMKHZYUJQ-ZFWWWQNUSA-N	303.362	2.214	5	40	DEBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@@H]21	101787335	HRZBKBWXBVJJHA-DFAYQTQMSA-N	302.286	2.002	5	40	DEBB	
Cc1c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cccc1C(N)=O	58166103	VJWBNWZCHOWQQS-UHFFFAOYSA-N	317.276	2.394	5	40	DEBB	
C[C@H]1CCC[C@H](C)N1C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	59386414	WGOZMEYSHHLAMM-UWVGGRQHSA-N	323.374	2.307	5	40	DEBB	
O=[N+]([O-])c1cnc2c(c1)CN(C[C@H](O)c1ccc(F)cc1)CC2	97110207	LJHNDKLOEYDRSS-INIZCTEOSA-N	317.320	2.221	5	40	DEBB	
CC(=O)c1cc([N+](=O)[O-])ccc1NCCCCN1CCOCC1	225817550	GGEKUQUXIILRIM-UHFFFAOYSA-N	321.377	2.322	5	40	DEBB	
O=C1[C@@H](Oc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F	69664320	PLGHQGYVHCXKJX-JTQLQIEISA-N	304.224	2.137	5	40	DEBB	
O=C(Nc1ccc(C(=O)O)c(O)c1)c1cccc([N+](=O)[O-])c1	6926157	BZDYOVWMWPPFDZ-UHFFFAOYSA-N	302.242	2.251	5	40	DEBB	
O=C1Nc2ccccc2[C@@]12CC(c1cccc([N+](=O)[O-])c1)=NN2	8767756	HHZQUVIXFZDXMV-INIZCTEOSA-N	308.297	2.140	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1	4548630	SXATXEHIANFQQP-UHFFFAOYSA-N	323.286	2.304	5	40	DEBB	
CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1	67800506	UBKUFTDHYMPKTI-SNVBAGLBSA-N	308.338	2.093	5	40	DEBB	
C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CCOC1	96486823	NZFWIXOASGZGMU-JGVFFNPUSA-N	300.261	2.028	5	40	DEBB	
CC(C)CCNc1nc(N)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1	5142974	WSOOMQTXBYIEGX-JTQLQIEISA-N	324.385	2.016	5	40	DEBB	
Cc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1F	8389490	OLJGTPXZZAKYQT-UHFFFAOYSA-N	306.297	2.494	5	40	DEBB	
COc1ccc(O[C@H](C)C(=O)NC2CCCC2)c([N+](=O)[O-])c1	5051111	YODHVHYXGDLSDR-SNVBAGLBSA-N	308.334	2.430	5	40	DEBB	
CCOc1ccc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)nc1	96459674	JMGSFRYYYRTSAN-UHFFFAOYSA-N	315.285	2.345	5	40	DEBB	
Nc1ncnc(NNc2nc3ccccc3s2)c1[N+](=O)[O-]	5673717	LTDLNKLXHREZIB-UHFFFAOYSA-N	303.307	2.016	5	40	DEBB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CO1	2523030	HTONGEVUVJEIRS-QWHCGFSZSA-N	308.334	2.429	5	40	DEBB	
Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1[N+](=O)[O-]	101988343	YDFMWYMVTGEARZ-GMNPVEAJSA-N	306.366	2.191	5	40	DEBB	
O=c1ncccn1Cc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1	44976960	FDMCTVAYBXRALE-UHFFFAOYSA-N	323.312	2.338	5	40	DEBB	
CCNC(=O)C1CN(c2cc(C)nc3c([N+](=O)[O-])cccc23)C1	95463618	CMRUFGUPKHYNRX-UHFFFAOYSA-N	314.345	2.024	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nnc(CO)n1C	95994665	BQHAOVNRTGNADP-VIFPVBQESA-N	308.363	2.377	5	40	DEBB	
CC(C)(C)OC[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)O	214362094	RQNZSCNREAXTAC-SECBINFHSA-N	314.363	2.460	5	40	DEBB	
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1-n1cnnn1	33081919	IDJWQRWHXBVCGY-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(=O)[nH]c2c1	13878665	FHCZUYXASXFRJR-UHFFFAOYSA-N	313.273	2.408	5	40	DEBB	
O=C(O)c1c[nH]c2cc(N3CCCCC3)c([N+](=O)[O-])cc2c1=O	72434016	JVXYPFVXZNCYHK-UHFFFAOYSA-N	317.301	2.125	5	40	DEBB	
O=c1oc2cc([N+](=O)[O-])ccc2n1CCO[C@H]1CCCCO1	225638820	PNXMKEFWEVFHMH-ZDUSSCGKSA-N	308.290	2.046	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31	169682330	VHKRHDANWAQKGM-AATNOEDMSA-N	324.336	2.461	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c([N+](=O)[O-])c1	169685370	BXVIFRVMCZKCFS-WIYAMZDGSA-N	324.336	2.461	5	40	DEBB	
C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	135758605	ADYOCNATSUHJKW-FFVOIRBGSA-N	318.782	2.087	5	40	DEBB	
C[C@@H](CCc1ccco1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	9389919	OZCHOBXBHXSBRG-NSHDSACASA-N	324.358	2.487	5	40	DEBB	
O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@H]2CC[C@H]1C2	248442879	LCJJZZAPIFXRPS-ZIBATOQPSA-N	315.329	2.099	5	40	DEBB	
CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-]	70370	YUWHXONWAWNDSC-CYBMUJFWSA-N	319.317	2.128	5	40	DEBB	
CN1C[C@@H]2CC[C@H](C1)C2(C)OC(=O)c1ccc([N+](=O)[O-])cc1	1706463	YGSQJANEQMYLLP-OCZCAGDBSA-N	304.346	2.482	5	40	DEBB	
C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@H](c2ccsc2)O1	108391768	HCIMWOUJEQQWIW-CABZTGNLSA-N	306.347	2.413	5	40	DEBB	
Cc1cccc(N2CCO[C@@](C)(c3cnn(C)c3)C2)c1[N+](=O)[O-]	225459799	LSUXLOKNBUWKTL-MRXNPFEDSA-N	316.361	2.389	5	40	DEBB	
COC(=O)[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	29982527	STALSXIPYVASQQ-SECBINFHSA-N	314.363	2.282	5	40	DEBB	
O=C(NC1C[C@H]2CC[C@H](C1)N2C1CC1)c1ccc([N+](=O)[O-])cc1	100423007	WBTNRRAIGOEEIY-HZPDHXFCSA-N	315.373	2.482	5	40	DEBB	
O=C(NC(=S)Nc1ccccn1)c1cccc([N+](=O)[O-])c1	501784	JXVGBGHARFBXFD-UHFFFAOYSA-N	302.315	2.117	5	40	DEBB	
CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1O	97109261	DKSFSBLVEKYOQN-UHFFFAOYSA-N	301.302	2.358	5	40	DEBB	
CC1([N+](=O)[O-])COP(=O)(OCCc2ccccc2)OC1	1686555	UDJBUOHLAHTZIS-UHFFFAOYSA-N	301.235	2.436	5	40	DEBB	
C[C@H]1CCC[C@H](C)N1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	6795685	VDTTVMJMGFSKMF-QWRGUYRKSA-N	313.379	2.051	5	40	DEBB	
O=C(OCC(=O)N1CCCCCCC1)c1ccc([N+](=O)[O-])o1	61254076	BWNRTIMWMBRAMK-UHFFFAOYSA-N	310.306	2.137	5	40	DEBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nnc(C2CC2)s1	24022010	UGKCIFJCNXPBLT-UHFFFAOYSA-N	320.330	2.341	5	40	DEBB	
Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1[N+](=O)[O-]	102596336	YDFMWYMVTGEARZ-VGDYDELISA-N	306.366	2.191	5	40	DEBB	
O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1	58162214	QJUFPQDDOBSPQT-UHFFFAOYSA-N	323.312	2.310	5	40	DEBB	
C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1	58364420	RZSKPYUUAPLEOA-VXGBXAGGSA-N	317.345	2.185	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CCCC2)C1	35835535	HTFHJRLPHRWFJR-OAHLLOKOSA-N	303.362	2.295	5	40	DEBB	
Cc1ccnc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1	569377	URPKJZLSGXIJNF-UHFFFAOYSA-N	316.342	2.425	5	40	DEBB	
C[C@H]1Oc2ccc(Nc3ncccc3[N+](=O)[O-])cc2NC1=O	12527049	PHKYVLSXJHJPHH-MRVPVSSYSA-N	300.274	2.453	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])C1	3502524	JRPLBVJAMMYFSS-VXGBXAGGSA-N	320.345	2.256	5	40	DEBB	
O=[N+]([O-])c1ccccc1NC[C@@]1(N2CCOCC2)CCSC1	29625760	GCFSMRQTAKWRHN-HNNXBMFYSA-N	323.418	2.215	5	40	DEBB	
COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(C)c1[N+](=O)[O-]	12768274	FJYNKFQXLLRPBE-LBPRGKRZSA-N	306.318	2.071	5	40	DEBB	
Nc1c(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc(F)cc1[N+](=O)[O-]	69537505	RVJONCLQVJGRFG-YPMHNXCESA-N	323.324	2.100	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1	12986888	LWCJFXQNJILNEU-UHFFFAOYSA-N	309.285	2.428	5	40	DEBB	
COc1cccc(OC)c1C(=O)Nc1ncc([N+](=O)[O-])s1	4141576	HWYJVLHSIKGBNU-UHFFFAOYSA-N	309.303	2.321	5	40	DEBB	
C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1	65433429	MTMMRQYBOIPZNL-LBPRGKRZSA-N	321.377	2.346	5	40	DEBB	
CC(C)Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	9054247	CYECHTZXSSSVFU-UHFFFAOYSA-N	314.363	2.167	5	40	DEBB	
Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1-n1cnnn1	78997274	ZDWVJIMXVNLSCZ-UHFFFAOYSA-N	310.317	2.491	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(F)c2)c1	113939401	FIKBECUSFUUATR-UHFFFAOYSA-N	310.306	2.212	5	40	DEBB	
O=[N+]([O-])c1ccn(C[C@H](O)CO[C@H]2CCCc3ccccc32)n1	195545790	OAXNPHYNIFPLJS-ZFWWWQNUSA-N	317.345	2.246	5	40	DEBB	
O=C([C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1	96411535	QHRRZWDMRXTWFR-HNNXBMFYSA-N	317.389	2.429	5	40	DEBB	
Cc1ccc(C(=O)N2CC(Oc3ccncc3)C2)cc1[N+](=O)[O-]	69367844	LDBHMLXIFHNBIA-UHFFFAOYSA-N	313.313	2.202	5	40	DEBB	
O=C(O)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	12021744	VTFMIVQQHIFMBZ-UHFFFAOYSA-N	300.270	2.474	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccccc1Cl	2796391	DQHYZYYAONJEJX-UHFFFAOYSA-N	308.725	2.183	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])c(NCc2ccco2)c([N+](=O)[O-])c1	26508884	BOUMDOFNQQNTQZ-UHFFFAOYSA-N	321.245	2.495	5	40	DEBB	
Cc1csc(=O)n1CCC(=O)OCc1cccc([N+](=O)[O-])c1	22369775	GSZBNIYELCYKAI-UHFFFAOYSA-N	322.342	2.260	5	40	DEBB	
O=[N+]([O-])c1ccc(NCC2(N3CCOCC3)CCCCC2)nc1	12999961	RYRUSBJBKWDOFC-UHFFFAOYSA-N	320.393	2.437	5	40	DEBB	
Cc1cc(N[C@@H]2CS(=O)(=O)c3ccccc32)ncc1[N+](=O)[O-]	97376181	HFBQBWGWZGPMDK-LLVKDONJSA-N	319.342	2.239	5	40	DEBB	
CC[C@H](C)[C@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	97376218	PCCILVQACCXJPM-IUCAKERBSA-N	301.368	2.089	5	40	DEBB	
COc1cc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])cc1F	101626111	VDBUDPJDPGVPIO-NSHDSACASA-N	307.325	2.193	5	40	DEBB	
C[C@@H](NC(=O)CCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@@H]2CC[C@@H]1C2	101997957	OORRNYREZRRNPB-LPWJVIDDSA-N	306.366	2.122	5	40	DEBB	
COc1cc(F)c([N+](=O)[O-])c(NCc2nnc3ccccn23)c1	76094751	GQLVMLJHDDUCNV-UHFFFAOYSA-N	317.280	2.397	5	40	DEBB	
CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1	32932291	TYQMUNVYONILLO-OLZOCXBDSA-N	305.334	2.275	5	40	DEBB	
Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(O)c([N+](=O)[O-])c1	97237025	FIAZKHKCWQHTEP-ZETCQYMHSA-N	305.290	2.396	5	40	DEBB	
O=c1oc2ccc([N+](=O)[O-])cc2c(N2CCCC2)c1[N+](=O)[O-]	5770024	AQMUEUDBWFJFEO-UHFFFAOYSA-N	305.246	2.210	5	40	DEBB	
O=C1NC(=S)N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	12428906	FRHFXSMLBDTBLY-XFFZJAGNSA-N	315.310	2.200	5	40	DEBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[C@H]1CC1(Cl)Cl	15354782	KIDRLIFVLTXJAV-ZCFIWIBFSA-N	315.112	2.385	5	40	DEBB	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1	6850978	JPHNUNDBIZCGGU-NHYWBVRUSA-N	300.314	2.447	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCCOCc1ccccc1	177050709	CLKCDMUOEKSBNG-UHFFFAOYSA-N	314.341	2.470	5	40	DEBB	
COc1cc(F)cc2sc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])nc12	69975602	NVSBFDIPJVONOB-RQJHMYQMSA-N	311.294	2.048	5	40	DEBB	
Cc1cc([N+](=O)[O-])cc(Br)c1N1CCN(C)CC1	45885968	JGLFBZGIKLHBQS-UHFFFAOYSA-N	314.183	2.418	5	40	DEBB	
CCOC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2CC)C1	226314684	QJKHEWGFTHOGJQ-NSHDSACASA-N	306.318	2.073	5	40	DEBB	
O=[N+]([O-])c1ccc(CSc2nc(O)c3c[nH]nc3n2)cc1	18169640	YEOMXDRPMXLQRS-UHFFFAOYSA-N	303.303	2.259	5	40	DEBB	
CCC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)O	36837664	CEQVXXHZHGDBSZ-SECBINFHSA-N	300.698	2.231	5	40	DEBB	
COc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1	32779607	VRGWQDURNZJGNH-NOZJJQNGSA-N	309.322	2.292	5	40	DEBB	
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1	4412261	JKCBHIJWJHKLAU-UHFFFAOYSA-N	309.281	2.188	5	40	DEBB	
Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)O)n1	4714550	CLMWNONAIDOHBO-UHFFFAOYSA-N	307.287	2.310	5	40	DEBB	
Cc1nc([N+](=O)[O-])c(NC[C@@H](O)c2ccc(F)c(F)c2)n1C	103278283	JKNXDSPRMDGDJO-LLVKDONJSA-N	312.276	2.060	5	40	DEBB	
COCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	25306377	LZSZKCXJBGBEKU-UHFFFAOYSA-N	316.313	2.377	5	40	DEBB	
Cc1cc(C(=O)OCC(=O)N2CCCCCC2)ccc1[N+](=O)[O-]	3317351	NBTIPHJJKQUXGW-UHFFFAOYSA-N	320.345	2.463	5	40	DEBB	
O=C(CSc1ncn[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-]	6505497	NYKJHNWIVGQHPN-UHFFFAOYSA-N	313.726	2.097	5	40	DEBB	
O=C(NCCCn1ccnc1)c1ccc(Cl)c([N+](=O)[O-])c1	4663852	MDPRKBDITYOVMD-UHFFFAOYSA-N	308.725	2.265	5	40	DEBB	
O=C(O)[C@@H](c1ccc([N+](=O)[O-])cc1)[S@@](=O)Cc1ccco1	77028706	DNKPBQVNNBANEQ-XUSGNXJCSA-N	309.299	2.262	5	40	DEBB	in-vitro
Cc1cccc(OCCNC(=O)Nc2ccncc2[N+](=O)[O-])c1	95454807	DCIRSSUQNTYNSU-UHFFFAOYSA-N	316.317	2.499	5	40	DEBB	
CCN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	45886536	BSVNDHLTAJGLPH-UHFFFAOYSA-N	314.729	2.298	5	40	DEBB	
COC(=O)c1cc2cc(Cn3cc([N+](=O)[O-])cn3)ccc2o1	172695252	FPBMUOSHQVREJM-UHFFFAOYSA-N	301.258	2.372	5	40	DEBB	
O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	101901144	FEJDYDOXAGLJBF-XXHBBNRNSA-N	320.276	2.195	5	40	DEBB	
CON(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1	36739264	TYTVDJRACLLRHE-UHFFFAOYSA-N	307.350	2.465	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(=O)c1ccco1	12770018	SIAVPIISTGKVCE-UHFFFAOYSA-N	317.301	2.255	5	40	DEBB	
CC(C)OC(=O)c1ccc2ncc3c(=O)nc(N)sc3c2c1	34925913	MHNJZDAMKOFCMJ-UHFFFAOYSA-N	315.354	2.352	5	40	DEBB	
O=[N+]([O-])c1ccccc1OCCOc1nnc2ccccn12	96501066	ADIJOXHGVNDXCG-UHFFFAOYSA-N	300.274	2.095	5	40	DEBB	
O=C(COc1ccc(C(=O)O)cc1[N+](=O)[O-])NC1CCCCC1	13053894	SQGNSJBGXWLYDO-UHFFFAOYSA-N	322.317	2.121	5	40	DEBB	
Cc1nn(C)c(NC[C@@H](O)c2ccc(F)c(F)c2)c1[N+](=O)[O-]	51961497	VILVVZXZLGZJLO-LLVKDONJSA-N	312.276	2.060	5	40	DEBB	
Cc1sc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-]	84028509	OTTCPPZKGDNYDN-GXTWGEPZSA-N	318.354	2.353	5	40	DEBB	
CC[C@H]1CN(C(C)=O)[C@H](CC)CN1c1ncccc1[N+](=O)[O-]	106923128	IQACYCUPYJIURQ-OLZOCXBDSA-N	306.366	2.216	5	40	DEBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CCCC[C@H]21	83884227	UAFQNLHFXSUQCU-HUUCEWRRSA-N	319.361	2.420	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1	12567984	JZXHJXXYCFBFGD-AOOOYVTPSA-N	302.334	2.314	5	40	DEBB	
CC1CCN(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)CC1	3271150	VQXDCNSXURTPAB-UHFFFAOYSA-N	306.318	2.010	5	40	DEBB	
O=c1cc(COc2ccccc2[N+](=O)[O-])nc2sccn12	3382095	XFIILTSDKHZFNI-UHFFFAOYSA-N	303.299	2.243	5	40	DEBB	
Cc1cc(S(N)(=O)=O)ccc1CNc1ccccc1[N+](=O)[O-]	390835254	HWOHFALCRLYYEZ-UHFFFAOYSA-N	321.358	2.163	5	40	DEBB	
CN(C(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1	69588838	FOYYAQDROQSRFG-UHFFFAOYSA-N	300.318	2.079	5	40	DEBB	
O=[N+]([O-])c1cnn(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1	65515089	YBMHNZUFHHPPHC-CYBMUJFWSA-N	316.317	2.315	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cnn(C)c1C	97103705	LXLVXLFHERDEHN-UHFFFAOYSA-N	303.322	2.267	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)N[C@@H](C)c1ccc(F)cc1	225477610	ZEBFWUATEZXREP-JTQLQIEISA-N	306.297	2.116	5	40	DEBB	
CCOC(=O)c1nc2ccc([N+](=O)[O-])cn2c1Br	40564755	LFMWDQFGDBAUIL-UHFFFAOYSA-N	314.095	2.182	5	40	DEBB	
CCS(=O)(=O)c1cc([N+](=O)[O-])c(Br)s1	3040613	HWOYFTWYXHNHNF-UHFFFAOYSA-N	300.155	2.212	5	40	DEBB	
Cc1ccc(O)c(NC(=O)CSc2[nH]nc(C)c2[N+](=O)[O-])c1	4872894	JEEHKZYEWREUEN-UHFFFAOYSA-N	322.346	2.371	5	40	DEBB	
COc1ccc(C(=O)N[C@@H](C)c2ccncc2)cc1[N+](=O)[O-]	6125270	UANNTZAAZHMFPC-JTQLQIEISA-N	301.302	2.489	5	40	DEBB	
Cn1cc(C(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1	72304725	ZDYQNJGLQCTRPF-UHFFFAOYSA-N	303.322	2.385	5	40	DEBB	
Cc1nnc(S/C(=C\c2cc([N+](=O)[O-])ccc2O)C(=O)O)o1	38276282	UZKSLPVHYDUGGA-YHYXMXQVSA-N	323.286	2.210	5	40	DEBB	
O=C(NCCNc1ccc(F)cc1[N+](=O)[O-])c1ccc(O)cc1	47538004	OPTNIHMBWVKBHU-UHFFFAOYSA-N	319.292	2.281	5	40	DEBB	
Cc1noc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1C	194609339	BYQDXZJLHIUYOO-UHFFFAOYSA-N	311.319	2.142	5	40	DEBB	
C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1	12823052	WOUKGDOMONFDLZ-VXGBXAGGSA-N	308.382	2.290	5	40	DEBB	
COCCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	8027159	TWVXVTCBRLKKKV-UHFFFAOYSA-N	321.377	2.207	5	40	DEBB	
Cc1cccc(C)c1OC[C@@H](O)CNc1ccc([N+](=O)[O-])cn1	58441724	BJIYOVFICFBUIP-AWEZNQCLSA-N	317.345	2.458	5	40	DEBB	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)s1	106710237	DPBPNMVGCNZKQK-SECBINFHSA-N	323.378	2.084	5	40	DEBB	
O=C(OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21)C1CCC1	16747323	XGPWTGWAQOEWQG-UHFFFAOYSA-N	318.329	2.217	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCC(C3OCCO3)CC2)c([N+](=O)[O-])c1	69276458	ARYOQUGTWUHWBU-UHFFFAOYSA-N	323.305	2.092	5	40	DEBB	
Cc1nn(C)c(NCc2ccccc2-n2ccnc2)c1[N+](=O)[O-]	91506140	MZTDDVDZCVOVHF-UHFFFAOYSA-N	312.333	2.435	5	40	DEBB	
O=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1[N+](=O)[O-])C2=O	4578302	CZKYBZJXQUUZHT-UHFFFAOYSA-N	312.237	2.094	5	40	DEBB	
CC[C@H](NC(=O)c1ccn(C)c(=O)c1)c1cccc([N+](=O)[O-])c1	96454697	ZOMMEMUUOSXXDQ-AWEZNQCLSA-N	315.329	2.175	5	40	DEBB	
CCOc1cccc(N[C@H]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-]	97140727	LOZVSFDOACJJPY-MNOVXSKESA-N	307.350	2.450	5	40	DEBB	
Cc1nn(C)c(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1[N+](=O)[O-]	101988346	YDFMWYMVTGEARZ-HKWIRBFKSA-N	306.366	2.191	5	40	DEBB	
CC(C)(C)OC(=O)N1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1	71894551	ILLSIIVHFYOOJM-JTQLQIEISA-N	308.338	2.411	5	40	DEBB	
Cc1nn(CN2CCN(c3ccccc3)CC2)c(C)c1[N+](=O)[O-]	25499972	XFCMIKZOAPPQAH-UHFFFAOYSA-N	315.377	2.188	5	40	DEBB	
C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	4806526	SHYQJOLAKCOEJA-VXNVDRBHSA-N	312.709	2.386	5	40	DEBB	
CO[C@@H](C)c1noc(CN2CCc3cc([N+](=O)[O-])ccc32)n1	83115453	CEWFOYIZBPNTNZ-VIFPVBQESA-N	304.306	2.248	5	40	DEBB	
CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1	9317855	FUXRAXYJKMBDLR-CYBMUJFWSA-N	303.318	2.221	5	40	DEBB	
CN(C[C@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cn1	71902796	MKSTYKRPHJIGLZ-HNNXBMFYSA-N	317.345	2.004	5	40	DEBB	
O=C(NC[C@H](O)c1ccsc1)c1cc(F)ccc1[N+](=O)[O-]	96475405	RHTITXXMFFMPGO-LBPRGKRZSA-N	310.306	2.259	5	40	DEBB	
Cc1cc([C@@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)c(C)s1	95452333	CPRYLNOYCNDDJE-MRVPVSSYSA-N	308.363	2.498	5	40	DEBB	
Cc1ccc(OCC(=O)Nc2cccnc2Cl)c([N+](=O)[O-])n1	4891509	MBFXNNFVCOWZQA-UHFFFAOYSA-N	322.708	2.364	5	40	DEBB	
CC(C)CNc1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1	5249661	NCWAOSJXFBZNIV-UHFFFAOYSA-N	308.386	2.271	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)Cc1ccccc1	71926408	SPOZTNDFCVPQQU-AWEZNQCLSA-N	315.329	2.320	5	40	DEBB	
CNc1nc(CNc2nc3sccn3c2[N+](=O)[O-])cs1	76061302	XWOUJCSRUNBANE-UHFFFAOYSA-N	310.364	2.414	5	40	DEBB	
Nc1ccc(C(=O)Nc2ccc(-n3cccn3)nc2)cc1[N+](=O)[O-]	29852173	GCRTWSQGACDURK-UHFFFAOYSA-N	324.300	2.010	5	40	DEBB	
COC(=O)CCS[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	7658638	OGKXRMYGISKCAQ-VIFPVBQESA-N	312.347	2.218	5	40	DEBB	
Cc1nn(CC(=O)N2CC[C@H]3CCCC[C@@H]3C2)c(C)c1[N+](=O)[O-]	8132773	UHINTQXPCIXAJP-ZIAGYGMSSA-N	320.393	2.447	5	40	DEBB	
CO[C@@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)c1ccccc1	78904389	NQBHHKHRJSERPD-HNNXBMFYSA-N	315.329	2.493	5	40	DEBB	
Cc1nc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C	72665144	ZRXRZGXOQPKQFR-LBPRGKRZSA-N	317.349	2.281	5	40	DEBB	
N#CN(CC(=O)Nc1nccs1)c1ccc(F)c([N+](=O)[O-])c1	95993793	SHFWADXSIAYVHW-UHFFFAOYSA-N	321.293	2.117	5	40	DEBB	
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)c1ccccc1	69379345	JQZNVNJTUKZZGQ-GFCCVEGCSA-N	316.361	2.274	5	40	DEBB	
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccccn1	96451003	JIDMAULKMIOIDK-UHFFFAOYSA-N	321.358	2.085	5	40	DEBB	
O=C(OCCN1CCCC1=O)c1cc([N+](=O)[O-])ccc1Cl	57359293	QKZKOADCZKVALC-UHFFFAOYSA-N	312.709	2.027	5	40	DEBB	
CCOC(=O)Cn1ccc(-c2ccc(OC)c([N+](=O)[O-])c2)n1	57530741	HLSRREAGWTXEMF-UHFFFAOYSA-N	305.290	2.030	5	40	DEBB	
Cc1ncc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)s1	63502534	QMIGMKZTTIHLTB-UHFFFAOYSA-N	306.347	2.202	5	40	DEBB	
Cc1nn(C)c(C)c1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	15113563	CWTIDWCVPJPSDR-UHFFFAOYSA-N	324.362	2.092	5	40	DEBB	
CN(Cc1nnc2ccccn12)c1cccc(F)c1[N+](=O)[O-]	71904162	ZDKPLWXUCJUVGO-UHFFFAOYSA-N	301.281	2.413	5	40	DEBB	
COCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	409146571	TZZJRWNTYNMDHK-DHZHZOJOSA-N	308.315	2.278	5	40	DEBB	
Cc1c(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cccc1[N+](=O)[O-]	46162494	XHVDVJBWOGAGKW-NSHDSACASA-N	305.334	2.099	5	40	DEBB	
CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O	139275565	WVYOQBQMGUDWKE-GFCCVEGCSA-N	324.333	2.457	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(N)nc3)CC2)c1	88715950	NQNYYPQFDMRZFQ-UHFFFAOYSA-N	313.361	2.207	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1N[C@@H]1c1ccc([N+](=O)[O-])cc1	1686024	MDYONHHLJLMUBM-ZIAGYGMSSA-N	313.269	2.399	5	40	DEBB	
CC(C)(C)NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	10402356	SDJJCHQMXVJTFW-BQYQJAHWSA-N	307.375	2.397	5	40	DEBB	
Cc1c(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-]	106853022	QLZKXELTOPYTGQ-RYUDHWBXSA-N	314.407	2.157	5	40	DEBB	
Cc1nn(CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c(C)c1[N+](=O)[O-]	8132772	UHINTQXPCIXAJP-UONOGXRCSA-N	320.393	2.447	5	40	DEBB	
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1	7059124	JEBBSXRXORAWSA-JTQLQIEISA-N	307.331	2.029	5	40	DEBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1	408571040	MZRZYBDAHWLRJT-PUOKJFKWSA-N	323.352	2.255	5	40	DEBB	
CN(Cc1cccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	30921409	LQOSFSMRTYACLF-UHFFFAOYSA-N	305.359	2.387	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-]	100179693	CELZKNVTSCTQFY-NQWMYEDTSA-N	324.336	2.461	5	40	DEBB	
CCOC(=O)c1cc(C(=O)NCC2CCC2)cc([N+](=O)[O-])c1	26138822	GHSKGDBRZRSTEW-UHFFFAOYSA-N	306.318	2.301	5	40	DEBB	
O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCCCC1	802734	IBPUKGKJPSHQEI-UHFFFAOYSA-N	302.286	2.327	5	40	DEBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)N1CCCCC1	3228536	MYQUDZLCIISGHP-CMDGGOBGSA-N	318.329	2.164	5	40	DEBB	
CCOc1cc([N+](=O)[O-])c(C(=O)OCc2ccon2)cc1OC	71914297	WDLIBTSFLCKJFK-UHFFFAOYSA-N	322.273	2.347	5	40	DEBB	
CC(C)Cn1ccnc1CNC(=O)c1ccc(O)c([N+](=O)[O-])c1	97112824	JMPOWKCNDGKPLP-UHFFFAOYSA-N	318.333	2.083	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@H]1c1ncc[nH]1	97373311	QJYJLRHLYKSWKB-LBPRGKRZSA-N	316.317	2.391	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COCC(F)(F)F	40544297	YSEFTTOXKDIVAB-UHFFFAOYSA-N	308.212	2.121	5	40	DEBB	
CS(=O)(=O)c1ccc2c(c1)-c1ccc([N+](=O)[O-])cc1C2=O	1701591	PCWMOJYWKRJWCQ-UHFFFAOYSA-N	303.295	2.210	5	40	DEBB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	42029	KJWRCLGUELYADF-ZDUSSCGKSA-N	319.317	2.174	5	40	DEBB	
CC(C)(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1	48288956	RVTKZGLKFCGYKJ-UHFFFAOYSA-N	306.366	2.439	5	40	DEBB	
C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc(Cl)cc1	15611612	VSHXHYCNBZRWQG-QMMMGPOBSA-N	321.720	2.428	5	40	DEBB	
CC1CC(=O)N(CCCOc2ccc([N+](=O)[O-])cc2)C(=O)C1	89751742	JKQPWTCMBWQOLR-UHFFFAOYSA-N	306.318	2.149	5	40	DEBB	
CC[C@](Cl)([C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96520556	DRBTWQSIPJLCPW-GHMZBOCLSA-N	307.755	2.018	5	40	DEBB	
CN(C)C[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	97080681	VDDIABZALDXEHU-JTQLQIEISA-N	311.769	2.272	5	40	DEBB	
Cc1cc(NC(=O)c2ccnn2C)c2cc([N+](=O)[O-])ccc2n1	97142428	KRVVKYCHQAMIGR-UHFFFAOYSA-N	311.301	2.437	5	40	DEBB	
CCOc1ccc(C(=O)OCCn2cccn2)cc1[N+](=O)[O-]	52766150	YECCISYGBLHBEZ-UHFFFAOYSA-N	305.290	2.047	5	40	DEBB	
COc1nonc1OCCNc1ccc([N+](=O)[O-])cc1Cl	4547989	KGZONWLGXKGELL-UHFFFAOYSA-N	314.685	2.131	5	40	DEBB	
Cc1ccc(=O)n(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1	89687964	UESYIHYHUNKEIJ-UHFFFAOYSA-N	312.285	2.163	5	40	DEBB	
Cc1cnc(NC(=O)[C@H](C)Cn2nc([N+](=O)[O-])cc2C)s1	2792068	CEYSVPXPMYAVDW-SSDOTTSWSA-N	309.351	2.139	5	40	DEBB	
C[C@@H](NC(=O)CCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@H]2CC[C@H]1C2	102596320	OORRNYREZRRNPB-VOAKCMCISA-N	306.366	2.122	5	40	DEBB	
COCc1cccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1	25334609	ZFNFNOKVPZLFAI-UHFFFAOYSA-N	318.333	2.193	5	40	DEBB	
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]	7549300	VMNZEJCXQIPJLZ-LLVKDONJSA-N	318.333	2.351	5	40	DEBB	
O=C(O)c1cc([N+](=O)[O-])ccc1NCn1nnc2ccccc21	4015192	GXAYFGSPRSVKBO-UHFFFAOYSA-N	313.273	2.107	5	40	DEBB	
CCN(CC(C)(C)O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1	97014184	XWCHASFMDLCUKU-LLVKDONJSA-N	309.366	2.458	5	40	DEBB	
O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc([N+](=O)[O-])cc1	5731112	NLWZQRAMASOOPY-UHFFFAOYSA-N	302.242	2.251	5	40	DEBB	
C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)CCC[C@H]1C	103490872	QETSVXHUMUSHDS-VWYCJHECSA-N	324.333	2.286	5	40	DEBB	
C[C@H](OC(=O)c1ccncc1)C(=O)Nc1cccc([N+](=O)[O-])c1	3250576	QRRUZTUFKYWWHI-JTQLQIEISA-N	315.285	2.174	5	40	DEBB	
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1nccs1	124817391	IZNYUFNMRDHKJJ-QMMMGPOBSA-N	307.331	2.290	5	40	DEBB	
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1=O	70197245	BXSIYPCQXDHQEG-UHFFFAOYSA-N	307.693	2.199	5	40	DEBB	
Cc1nn(CC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	101616014	STBDLLKQQLGKQE-OJAKKHQRSA-N	306.366	2.041	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	100178274	JEBWFSNKIKHTIJ-BCIPIUJLSA-N	310.309	2.152	5	40	DEBB	
O=C(c1ccc(F)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1	95992871	BCYXYJIGUZRVAD-UHFFFAOYSA-N	301.277	2.327	5	40	DEBB	
COC(=O)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	5669515	BBHBEMIJWCXBJL-AATRIKPKSA-N	318.329	2.020	5	40	DEBB	
Cn1cc([N+](=O)[O-])cc1C(=O)NCCc1cccc2cccnc12	29453720	KZRNAGZYDRYDJP-UHFFFAOYSA-N	324.340	2.454	5	40	DEBB	
COC(=O)[C@@](C)(Br)Cc1ccc([N+](=O)[O-])cc1	2669164	BDZMSWVMHVSEBT-NSHDSACASA-N	302.124	2.464	5	40	DEBB	
Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-]	101226393	QXUCKAQNPSJPTF-GMXVVIOVSA-N	310.375	2.370	5	40	DEBB	
C[C@H]1CN(C(C)(C)CNc2ncccc2[N+](=O)[O-])C[C@@H](C)O1	28936728	AEMACSOUEDFOML-TXEJJXNPSA-N	308.382	2.290	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(Cl)cc2)c1	40516046	OJFNUNGWFMTVQC-UHFFFAOYSA-N	322.704	2.245	5	40	DEBB	
CCOc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	6647876	REMBOOXDGUEIQK-UHFFFAOYSA-N	318.333	2.446	5	40	DEBB	
Cc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[nH]n1	47555426	SXYJOXPSGQNOTR-UHFFFAOYSA-N	301.306	2.453	5	40	DEBB	
C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	4806520	SHYQJOLAKCOEJA-CBAPKCEASA-N	312.709	2.386	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(c3ncccn3)CC2)c(Cl)c1	7779801	OPOJTOCPFGZMSJ-UHFFFAOYSA-N	319.752	2.365	5	40	DEBB	
COC(=O)c1cccc2c([N+](=O)[O-])c(O)cc(C(=O)OC)c12	3094477	WIDCXLHZJCVUHU-UHFFFAOYSA-N	305.242	2.027	5	40	DEBB	
NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	57127429	HNMYJUOTIAZDNX-MRVPVSSYSA-N	317.267	2.315	5	40	DEBB	
CNC(=O)[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1	58311558	SRWCQKJFWSHYBU-MRXNPFEDSA-N	313.357	2.480	5	40	DEBB	
CC(C)(C)N1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1	63726265	CXNRHHIMLWYJBT-UHFFFAOYSA-N	319.405	2.470	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@]2(CCCOC2)C1	80106052	ZCMWTPDGEHEXFG-MRXNPFEDSA-N	320.345	2.333	5	40	DEBB	
Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1[N+](=O)[O-]	32934782	KVLHGCQQAWKDRQ-UHFFFAOYSA-N	324.300	2.336	5	40	DEBB	
COc1cccc(F)c1[C@H](C)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	96426703	UJWKVWSJCFNSRV-ZETCQYMHSA-N	322.296	2.265	5	40	DEBB	
CNC(=O)c1ccc(N[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1	69532769	PZCZOURTLVNZCE-CQSZACIVSA-N	315.329	2.100	5	40	DEBB	
Cc1nn(C)c(NCCc2cccc(CN(C)C)c2)c1[N+](=O)[O-]	70040620	SKPIGPOQBCOSGU-UHFFFAOYSA-N	317.393	2.353	5	40	DEBB	
CCOC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	226300630	IKIWTQRZRZWABM-PHIMTYICSA-N	308.334	2.385	5	40	DEBB	
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cn1	7545167	XLQSVGDYSZINNS-MRVPVSSYSA-N	322.708	2.444	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@H](O)CO[C@H]2CCCc3ccccc32)c1	95438794	ZAMHKMHHAIYOMN-HOCLYGCPSA-N	317.345	2.246	5	40	DEBB	
CCc1ccc(/C=C/c2nc3ncnn3c(O)c2[N+](=O)[O-])cc1	12413215	LHHRAYWLJFOQPY-BQYQJAHWSA-N	311.301	2.471	5	40	DEBB	
O=C1C[C@@H](Nc2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1	4869708	WDDYSLDORHSBDM-CQSZACIVSA-N	311.297	2.339	5	40	DEBB	
NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1	79097510	KZBQUZOBPDHVRY-OLZOCXBDSA-N	320.349	2.151	5	40	DEBB	
CN(Cc1cccn1C)C(=O)NCCc1ccc([N+](=O)[O-])cc1	95966159	MMZFMKBWLCUQOK-UHFFFAOYSA-N	316.361	2.317	5	40	DEBB	
CCc1ccc(NC(=O)NCc2noc(C)n2)cc1[N+](=O)[O-]	95403802	DDQLILRKAJNVOL-UHFFFAOYSA-N	305.294	2.170	5	40	DEBB	
CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)s1	5200137	RJYZIZFENIOLGT-UHFFFAOYSA-N	321.362	2.327	5	40	DEBB	
C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1	65477215	IJDVFHSSFNBPSO-GFCCVEGCSA-N	302.334	2.101	5	40	DEBB	
Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	4868490	OVWPISKBCHBNQR-UHFFFAOYSA-N	317.257	2.442	5	40	DEBB	
Cc1ccc(NC(=O)C(=O)NCc2cccs2)c([N+](=O)[O-])c1	10327441	ZPSQAQFMBLKWNM-UHFFFAOYSA-N	319.342	2.220	5	40	DEBB	
CC(C)(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/C(=O)O	1951067	SXTHIMACGDLPOR-CMDGGOBGSA-N	306.318	2.363	5	40	DEBB	
Cc1cccc(COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1	6070977	WLHCQDNKMPUJMG-UHFFFAOYSA-N	303.318	2.460	5	40	DEBB	
Cc1noc(/C=C/c2ccc3c(c2)n(C)c(=O)n3C)c1[N+](=O)[O-]	4771086	XHVXJPZGWMQVEB-FNORWQNLSA-N	314.301	2.252	5	40	DEBB	
Cc1occc1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1	69082270	GIXDEAZVHVNVSM-UHFFFAOYSA-N	319.317	2.374	5	40	DEBB	
O=C(NC1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	8313045	ATMFMPKNSAHWNP-UHFFFAOYSA-N	315.333	2.238	5	40	DEBB	
COC(=O)c1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1	3490937	HBDVVAWIPGEDOF-UHFFFAOYSA-N	316.269	2.273	5	40	DEBB	
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)O)cc2[N+](=O)[O-])C1	13079422	GCCRCENIRCAAIE-LLVKDONJSA-N	322.317	2.073	5	40	DEBB	
Cc1ccnc([C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C2CC2)n1	95986974	NIVWOCOWLFZPGW-GFCCVEGCSA-N	302.290	2.167	5	40	DEBB	
COc1cc(C(=O)N[C@H]2CC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1C	195579919	NABSZIMXRUKSLC-STQMWFEESA-N	321.377	2.124	5	40	DEBB	
CN(C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1	4995798	IKKOTDOXXKSPEE-UHFFFAOYSA-N	317.257	2.485	5	40	DEBB	
O=C(NCCNc1ccc([N+](=O)[O-])cn1)c1ccccc1Cl	32923645	OBEMRVMLFGANCQ-UHFFFAOYSA-N	320.736	2.485	5	40	DEBB	
CC(=O)N(CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(C)C	48317081	AVCKKUOSFILZCE-UHFFFAOYSA-N	321.377	2.280	5	40	DEBB	
Cc1nn(CC(=O)NC2[C@@H](C)CCC[C@@H]2C)c(C)c1[N+](=O)[O-]	72274699	XOQYCTONSBPXBS-UWVGGRQHSA-N	308.382	2.349	5	40	DEBB	
C[C@H](C[S@@](C)=O)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	97107412	JLUHKUJSODMWKN-GLEHDBDLSA-N	319.770	2.137	5	40	DEBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1	408571039	MZRZYBDAHWLRJT-PLDPNSPWSA-N	323.352	2.255	5	40	DEBB	
CCOC(=O)c1ccc(Sc2nc(C)n[nH]2)c([N+](=O)[O-])c1	70462355	GQUKEDWLFNEHSK-UHFFFAOYSA-N	308.319	2.349	5	40	DEBB	
CC[C@@]1(C)CN(C(=O)NCc2ccccc2[N+](=O)[O-])CCO1	195574699	KUNRUIMZSDYCNK-HNNXBMFYSA-N	307.350	2.305	5	40	DEBB	
Cc1nc2cc([N+](=O)[O-])cc(N3CCCCC3)c2c(=O)n1C	6659462	KOLBZKUEMSXMEM-UHFFFAOYSA-N	302.334	2.140	5	40	DEBB	
O=C(Nc1cccnc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	294095	UVEVIVDCZQMKIR-UHFFFAOYSA-N	311.253	2.349	5	40	DEBB	
O=[N+]([O-])c1ccn(C[C@@H](O)CO[C@H]2CCCc3ccccc32)n1	195545789	OAXNPHYNIFPLJS-HIFRSBDPSA-N	317.345	2.246	5	40	DEBB	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	265593326	GLIYCVYZKHJLNK-RVBZMBCESA-N	305.290	2.421	5	40	DEBB	
NC(=O)Cn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21	2191364	VIVUEVFLMWYJNR-UHFFFAOYSA-N	314.257	2.096	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-]	102596307	STBDLLKQQLGKQE-XYJRDEOASA-N	306.366	2.041	5	40	DEBB	
C[N+](C)(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1	6519604	ORQOLTMIVNWOPH-MRXNPFEDSA-N	306.426	2.325	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccccc2Cl)CC1	8309068	UIIJURYMHWOVJY-UHFFFAOYSA-N	321.768	2.308	5	40	DEBB	
CC(C)CC(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8902432	XEIVCXAGVWCZTB-UHFFFAOYSA-N	307.350	2.416	5	40	DEBB	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4806486	VPTURLFCUVSXGA-APPZFPTMSA-N	312.709	2.386	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCn1cccn1	97163168	GHTXUQDQNAOZCV-UHFFFAOYSA-N	303.322	2.312	5	40	DEBB	
Cc1ccncc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	95995779	IZNRDWYBRKIBCG-UHFFFAOYSA-N	307.331	2.240	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@@H](O)CO[C@H]2CCCc3ccccc32)cn1	73753567	SNNBYVBLFONQBQ-HIFRSBDPSA-N	317.345	2.246	5	40	DEBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1F	3458036	AESXVFLYVCQRHA-UHFFFAOYSA-N	310.306	2.212	5	40	DEBB	
O=C(Cn1nnnc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	8295618	LANDNLSJTORKQU-UHFFFAOYSA-N	309.285	2.131	5	40	DEBB	
COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](OC)C(C)(C)C)c1	73209556	URJAYUWZEVWLGH-CYBMUJFWSA-N	310.350	2.394	5	40	DEBB	
O=[N+]([O-])c1cccc([C@@H](O)Cn2nnc(-c3ccsc3)n2)c1	193405112	CANOSNQVDRSYKR-LBPRGKRZSA-N	317.330	2.043	5	40	DEBB	
CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	245339252	RMSJPTBAKZEWNE-FVQBIDKESA-N	318.373	2.409	5	40	DEBB	
CCOc1cccc([N+](=O)[O-])c1C(=O)NCCn1cccc1	280882391	GDCVIXQYCJPMAE-UHFFFAOYSA-N	303.318	2.225	5	40	DEBB	
CCc1c(C(=O)Cn2cnc([N+](=O)[O-])c2)[nH]c(C)c1C(C)=O	67945099	KPLMXQDGNLJHTQ-UHFFFAOYSA-N	304.306	2.076	5	40	DEBB	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Cl)cc1Cl	196082	PGTAHGRDBDRSQN-UHFFFAOYSA-N	316.104	2.132	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N1CCN(c2cccc(Cl)c2)CC1	7124504	HACQNZLGFDZUKT-UHFFFAOYSA-N	321.768	2.308	5	40	DEBB	
Cn1ccnc1CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1	105793598	RUWBLVITFSXJEG-UHFFFAOYSA-N	301.350	2.182	5	40	DEBB	
CCc1ccc(OC[C@@H](O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	24843795	LFFNKCCEVKREEB-AWEZNQCLSA-N	319.361	2.410	5	40	DEBB	
Cc1nn(CC(=O)N(C)Cc2ccc(F)cc2)c(C)c1[N+](=O)[O-]	3449713	QSXBNJLMLRJUSI-UHFFFAOYSA-N	320.324	2.206	5	40	DEBB	
CO[C@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)c1ccccc1	78904394	NQBHHKHRJSERPD-OAHLLOKOSA-N	315.329	2.493	5	40	DEBB	
C[C@@H]1C[C@H](OC[C@@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1	13306595	FDQUJFFWDKRYJR-PMPSAXMXSA-N	300.463	2.056	5	40	DEBB	
COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCC3(C2)OCCO3)c1	95990698	CKCBBNJHMHKXJG-VIFPVBQESA-N	312.297	2.450	5	40	DEBB	
Cc1nn([C@@H](C)c2nc(-c3ccncc3)no2)c(C)c1[N+](=O)[O-]	1422037	CWRUZZUGGJMCAW-JTQLQIEISA-N	314.305	2.462	5	40	DEBB	
Cc1c([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nn1C	102596315	FNGDPHYAAHYWBE-PDEGPIFNSA-N	306.366	2.191	5	40	DEBB	
O=[N+]([O-])c1cccnc1NCCS(=O)(=O)Cc1ccccc1	41620933	SPPVQYUGCOWRBX-UHFFFAOYSA-N	321.358	2.017	5	40	DEBB	
CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	71894554	RAYFFVQMYZRSEO-SNVBAGLBSA-N	308.338	2.411	5	40	DEBB	
CC(C)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	48340074	UGSXFRLPWRGWGH-UHFFFAOYSA-N	305.378	2.399	5	40	DEBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)n1	102568791	WEGIZRZHRSLDFI-IRCOFANPSA-N	306.366	2.366	5	40	DEBB	
CCc1noc(C)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1	15139308	CLGSECCGKWDWKZ-UHFFFAOYSA-N	318.333	2.296	5	40	DEBB	
CC(C)[C@H](O)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	97162514	UUDLBXFAOYYBNQ-GFCCVEGCSA-N	300.742	2.385	5	40	DEBB	
CCC[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	32436411	UFKVZZZEQLOSMW-SNVBAGLBSA-N	316.379	2.413	5	40	DEBB	
CCCNC(=O)CN(CCC)C(=O)c1cccc([N+](=O)[O-])c1C	55826980	BPLZEZVGXHTXSQ-UHFFFAOYSA-N	321.377	2.282	5	40	DEBB	
CCOc1cccc(N[C@H]2CC(=O)N(C3CC3)C2)c1[N+](=O)[O-]	97140748	MIQLENMETRESOB-JTQLQIEISA-N	305.334	2.169	5	40	DEBB	
O=C(O)c1nn(-c2cc(Cl)ccc2Cl)nc1[N+](=O)[O-]	89263389	RZSMGKPBMKJWCW-UHFFFAOYSA-N	303.061	2.181	5	40	DEBB	
Cc1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)nn1C	89273832	WBTBGQVHZLRUSZ-UHFFFAOYSA-N	303.322	2.001	5	40	DEBB	
CS(=O)(=O)Nc1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1	5275123	ZMHCICXWPLGFBW-UHFFFAOYSA-N	307.331	2.216	5	40	DEBB	
CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN(c2ccccc2)C1=O	71911572	PHIZWSJFYRFZML-CQSZACIVSA-N	312.329	2.232	5	40	DEBB	
CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1	10328248	FGXWJJZGAICXDR-CYBMUJFWSA-N	303.318	2.221	5	40	DEBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)O)cc1	48280	XYBKSWJFEYCZCW-UHFFFAOYSA-N	316.269	2.311	5	40	DEBB	
CS[C@@H]1CCC[C@H]1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	107146006	WPKPBRVICVSWIX-TZMCWYRMSA-N	323.418	2.410	5	40	DEBB	
Cc1ccccc1-n1nnnc1Sc1ccc([N+](=O)[O-])nc1	12635629	OVCRMFWLRASIOZ-UHFFFAOYSA-N	314.330	2.425	5	40	DEBB	
C[C@H]1CCCN(c2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])C1	4660153	LYGOUTWKSRSRPB-QMMMGPOBSA-N	309.278	2.438	5	40	DEBB	
CC(C)CN1CC[C@@]2(O)Oc3ccc([N+](=O)[O-])cc3C=C2C1	4863272	PAFPXGOUKLXZBO-MRXNPFEDSA-N	304.346	2.421	5	40	DEBB	
O=C1[C@@H](n2cc([N+](=O)[O-])cn2)CCN1c1cccc(Cl)c1	97048009	PMUKCTYKUJKFBO-LBPRGKRZSA-N	306.709	2.423	5	40	DEBB	
CCc1ncc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)s1	65105322	VZSQVMFIYVWMSS-UHFFFAOYSA-N	320.374	2.456	5	40	DEBB	
CON(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1	25155619	QHIRUDKNYOZAHS-NSHDSACASA-N	307.350	2.465	5	40	DEBB	
Cn1c2ccccc2c(=O)c2c3cc4c(cc3nnc21)OCO4	25329006	MVFRMDVAMCKDLA-UHFFFAOYSA-N	305.293	2.364	5	40	DEBB	
CC(=O)Nc1cccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])c1	15166369	JTNSNGHQJXSRJS-UHFFFAOYSA-N	315.285	2.444	5	40	DEBB	
CCn1ccs/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1	408564104	XTPLKYJNOYBMLB-YPKPFQOOSA-N	307.331	2.227	5	40	DEBB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCC(C)(C)CO	84325884	WLYABNJBYKGNTA-UHFFFAOYSA-N	323.393	2.189	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c(C)csc1=O	30780182	PEWQFZCMWHJIRL-UHFFFAOYSA-N	321.358	2.464	5	40	DEBB	
CN(C)C(=O)c1cccc(CCNc2ncccc2[N+](=O)[O-])c1	78340580	NRLVJRHAPOVSPE-UHFFFAOYSA-N	314.345	2.346	5	40	DEBB	
CCc1ncc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)s1	65048240	LNAGXCJOIAVDLT-NSHDSACASA-N	321.358	2.077	5	40	DEBB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N+]1(C)CCOCC1	245231262	AFBPXWUCOGYWBU-XMTFNYHQSA-N	314.490	2.302	5	40	DEBB	
COCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F	47864393	AMNREWCTBFTFCD-UHFFFAOYSA-N	319.264	2.354	5	40	DEBB	
C[C@H]1CN(C[C@@H]2CCCN2c2ncccc2[N+](=O)[O-])C[C@@H](C)O1	160480462	DOKPVWFTFVGPBY-MJBXVCDLSA-N	320.393	2.068	5	40	DEBB	
CNC(=O)c1ccsc1NC(=O)c1cccc([N+](=O)[O-])c1	4281742	NNLRPYVSKVIMMJ-UHFFFAOYSA-N	305.315	2.268	5	40	DEBB	
O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1	1934337	MHGRRAYGTBNQQC-UHFFFAOYSA-N	300.270	2.390	5	40	DEBB	
CCN(C[C@H](C)C(=O)OC)C(=O)c1cccc(C)c1[N+](=O)[O-]	58363643	HMAVAJAOYIMBML-NSHDSACASA-N	308.334	2.174	5	40	DEBB	
Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	100220055	QXUCKAQNPSJPTF-WZRBSPASSA-N	310.375	2.370	5	40	DEBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1	102596349	WEGIZRZHRSLDFI-RHYQMDGZSA-N	306.366	2.366	5	40	DEBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2	101615091	QKRPPPVEODGOAI-IGHBBLSQSA-N	320.393	2.431	5	40	DEBB	
Cc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2C(N)=O)c(C)c1	48265370	YYKJRIVZXCZHLL-UHFFFAOYSA-N	314.345	2.342	5	40	DEBB	
Cn1c(=O)n(C)c2cc3nc4c(nc3cc21)[nH]c1ccccc14	6534014	PEWWDAGXIRUNDN-UHFFFAOYSA-N	303.325	2.455	5	40	DEBB	
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)nn2)c1	72281619	BJFHLUAAHDFQHS-UHFFFAOYSA-N	308.681	2.299	5	40	DEBB	
CC1(C)[C@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21	95433815	RVHHHUJUGJFYNG-BETUJISGSA-N	310.375	2.012	5	40	DEBB	
Cc1nn(CCNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Cl	12420483	OATRLQIPRDGHTR-UHFFFAOYSA-N	322.752	2.492	5	40	DEBB	
CCCCNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2	22836580	HHLCJKLONAWUIO-SNAWJCMRSA-N	306.318	2.391	5	40	DEBB	
CNC(=O)c1ccc(N[C@@H](C)C(C)(C)CN(C)C)c([N+](=O)[O-])c1	72296159	QPNZBAXPITVGSH-NSHDSACASA-N	322.409	2.343	5	40	DEBB	
CNc1nc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cs1	72306133	UEDKUCZFPOVVQA-UHFFFAOYSA-N	307.335	2.415	5	40	DEBB	
Cc1nc(Cn2nnc(-c3cccc([N+](=O)[O-])c3)n2)sc1C	88521233	LEDBMVXMNZKPLD-UHFFFAOYSA-N	316.346	2.370	5	40	DEBB	
C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CCOC1	96486826	NZFWIXOASGZGMU-SFYZADRCSA-N	300.261	2.028	5	40	DEBB	
Cc1ccn2cc(C(=O)NCc3ccccc3[N+](=O)[O-])nc2c1	46148808	BUWFFLRXIIDPJS-UHFFFAOYSA-N	310.313	2.481	5	40	DEBB	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	97162356	KRLYDWWRZOIEBT-MRVPVSSYSA-N	320.353	2.069	5	40	DEBB	
O=C(COc1cccc([N+](=O)[O-])c1)N1CCOc2ccccc21	32624462	KPHMKNNTJWYYFT-UHFFFAOYSA-N	314.297	2.399	5	40	DEBB	
C[C@@H](Cn1cccn1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	47993927	PUSSSQJICMNGML-SYTKJHMZSA-N	300.318	2.009	5	40	DEBB	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Oc1ccccc1	5665062	KDQSEXIQWIVWLQ-UHFFFAOYSA-N	304.283	2.123	5	40	DEBB	
O=C(CCn1cccn1)Nc1cc(Cl)cc([N+](=O)[O-])c1O	97046251	JNKNKRSLSYKFAA-UHFFFAOYSA-N	310.697	2.179	5	40	DEBB	
CCO[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	79741486	MPYLRNVZHKXZOC-CYBMUJFWSA-N	321.377	2.059	5	40	DEBB	
O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1F)c1cc([N+](=O)[O-])c[nH]1	585139838	JTBMFBQVBCKKOS-PWSUYJOCSA-N	307.256	2.487	5	40	DEBB	
Cc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)ccc1[N+](=O)[O-]	24884645	DUPRDGDRJHKBHX-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
CN(C)c1ccc(COC(=O)c2cccnc2)cc1[N+](=O)[O-]	96010116	JMKCUMHXVRRLCB-UHFFFAOYSA-N	301.302	2.413	5	40	DEBB	
Cc1ccc2ncc3c(N)nc(N)c(C(=O)N4CCCC4)c3c2c1	224841490	WFQRTYXTARQKCH-UHFFFAOYSA-N	321.384	2.492	5	40	DEBB	
Cc1cccc(-n2nc([N+](=O)[O-])c(NCCC(C)C)[n+]2[O-])c1	4922695	HNMAXERTJMFMHR-UHFFFAOYSA-N	305.338	2.180	5	40	DEBB	
Cc1cnc(Sc2nnc(CN3CCCC3)o2)c([N+](=O)[O-])c1	78626208	JBZOPEDXQQFENW-UHFFFAOYSA-N	321.362	2.428	5	40	DEBB	
Cc1c(Cn2cc(-c3nnco3)ccc2=O)cccc1[N+](=O)[O-]	58171044	RJLFOZGDDVVWFC-UHFFFAOYSA-N	312.285	2.163	5	40	DEBB	
O=C(CCNc1ccccc1[N+](=O)[O-])O[C@@H]1CCCCC1=O	11310747	NJUXSIAMICEMEL-CQSZACIVSA-N	306.318	2.452	5	40	DEBB	
O=C(O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	18190488	LMVDYTLTYZEEPL-UHFFFAOYSA-N	316.269	2.311	5	40	DEBB	
COc1ccc(OCCn2cccc(C)c2=O)c([N+](=O)[O-])c1	96007390	NQGIGQJZIFBDQS-UHFFFAOYSA-N	304.302	2.153	5	40	DEBB	
OCCCNC(=S)Nc1cc2ncccc2c2cccnc12	408974279	DTFGAMIBUBXKPJ-UHFFFAOYSA-N	312.398	2.452	5	40	DEBB	
C[N+](C)(C)C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2	226072425	BWPQZLABYAOAQM-LESVLKBLSA-N	312.474	2.056	5	40	DEBB	
CC(C)[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCS1	96432252	RNIRDBVPXMMQHL-ZDUSSCGKSA-N	309.391	2.391	5	40	DEBB	
Cc1cccc(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c1C	5988551	DCCBTHGOESQNHV-UHFFFAOYSA-N	315.377	2.272	5	40	DEBB	
NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1	10075983	XCJKWWJJPPZMBJ-LLVKDONJSA-N	324.289	2.179	5	40	DEBB	
Cc1ccc(-c2ccc(/C=C3\NC(=O)NC3=O)o2)cc1[N+](=O)[O-]	12462451	WJRKIEZGSVCANQ-XFFZJAGNSA-N	313.269	2.344	5	40	DEBB	
O=C(NCCCn1cccn1)c1ccc(Cl)cc1[N+](=O)[O-]	24773159	NSHAAVDXPSXZLI-UHFFFAOYSA-N	308.725	2.265	5	40	DEBB	
C[C@H]1CCCN(c2nc(N3CCCCC3)nc(N)c2[N+](=O)[O-])C1	5156465	ZGSNKSOHCGOCKI-NSHDSACASA-N	320.397	2.194	5	40	DEBB	
O=C(c1ccccn1)N1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1	79111726	WUJYKUCUDDMEJV-LBPRGKRZSA-N	312.329	2.316	5	40	DEBB	
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCSC1	95442794	XEVXVRJEOPIXTD-GFCCVEGCSA-N	309.391	2.332	5	40	DEBB	
CCOCc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1	4696294	KACJVLXEYCZUOE-UHFFFAOYSA-N	308.319	2.235	5	40	DEBB	
COc1cc(N[C@@H]2CCN(c3cnn(C)c3)C2)ccc1[N+](=O)[O-]	84318584	HBFKVSLUSCTCLF-GFCCVEGCSA-N	317.349	2.028	5	40	DEBB	
COc1c(C)cnc(CN(C)c2c([N+](=O)[O-])c(C)nn2C)c1C	79353771	FALKVVHKDIUDCX-UHFFFAOYSA-N	319.365	2.294	5	40	DEBB	
COc1ccc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1	4548893	YBKMHDFTCNBRKN-UHFFFAOYSA-N	319.317	2.308	5	40	DEBB	
COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	16635146	JRPXCQVXHKSKFS-UHFFFAOYSA-N	302.286	2.239	5	40	DEBB	
Cc1cc(O[C@H](C)C(=O)NC(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	8257153	VUXLKQWEVXPKHK-SNVBAGLBSA-N	323.349	2.295	5	40	DEBB	
C[C@@H](NCC1(N(C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1	95968020	TUXYRYWGASJYIK-CYBMUJFWSA-N	307.394	2.356	5	40	DEBB	
O=[N+]([O-])c1cnccc1NCCc1nc(-c2ccco2)n[nH]1	96410268	PBRXKRGJIJMEEK-UHFFFAOYSA-N	300.278	2.023	5	40	DEBB	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)Cc1ccco1	46033626	SBARXXNJMQEQEX-UHFFFAOYSA-N	310.331	2.317	5	40	DEBB	
O=C(OCc1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCCO2	10321060	XENYJQQFPKERKP-UHFFFAOYSA-N	316.269	2.118	5	40	DEBB	
O=C1C[C@H](c2ccccc2)N(c2ccc([N+](=O)[O-])cn2)CCN1	69490301	BDULIYCGAHAZMP-CQSZACIVSA-N	312.329	2.057	5	40	DEBB	
C[C@H]1CC(=O)NCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	71889457	UFKJRPUFEPJHJH-QMMMGPOBSA-N	317.267	2.328	5	40	DEBB	
CCc1ccc2nc(Cc3ccc([N+](=O)[O-])cn3)[nH]c(=O)c2c1	96500006	VNPQFDRVCJAJOM-UHFFFAOYSA-N	310.313	2.380	5	40	DEBB	
C[C@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1	95422654	RBLBMKCWTJCNJZ-LRDDRELGSA-N	317.393	2.282	5	40	DEBB	
Cc1cnc([C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C2CC2)s1	96427247	QAZMATCWYLZQKW-VIFPVBQESA-N	306.351	2.295	5	40	DEBB	
O=C(Nc1ccccc1O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2383791	HMQOJYMXOROBGH-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
CCOC(=O)COc1ccc(Br)cc1[N+](=O)[O-]	39957262	SRRPEZQNZGHKTA-UHFFFAOYSA-N	304.096	2.299	5	40	DEBB	
Cn1cc(CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1	78877769	UVDHSADISTWYOF-UHFFFAOYSA-N	322.752	2.344	5	40	DEBB	
CN(C)c1ncccc1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1	79725641	RKNSRHLFLVOKHQ-UHFFFAOYSA-N	314.345	2.261	5	40	DEBB	
CN1C[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	169650494	LPFQBRLLIVANGO-MZMPZRCHSA-N	323.352	2.209	5	40	DEBB	
O=[N+]([O-])c1cccc2c1nnn2C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2	12375033	YJHYNMFMFAOKRK-IUOZQUQDSA-N	314.345	2.380	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@@H](O)COCc2ccccc2Cl)cn1	24761020	KADNLRWOXATGJS-LLVKDONJSA-N	311.725	2.022	5	40	DEBB	
O=[N+]([O-])c1cnc(NC[C@@H]2CCCNC2)c(Br)c1	93434277	IEWUDKFLEULYHB-MRVPVSSYSA-N	315.171	2.164	5	40	DEBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCc2cccc(F)c21	69390851	WGXSWLKRZBPFFF-UHFFFAOYSA-N	318.308	2.218	5	40	DEBB	
COC(=O)c1cc(SC(=O)N(C)C)c(OC)cc1[N+](=O)[O-]	74942128	SDCGQAXAAIARJP-UHFFFAOYSA-N	314.319	2.164	5	40	DEBB	
O=C(NCCCn1cc(Cl)cn1)c1ccc([N+](=O)[O-])cc1	2795599	BLHHUUSVTROZTI-UHFFFAOYSA-N	308.725	2.265	5	40	DEBB	
O=C(NC1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	3151762	DYGIRVDHIFGZTR-UHFFFAOYSA-N	309.278	2.271	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1ccsc1	61975062	RIIUTQORXXLYMG-CYBMUJFWSA-N	306.343	2.049	5	40	DEBB	
CCC1(CC)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCS1	274315864	RXBZPQQHYMCAEI-UHFFFAOYSA-N	324.406	2.201	5	40	DEBB	
COC(=O)CCCCCCCC[C@@H](O)C[N+]1(C)CCOCC1	5253979	UZVSSGIULGHDLK-MRXNPFEDSA-N	316.462	2.118	5	40	DEBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cccn1C	23870766	VZUDGNAHXTXDGM-UHFFFAOYSA-N	317.301	2.015	5	40	DEBB	
N[C@@H](c1ccccc1)c1nc(-c2cc([N+](=O)[O-])ccc2O)n[nH]1	95533482	DKBLNNCGNBUODK-ZDUSSCGKSA-N	311.301	2.134	5	40	DEBB	
C[C@H]1CCc2cc(F)ccc2N1C(=O)c1nn(C)cc1[N+](=O)[O-]	2753822	NNCHQBAHWQYUFQ-VIFPVBQESA-N	318.308	2.449	5	40	DEBB	
CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccs1	25215425	SRMPUJOOZMVAAG-UHFFFAOYSA-N	312.372	2.477	5	40	DEBB	
O=C(NCCc1ccccc1F)c1ccc([N+](=O)[O-])c(O)c1	14022104	JFFSOBDUNKMOGV-UHFFFAOYSA-N	304.277	2.412	5	40	DEBB	
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CO)C2)cc1[N+](=O)[O-]	84190168	OFCOQYRGFHYMDX-OLZOCXBDSA-N	321.377	2.378	5	40	DEBB	
CCOc1ccc(N2CCc3ccc([N+](=O)[O-])cc3C2)nn1	97082662	PWBKKSISDZEVDS-UHFFFAOYSA-N	300.318	2.346	5	40	DEBB	
O=C(COc1ccccc1[N+](=O)[O-])N1CCOc2ccccc21	32624464	KCFLOWUIKHGDNK-UHFFFAOYSA-N	314.297	2.399	5	40	DEBB	
Cc1noc(C)c1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N	195577143	DJKCXGPSTFQZBU-UHFFFAOYSA-N	318.333	2.144	5	40	DEBB	
Cc1ccc(NCCCNC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1	96416805	BLTBKGAEDNUTDD-CQSZACIVSA-N	307.350	2.000	5	40	DEBB	
CCN(C[C@@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])ccc1NC	58246487	GLIVCMFBZIWTQY-NSHDSACASA-N	307.350	2.135	5	40	DEBB	
Cc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	2625613	PKZGWQAIHIWULO-UHFFFAOYSA-N	304.258	2.292	5	40	DEBB	
Cc1cc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nc(C)n1	32781797	TUJAFDNIIPFULG-UHFFFAOYSA-N	318.358	2.393	5	40	DEBB	
C[C@H](Cn1ccnc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	47265012	RMGINTIVICNBJK-BTDICHCPSA-N	300.318	2.009	5	40	DEBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1	5055087	UJGRYTLMPQLFOP-UHFFFAOYSA-N	306.326	2.018	5	40	DEBB	
CN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1	9388546	XRIQXFKPHZQCKS-UHFFFAOYSA-N	304.375	2.470	5	40	DEBB	
O=[N+]([O-])c1ccc(NCc2ccc(COCCO)c(F)c2)cn1	95398335	ZVHSHLNQGIVWPV-UHFFFAOYSA-N	321.308	2.250	5	40	DEBB	
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1nccs1	124817521	IZNYUFNMRDHKJJ-MRVPVSSYSA-N	307.331	2.290	5	40	DEBB	
CC[C@@](Cl)([C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96520554	DRBTWQSIPJLCPW-MNOVXSKESA-N	307.755	2.018	5	40	DEBB	
O=C(O)c1ccc(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	1556187	JGWJPMYOQRTWEX-UHFFFAOYSA-N	316.225	2.432	5	40	DEBB	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1	3512310	BLDXTRWLDLGPPV-UHFFFAOYSA-N	310.265	2.074	5	40	DEBB	
COc1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC	5834979	XIZMGXPAZIEXHG-UHFFFAOYSA-N	317.301	2.455	5	40	DEBB	
CCN(CC(C)(C)O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1	97014181	XWCHASFMDLCUKU-NSHDSACASA-N	309.366	2.458	5	40	DEBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCC[C@H]1N	96461355	XFUNPXPJAGYWHA-ZIAGYGMSSA-N	305.378	2.461	5	40	DEBB	
CC1(C)C[C@]2(C)C[C@@H]1C[C@@H]2NC(=O)CC[N+]1(C)CCOCC1	100499727	VQORVKOBAJQQRB-MPGHIAIKSA-O	309.474	2.184	5	40	DEBB	
CCOC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1nccn1C	58282087	MTHRIZWHBFPZTD-JLHYYAGUSA-N	301.302	2.432	5	40	DEBB	
Cc1cccc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c1[N+](=O)[O-]	69304535	IOWZQPGWCHIBDP-GFCCVEGCSA-N	320.345	2.128	5	40	DEBB	
CN(C[C@H]1CCCO1)C(=O)CCOc1ccccc1[N+](=O)[O-]	69811670	ULVGTNQCWQIPQL-GFCCVEGCSA-N	308.334	2.001	5	40	DEBB	
COC(=O)CCCCCCCC[C@H](O)C[N+]1(C)CCOCC1	5253982	UZVSSGIULGHDLK-INIZCTEOSA-N	316.462	2.118	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@H](O)CO[C@H]2CCCc3ccccc32)cn1	73753572	SNNBYVBLFONQBQ-ZFWWWQNUSA-N	317.345	2.246	5	40	DEBB	
O=c1ccc([N+](=O)[O-])cn1CCSc1ncc2ccccn12	95435763	VSPSXWZMZKDDDB-UHFFFAOYSA-N	316.342	2.197	5	40	DEBB	
CC(C)[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])c1)c1ccccc1	12748479	ISLDQOJRORTPQI-OAHLLOKOSA-N	302.334	2.305	5	40	DEBB	
Cc1nc([N+](=O)[O-])c(NCCCC(=O)OC2CCCC2)n1C	101101423	QWHMQJNZKFKTCN-UHFFFAOYSA-N	310.354	2.315	5	40	DEBB	
O=c1c2ccccc2nc2sc3nc4ccccc4c(=O)n3n12	1585126	ODPZHWIKNIZNGO-UHFFFAOYSA-N	320.333	2.070	5	40	DEBB	
CC1(C)NC(=O)N(CCSCc2ccccc2[N+](=O)[O-])C1=O	75584394	BWPQSLNJYQUZDC-UHFFFAOYSA-N	323.374	2.158	5	40	DEBB	
Cc1cccc2sc(NC(=O)Cn3ccc([N+](=O)[O-])n3)nc12	43269007	QWFXOVCJXFKICL-UHFFFAOYSA-N	317.330	2.348	5	40	DEBB	
Cc1cccc2c1nc(O)n1nc(-c3ccccc3)c(=O)nc21	71924197	ATCIJEVZBXCZBS-UHFFFAOYSA-N	304.309	2.319	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](O)(C(F)(F)F)C1	72294413	RJXUURQSHVVHCG-GFCCVEGCSA-N	318.251	2.043	5	40	DEBB	
CS(=O)(=O)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1	4517770	MVJZDSNPVBOABF-UHFFFAOYSA-N	320.326	2.251	5	40	DEBB	
CC(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]	4981353	GGUNATOPTOBDEG-ZDUSSCGKSA-N	320.349	2.116	5	40	DEBB	
O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NCc1cccs1	3246783	LAWDRBCFYIJKIB-UHFFFAOYSA-N	320.326	2.130	5	40	DEBB	
Cn1cc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccc1=O	68008862	QMTJFXVVFOTTRL-UHFFFAOYSA-N	307.693	2.199	5	40	DEBB	
C[C@@H]1CC[C@@H]2[C@@H](C[N+](C)(C)C)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@H]13	229592050	SNGWWISTWVXYJT-ZTAPHHKNSA-N	308.442	2.218	5	40	DEBB	
COc1cccc(NC(=O)[C@H](C)Cn2nc([N+](=O)[O-])cc2C)c1	2796274	NAWKRFIXIGUWAW-SNVBAGLBSA-N	318.333	2.383	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccccc1	3285661	BPDWBRUPDCOGHV-UHFFFAOYSA-N	306.299	2.452	5	40	DEBB	
Cc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1	2239157	KUOVULPEPIWEQN-UHFFFAOYSA-N	308.293	2.453	5	40	DEBB	
CCCOc1ccc([C@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1OC	5002961	WQIDWXWPOXVSDW-CYBMUJFWSA-N	321.333	2.346	5	40	DEBB	
N[C@@H](CCCCNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O	59382385	GNTBZRNFSIHJRL-VIFPVBQESA-N	301.730	2.242	5	40	DEBB	
COC(=O)[C@](C)(Br)Cc1ccc([N+](=O)[O-])cc1	2669163	BDZMSWVMHVSEBT-LLVKDONJSA-N	302.124	2.464	5	40	DEBB	
CC(C)(C)OC(=O)NC1CCN(c2ccc([N+](=O)[O-])cn2)CC1	52450339	IKSLQMQHJCAOHU-UHFFFAOYSA-N	322.365	2.483	5	40	DEBB	
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(C(=O)O)c1O	20139738	NKNKANPOMUZTNK-UHFFFAOYSA-N	306.230	2.152	5	40	DEBB	
Cn1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1=O	97031922	HKJLHHLYMMXRRE-UHFFFAOYSA-N	307.693	2.199	5	40	DEBB	
CN(C)c1ncncc1NC(=O)CCc1cccc([N+](=O)[O-])c1	89322907	AKGDLKTXCZJTQK-UHFFFAOYSA-N	315.333	2.022	5	40	DEBB	
Cc1nn(C)c(NC[C@H](O)c2ccc(F)c(F)c2)c1[N+](=O)[O-]	51961495	VILVVZXZLGZJLO-NSHDSACASA-N	312.276	2.060	5	40	DEBB	
CCOC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	226300644	IKIWTQRZRZWABM-GHMZBOCLSA-N	308.334	2.385	5	40	DEBB	
CC(C)(C)OC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	6085186	KTKFCQHKGRZZHG-RMKNXTFCSA-N	307.302	2.493	5	40	DEBB	
Cc1cc(C(=O)N[C@@H](CO)c2ccccc2)cc([N+](=O)[O-])c1	97047510	ZCKBIRZTIZUNIR-HNNXBMFYSA-N	300.314	2.367	5	40	DEBB	
Cc1c(CN2CC[C@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-]	96424606	WUGDHHXPXUSOFV-OAHLLOKOSA-N	319.405	2.057	5	40	DEBB	
CC(C)(C)c1cc(NC(=O)COc2cccnc2[N+](=O)[O-])on1	18533290	LDOPNJMOQQNJOZ-UHFFFAOYSA-N	320.305	2.293	5	40	DEBB	
COC(=O)c1cc(C(=O)NC2CCCCC2)cc([N+](=O)[O-])c1	60837	CSVFTALQWDAZHV-UHFFFAOYSA-N	306.318	2.444	5	40	DEBB	
O=C(Nc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3123758	UGZXORHTRUGXFV-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
CN(C)c1ccc(C(=O)NCCc2cccnc2)cc1[N+](=O)[O-]	12545882	SWUNIWIZPUHAGO-UHFFFAOYSA-N	314.345	2.028	5	40	DEBB	
O=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1csc([N+](=O)[O-])c1	69507745	QNBYUDSIBFTQQJ-UHFFFAOYSA-N	321.358	2.267	5	40	DEBB	
CCOc1cccc(N2CCC[C@H](CC(N)=O)C2)c1[N+](=O)[O-]	97108545	WVOMESMLLIYIRJ-LLVKDONJSA-N	307.350	2.085	5	40	DEBB	
O=[N+]([O-])c1ccc(N[C@@H](Cn2cncn2)c2ccccc2)nc1	78334071	PZCJHPTWQQQKEC-AWEZNQCLSA-N	310.317	2.435	5	40	DEBB	
O=C(Cn1cc(Cl)c([N+](=O)[O-])n1)NCCC1=CCCCC1	544705	BBQWAGNJMGFNNF-UHFFFAOYSA-N	312.757	2.451	5	40	DEBB	
C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	3312315	IDZAKSMNDYVMSB-VHSXEESVSA-N	310.306	2.040	5	40	DEBB	
Cc1ccc(O[C@H](C)C(=O)N2CCCCCC2)c([N+](=O)[O-])n1	7166142	UNGZDLXHTQDUJE-GFCCVEGCSA-N	307.350	2.468	5	40	DEBB	
Cc1n[nH]c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1C	68009442	OJTOLZKUCVKMMB-UHFFFAOYSA-N	322.708	2.201	5	40	DEBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)OCO2	7658586	GFSFCJFJMHTIIT-UHFFFAOYSA-N	317.253	2.308	5	40	DEBB	
CCS(=O)(=O)[C@@](C)(Cl)[C@H](O)c1cccc([N+](=O)[O-])c1	96520416	GQRFHNPRJYWKOG-GHMZBOCLSA-N	307.755	2.018	5	40	DEBB	
COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2c(C)noc2C)c1	96448294	SGRFPWJIHCGMAN-UHFFFAOYSA-N	305.290	2.485	5	40	DEBB	
O=C(OCc1csc([N+](=O)[O-])c1)c1cc2c([nH]c1=O)CCC2	61450434	XUUWKWJMUXLTQO-UHFFFAOYSA-N	320.326	2.190	5	40	DEBB	
O=C(CCN1CCO[C@@H]2CCC[C@@H]21)Nc1cccc([N+](=O)[O-])c1	95397367	ZCQHQSSGEPUYTB-LSDHHAIUSA-N	319.361	2.177	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1	43785686	QEDAMNUHFHIBMS-UHFFFAOYSA-N	310.306	2.212	5	40	DEBB	
CCOC(=O)c1c[nH]c(C(N)=O)c1-c1ccc([N+](=O)[O-])c(F)c1	11919380	DLGXRYLANHAWJV-UHFFFAOYSA-N	321.264	2.005	5	40	DEBB	
COc1c2c(c(OC)c3c1c(=O)c1ccccc1n3C)OCO2	4522584	TZZNUDMEMFBPQI-UHFFFAOYSA-N	313.309	2.438	5	40	DEBB	biogenic,in-vitro
COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2C)ccn1	26004110	ITOOBFGZNHXBLL-UHFFFAOYSA-N	301.302	2.237	5	40	DEBB	
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(C(F)(F)F)c1	371016	FGRBDBNSKWRHKR-UHFFFAOYSA-N	314.223	2.449	5	40	DEBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(Cl)c1	6120188	UWLNWMWBHCLUMG-UHFFFAOYSA-N	307.693	2.049	5	40	DEBB	
O=C(COc1cc([N+](=O)[O-])cc2cccnc12)N1CCCC1	535853	INBRJGXMHGATQK-UHFFFAOYSA-N	301.302	2.144	5	40	DEBB	
C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H]2CC[C@@H]1C2	101616063	YKJSYULAWIYHAE-HKUMRIAESA-N	306.366	2.122	5	40	DEBB	
C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	3330038	AFUKJCFGWHGPQK-SNVBAGLBSA-N	319.342	2.348	5	40	DEBB	
CCN(C)c1nc(N)c([N+](=O)[O-])c(Nc2ccc(OC)cc2)n1	16757495	BZKJQOSXWVUNPL-UHFFFAOYSA-N	318.337	2.175	5	40	DEBB	
C[C@@H]1CC[C@H]2[C@@H](C[N+](C)(C)C)C(=O)O[C@]23[C@@H]1CC[C@@]1(C)O[C@H]13	17251609	SNGWWISTWVXYJT-NFSMSPSDSA-N	308.442	2.218	5	40	DEBB	
O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1ccc([N+](=O)[O-])cc1	102280444	BPLOXGHFUHUKIW-COPLHBTASA-N	316.313	2.289	5	40	DEBB	
Cc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)c1	1264727	MPCFHHRLITZGNC-UHFFFAOYSA-N	303.321	2.487	5	40	DEBB	
Cc1nn(CCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	101614618	LWQZJAQNSPYGOE-IGHBBLSQSA-N	320.393	2.431	5	40	DEBB	
CC(=O)c1cccc(OCC(=O)Nc2ccncc2[N+](=O)[O-])c1	67168952	DYEPXRWTEJCWJY-UHFFFAOYSA-N	315.285	2.210	5	40	DEBB	
CC1(C)OCC(C)(C(=O)NCc2ccc([N+](=O)[O-])cc2)CO1	95453115	KGRYOUMWYVYESS-UHFFFAOYSA-N	308.334	2.000	5	40	DEBB	
O=C(O)c1ccc(Sc2nnc(C(F)F)[nH]2)c([N+](=O)[O-])c1	216904167	JEVYPSMPAJEKQL-UHFFFAOYSA-N	316.245	2.500	5	40	DEBB	
COc1ccccc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225002245	ODIVIWLMRBTBNQ-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-n2cnnn2)cc1	5034709	QVCUNHCBKBTFJX-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
COc1cccc(NP2(=O)OCC(C)([N+](=O)[O-])CO2)c1	1709708	KTWMJKJSZZEPAF-UHFFFAOYSA-N	302.223	2.297	5	40	DEBB	
C[N+]1(CCC[N+]2(C)C[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2)CCOCC1	3954197	JMKKOXFXRSJPNL-XHNZOXCMSA-N	306.494	2.142	5	40	DEBB	in-vitro
COc1cc(N2CCC[C@@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-]	96429473	JOUKYPUVWKDHSE-CYBMUJFWSA-N	319.361	2.195	5	40	DEBB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H](C)C2	96500332	XKPLYBHSAKMIHM-HZMBPMFUSA-N	314.345	2.300	5	40	DEBB	
Cc1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1	12513010	XZBDIVRAFYTXER-UHFFFAOYSA-N	307.331	2.294	5	40	DEBB	
COc1cc(NS(=O)(=O)c2ccccc2)cc([N+](=O)[O-])c1	370931	USPVWAMQFGIZLA-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
CCC[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cc(C)on1	32865405	VQFNGPLZCQHIOW-LLVKDONJSA-N	320.305	2.472	5	40	DEBB	
Cc1nn(CCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-]	102599054	LWQZJAQNSPYGOE-SAXRGWBVSA-N	320.393	2.431	5	40	DEBB	
CCc1nccn1CCCNC(=O)c1cccc([N+](=O)[O-])c1	10313970	RJTQVUVEEBZHOC-UHFFFAOYSA-N	302.334	2.174	5	40	DEBB	
COc1ccc(C(=O)OCC(=O)c2ccco2)cc1[N+](=O)[O-]	3315500	NXIBAFUFNFNCII-UHFFFAOYSA-N	305.242	2.236	5	40	DEBB	
COc1cc(N2CCC(n3cncn3)CC2)c([N+](=O)[O-])cc1F	95411822	NTKLXDYISWDSAD-UHFFFAOYSA-N	321.312	2.176	5	40	DEBB	
O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H](O)CC1CCCC1)CC2	225598333	VUDGAKLEPXLTPV-HNNXBMFYSA-N	305.378	2.289	5	40	DEBB	
CSc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1	224350400	CHJYVPPKLMDYLG-UHFFFAOYSA-N	310.360	2.349	5	40	DEBB	
Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)Cc1ccccc1	69780562	GYBTUUSDRUAXQC-UHFFFAOYSA-N	314.345	2.069	5	40	DEBB	
Cn1nc2ccc([N+](=O)[O-])cc2c1I	307204544	GOZCJEMORCBNPE-UHFFFAOYSA-N	303.059	2.086	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCN(Cc2ccccc2)C1	29588963	CUDONHKZCXOGIT-CQSZACIVSA-N	315.377	2.405	5	40	DEBB	
O=c1c2nc3ccccc3c(=O)n2ncn1-c1ccccc1Cl	1650337	FLZKYFDXSPYROR-UHFFFAOYSA-N	324.727	2.047	5	40	DEBB	
C[C@@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1	76092281	XTSHAFMSXQYLRN-OAHLLOKOSA-N	320.370	2.223	5	40	DEBB	
Cc1nn(C[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1C	191387739	MODKGRASSCELJX-AWEZNQCLSA-N	305.334	2.156	5	40	DEBB	
C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1	9469012	AVUAQIMEGKGKCB-SNVBAGLBSA-N	307.331	2.029	5	40	DEBB	
C[C@H]1CC[C@H](C)N1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	96502002	NMFBACPTOZQYFO-RYUDHWBXSA-N	312.391	2.241	5	40	DEBB	
O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1O	3150091	UPSFZAZNVVQFKH-UHFFFAOYSA-N	302.242	2.251	5	40	DEBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(F)c1	113941821	UCGYDRZTASCXIP-UHFFFAOYSA-N	310.306	2.212	5	40	DEBB	
CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1	5488857	BHRNBDYTTCSPHR-JTQLQIEISA-N	308.386	2.414	5	40	DEBB	
Cc1cnc(CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)s1	97052726	RNJIWOORHHAHJT-UHFFFAOYSA-N	321.358	2.380	5	40	DEBB	
CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1	89801996	CCHAEOCJEXDDQD-UKRRQHHQSA-N	321.377	2.455	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCN(Cc2ccccc2)C1	29588964	CUDONHKZCXOGIT-AWEZNQCLSA-N	315.377	2.405	5	40	DEBB	
NC(=O)c1ccc(COC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1	104806764	MHEKZEIFPPOCIX-KWBADKCTSA-N	318.329	2.173	5	40	DEBB	
Nc1nc(N2CCCC2)nc(NC2CCCCC2)c1[N+](=O)[O-]	6317328	OSPGYHAVNOQWOL-UHFFFAOYSA-N	306.370	2.312	5	40	DEBB	
O=[N+]([O-])c1cccc([C@H](O)Cn2nnc(-c3ccsc3)n2)c1	193405097	CANOSNQVDRSYKR-GFCCVEGCSA-N	317.330	2.043	5	40	DEBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]c(=O)[nH]c2c1	9142017	HVFXEZUKEHACAD-QPJJXVBHSA-N	324.296	2.416	5	40	DEBB	
O=[N+]([O-])c1cnn(Cc2nc3cc(Br)ccc3[nH]2)c1	97375589	LDTFQTXBURIDET-UHFFFAOYSA-N	322.122	2.478	5	40	DEBB	
Cc1n[nH]c(SCC(=O)NCc2cccs2)c1[N+](=O)[O-]	3909509	SKHBQRSCPXHWGN-UHFFFAOYSA-N	312.376	2.096	5	40	DEBB	
Cc1occc1CN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	55054112	WWFBZONNFBBCKD-UHFFFAOYSA-N	303.318	2.227	5	40	DEBB	
O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](O)C3)co2)cc1	89883498	WLEWDMSQAMIHGV-CQSZACIVSA-N	303.318	2.207	5	40	DEBB	
CCO[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])C12CCCC2	96432537	BALCZVXQXODFBZ-QWRGUYRKSA-N	322.365	2.094	5	40	DEBB	
Cc1ccn(Cc2cn3cc(Cl)ccc3n2)c(=O)c1[N+](=O)[O-]	96472056	GDFKONQZHFGPKG-UHFFFAOYSA-N	318.720	2.414	5	40	DEBB	
O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@H]2CC[C@H]1C2	248442873	LCJJZZAPIFXRPS-PGUXBMHVSA-N	315.329	2.099	5	40	DEBB	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(F)cc1F	2794438	WJYLJNDQVOCLOL-QMMMGPOBSA-N	310.260	2.344	5	40	DEBB	
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	3151778	VZWCJBHNSLOKJO-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
C[C@@H]1c2cccn2CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	23078914	IFSUTJHSVHFERO-LLVKDONJSA-N	314.345	2.072	5	40	DEBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O	222500855	FEJDYDOXAGLJBF-HYRRULHTSA-N	320.276	2.195	5	40	DEBB	
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(O)n1	390833129	CMTOCXQVNBYRMS-UHFFFAOYSA-N	323.330	2.113	5	40	DEBB	
CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@H](C)OC2=O)c1	32842871	JKZVGXAVZSKYFG-CPCISQLKSA-N	311.315	2.178	5	40	DEBB	
C[C@@H]1C[C@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1	46839130	YNSREOGESUZDSN-LDYMZIIASA-N	303.274	2.344	5	40	DEBB	
O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccn1	9750025	PNLFMDDHTRCCGW-UHFFFAOYSA-N	315.285	2.403	5	40	DEBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)NCc1cccnc1	96118470	OEIVRWSSCWXNFO-UHFFFAOYSA-N	310.313	2.261	5	40	DEBB	
O=[N+]([O-])c1ccc(N2N=N[C@@H]3CCC[C@]32N2CCOCC2)cc1	20414179	ODAVCVHDXPHEQW-HUUCEWRRSA-N	317.349	2.363	5	40	DEBB	
CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1	32932292	TYQMUNVYONILLO-STQMWFEESA-N	305.334	2.275	5	40	DEBB	
CCN(N)c1nc(C)c([N+](=O)[O-])c(Nc2ccc(OC)cc2)n1	5247200	YFBVQZPZFWITLT-UHFFFAOYSA-N	318.337	2.145	5	40	DEBB	
CCOC(=O)c1csc(NC(=O)c2cccc([N+](=O)[O-])c2)n1	193497	RWKHGHRVWOTHBG-UHFFFAOYSA-N	321.314	2.480	5	40	DEBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C2CC2)CC1	24594976	UIQUXILVDHZUOQ-GFCCVEGCSA-N	303.362	2.210	5	40	DEBB	
Cc1ccc(CN2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-]	91895067	TTWBNGFJQWMSAX-UHFFFAOYSA-N	306.362	2.285	5	40	DEBB	
Cc1ccc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1	15612153	HFFMFGGCYILHAC-NSHDSACASA-N	315.329	2.391	5	40	DEBB	
Cc1c(Cl)c([N+](=O)[O-])nn1Cc1nnc2n1CCCCC2	72334109	AXEIYRSIZGZFLL-UHFFFAOYSA-N	310.745	2.119	5	40	DEBB	
Cc1cc(S(=O)(=O)N[C@H](C)c2cccnc2)ccc1[N+](=O)[O-]	71909094	HACQHSRSGFVXNN-LLVKDONJSA-N	321.358	2.338	5	40	DEBB	
Cc1nn(C)c(NC[C@H]2CC(=O)Nc3ccccc32)c1[N+](=O)[O-]	75094621	CGIPAYPXXSOHFA-SNVBAGLBSA-N	315.333	2.175	5	40	DEBB	
CN(Cc1ccc([S@@](C)=O)cc1)c1ccncc1[N+](=O)[O-]	96453929	XKCARNGKRABJOJ-NRFANRHFSA-N	305.359	2.364	5	40	DEBB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)NC(C)(C)C)c(=O)oc12	811029	JLXOAEHMKRXXOV-UHFFFAOYSA-N	320.301	2.238	5	40	DEBB	
O=C(NC(=S)Nc1ccccn1)c1ccccc1[N+](=O)[O-]	513305	FCYQJVAWMILNBD-UHFFFAOYSA-N	302.315	2.117	5	40	DEBB	
O=[N+]([O-])c1cccnc1N1CCN(c2ccccc2O)CC1	24106598	KMOQGZLVPRNUBH-UHFFFAOYSA-N	300.318	2.022	5	40	DEBB	
Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1[N+](=O)[O-]	25131914	STBPDYBUSZKDOM-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
CC(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1	89801992	CCHAEOCJEXDDQD-DZGCQCFKSA-N	321.377	2.455	5	40	DEBB	
O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-]	409183501	UJSNDFRHLDJQKF-LBLXLQPISA-N	316.288	2.436	5	40	DEBB	
CC(=O)c1cc([N+](=O)[O-])ccc1NCCNC(=O)C(C)(C)C	225821326	MUTXHYBZJLNSFT-UHFFFAOYSA-N	307.350	2.372	5	40	DEBB	
CC[C@](Cl)([C@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	96520687	SEESPORKPZPMFG-VXGBXAGGSA-N	321.782	2.408	5	40	DEBB	
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1	6852978	JPHNUNDBIZCGGU-IAQYHMDHSA-N	300.314	2.447	5	40	DEBB	
C[C@H]1C[C@@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1	46839128	YNSREOGESUZDSN-KWQFWETISA-N	303.274	2.344	5	40	DEBB	
C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C	108467858	DEUWMUIZJBGQFJ-RYUDHWBXSA-N	312.391	2.099	5	40	DEBB	
Cc1csc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])n1	3670647	KDVJUXOKBSBORK-UHFFFAOYSA-N	307.287	2.310	5	40	DEBB	
Cc1[nH]c2ccccc2c1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	5271643	YIIDBILUXXYXEK-UHFFFAOYSA-N	311.297	2.429	5	40	DEBB	
C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[S@](C)=O	97162542	JQLVUAKLERGENA-FFVOIRBGSA-N	318.782	2.135	5	40	DEBB	
COc1ccc(NP2(=O)OCC(C)([N+](=O)[O-])CO2)cc1	1674405	PCZBFATYDHCIMM-UHFFFAOYSA-N	302.223	2.297	5	40	DEBB	
CCOC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)O[C@H](C)C1	68873489	MYEYCTIXSCBCHF-GHMZBOCLSA-N	308.334	2.385	5	40	DEBB	
Cc1ccnc(N2CC[C@@H](Oc3ccncc3)C2)c1[N+](=O)[O-]	96468232	BSIMLYKVMTUBCT-CYBMUJFWSA-N	300.318	2.351	5	40	DEBB	
O=[N+]([O-])c1nn(CCCN2CCCCC2)cc1Br	195576206	MQEMLQQKLAWEML-UHFFFAOYSA-N	317.187	2.430	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1F)[C@H]1C=C[C@H]2C1	100065470	GQGWKBHKXJCSDL-XMUKKISLSA-N	302.261	2.045	5	40	DEBB	
O=C(CCNC(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1	10463300	ONJPKKWRTXUUIP-UHFFFAOYSA-N	313.313	2.353	5	40	DEBB	
CC(=O)n1cc([C@@H](C[N+](=O)[O-])SCCN)c2ccccc21	1871948	MDKWQOMHWROFIK-CQSZACIVSA-N	307.375	2.311	5	40	DEBB	
O=C(O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	4706589	YMLUDZUNRJGLJJ-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
O=C(Nc1ccnn1CC1CC1)c1cc([N+](=O)[O-])ccc1O	97052691	HXZCCYSSQKBEEM-UHFFFAOYSA-N	302.290	2.159	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@H]3CCC[C@@H]3C2)cc1	195559643	MSDROJWKXXTQMX-CHWSQXEVSA-N	324.402	2.100	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1Sc1nc2cc([N+](=O)[O-])ccc2[nH]1	13220249	LZKIRLIUPOKKBU-UHFFFAOYSA-N	320.290	2.264	5	40	DEBB	
Cc1c([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)nn1C	101988390	FNGDPHYAAHYWBE-HKWIRBFKSA-N	306.366	2.191	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCCCC1	7781984	GKTGJFQOFZAHDV-UHFFFAOYSA-N	307.350	2.418	5	40	DEBB	
O=C(CSc1ncn[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-]	8377311	SHFHNXHJMOETIN-UHFFFAOYSA-N	313.726	2.097	5	40	DEBB	
O=C(O)CCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]	8732322	NJJJNQCJQJZXBM-UHFFFAOYSA-N	317.095	2.161	5	40	DEBB	
Cn1c(=O)nc2n(-c3ccccc3)c3ccccc3cc-2c1=O	554882	MXTACMPGPLXHPG-UHFFFAOYSA-N	303.321	2.189	5	40	DEBB	
Cc1cc(C(=O)NCC(=O)Nc2ccsc2)ccc1[N+](=O)[O-]	97083185	OEIYIMXQFSITNR-UHFFFAOYSA-N	319.342	2.333	5	40	DEBB	
CC[C@H]([C@H]1c2c(cc3c(c2OC)OCO3)CCN1C)[N+](=O)[O-]	20113874	MQCPYEYBHUVZJP-MFKMUULPSA-N	308.334	2.008	5	40	DEBB	biogenic
Cc1ccc(NC(=O)CSc2ncccn2)c([N+](=O)[O-])c1	7977032	OWGBOIQLHBPUMY-UHFFFAOYSA-N	304.331	2.424	5	40	DEBB	
O=[N+]([O-])c1cc(F)c(N2CC[C@H](O)C2)c(Br)c1	96427351	RGQIADAMKTVKJL-ZETCQYMHSA-N	305.103	2.067	5	40	DEBB	
CCN(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1	8277906	FRRABQYMMUNELO-UHFFFAOYSA-N	302.334	2.461	5	40	DEBB	
Cc1ccc(O[C@@H](C)C(=O)N2CCCCCC2)c([N+](=O)[O-])n1	7166137	UNGZDLXHTQDUJE-LBPRGKRZSA-N	307.350	2.468	5	40	DEBB	
CC(=O)c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)n(C)c1	55797921	INVATTXTSFUSLB-UHFFFAOYSA-N	301.302	2.066	5	40	DEBB	
C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2	1620937	PIPAJLPNWZMYQA-INMHGKMJSA-N	304.410	2.076	5	40	DEBB	in-man
O=C(NCCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1	21557976	YDGJDERXSBEXQV-UHFFFAOYSA-N	314.297	2.296	5	40	DEBB	
O=[N+]([O-])c1ccc2nc(NCC3(O)CCOCC3)ccc2c1	72293772	ZSXZCMXCVIRFEL-UHFFFAOYSA-N	303.318	2.096	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1c1ncc[nH]1	97373310	QJYJLRHLYKSWKB-GFCCVEGCSA-N	316.317	2.391	5	40	DEBB	
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2CO)cc1[N+](=O)[O-]	96455230	MPPWGYXFBAQMKJ-DGCLKSJQSA-N	307.350	2.131	5	40	DEBB	
O=C(NC(=S)Nc1ccccn1)c1ccc([N+](=O)[O-])cc1	365169	KDCNTNXEHBRVFE-UHFFFAOYSA-N	302.315	2.117	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1	3093756	HIZSKUVTRKAHCS-UHFFFAOYSA-N	310.306	2.212	5	40	DEBB	
COc1ccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)cc1[N+](=O)[O-]	63089570	BYPLTVPFIWNCSY-NSHDSACASA-N	320.345	2.245	5	40	DEBB	
Cc1ccc(NC(=O)CSc2cccc[n+]2[O-])c([N+](=O)[O-])c1	4825667	JCRUWPNDFVEUEI-UHFFFAOYSA-N	319.342	2.267	5	40	DEBB	
O=[N+]([O-])c1cnc(NC[C@H]2CCN(c3ccc(F)cc3)C2)nc1	96011546	PQMICXXCQPGZDT-LLVKDONJSA-N	317.324	2.462	5	40	DEBB	
COc1ccc(O[C@@H](C)C(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1	9690337	YZGBBGYJVIQFBW-VIFPVBQESA-N	321.289	2.306	5	40	DEBB	
CCOC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)O)C1	16125193	NHEAJFNQCNBDTF-SNVBAGLBSA-N	322.317	2.073	5	40	DEBB	in-vitro
CN1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	69561939	GMBBBTCSSZKYAN-KRWDZBQOSA-N	318.421	2.201	5	40	DEBB	
COc1ccc(O[C@@H](C)C(=O)NC2CCCC2)c([N+](=O)[O-])c1	5051104	YODHVHYXGDLSDR-JTQLQIEISA-N	308.334	2.430	5	40	DEBB	
Cc1ncsc1CNC(=O)NCCc1cccc([N+](=O)[O-])c1	95442702	CVJFQTMXDICHKA-UHFFFAOYSA-N	320.374	2.402	5	40	DEBB	
O=[N+]([O-])c1ccc(OC[C@H](O)CNCc2ccccc2)cc1	26897969	JEZGVYQHDSVFFU-OAHLLOKOSA-N	302.330	2.124	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=O)O)cc1	13091951	PQPQCFFEQQOFHK-UHFFFAOYSA-N	314.297	2.152	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1cccc(O)c1	2787706	GMMBLVPGFSXOAF-SECBINFHSA-N	304.306	2.080	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1[N+](=O)[O-]	100179699	CELZKNVTSCTQFY-PKJRCAFQSA-N	324.336	2.461	5	40	DEBB	
Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cs1	14312170	PWBJNRFEMJCYFO-UHFFFAOYSA-N	319.390	2.077	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NOCc2ccccc2)cc1	70272022	MRSGLMLXOQISES-UHFFFAOYSA-N	308.315	2.005	5	40	DEBB	in-vitro
Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)[C@H]2CCCO2)c1	281367235	WMZOJSMPXKVJMS-GXTWGEPZSA-N	322.361	2.356	5	40	DEBB	
CCOC(=O)[C@@H](C[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1	91302929	IGSPOQYRPVORNS-CVEARBPZSA-N	320.389	2.355	5	40	DEBB	in-vitro
C[C@@H]1CC[C@@H]2[C@@H](C[N+](C)(C)C)C(=O)O[C@]23[C@@H]1CC[C@@]1(C)O[C@H]13	17251603	SNGWWISTWVXYJT-LYFSJVCHSA-N	308.442	2.218	5	40	DEBB	
C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C)CC1	75610582	RZTQFKFLQOFHDW-NSHDSACASA-N	312.801	2.296	5	40	DEBB	
O=C(O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	3120588	OVLRXSIUWAOXBL-UHFFFAOYSA-N	314.209	2.413	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H](CN3CCOCC3)C2)cc1	76063045	DKYYUDQKLWKWNG-AWEZNQCLSA-N	305.378	2.143	5	40	DEBB	
CS[C@@H]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	110646111	WGRLHAQCJIAQFE-QWHCGFSZSA-N	323.418	2.410	5	40	DEBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H]1CCCC[C@H]1C	36425594	KNFAPERNFZWXIB-VWYCJHECSA-N	324.333	2.428	5	40	DEBB	
CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC	84721474	REQGIEZEWQJGEA-CPCISQLKSA-N	314.363	2.282	5	40	DEBB	
C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1	46952221	MNYRYKZVTXVSJD-KGLIPLIRSA-N	319.405	2.374	5	40	DEBB	
C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1cc(F)ccc1F	2794284	USVJEOSUNCJVDF-MRVPVSSYSA-N	310.260	2.344	5	40	DEBB	
Cc1cccc(C(C)C)c1NC(=O)Cn1cnc([N+](=O)[O-])n1	48210922	MKPIKOZMFQQRME-UHFFFAOYSA-N	303.322	2.257	5	40	DEBB	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	6048082	MQCBKXZEWSPFOK-UHFFFAOYSA-N	314.363	2.168	5	40	DEBB	
O=C1C[C@@H](c2ccccc2)N(c2ccc([N+](=O)[O-])cn2)CCN1	69490300	BDULIYCGAHAZMP-AWEZNQCLSA-N	312.329	2.057	5	40	DEBB	
CC[C@@H](C)[C@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	97376217	PCCILVQACCXJPM-BDAKNGLRSA-N	301.368	2.089	5	40	DEBB	
O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cscn3)C2)nc1	96443416	MXLWDZMRYLYBMC-JTQLQIEISA-N	305.363	2.133	5	40	DEBB	
O=C(Nc1ccc(-n2ccnc2)nc1)c1ccccc1[N+](=O)[O-]	24900827	PRXSMCDQRJZQMG-UHFFFAOYSA-N	309.285	2.428	5	40	DEBB	
COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1	58356682	SGFNYKLTOUIELT-LBPRGKRZSA-N	315.333	2.317	5	40	DEBB	
O=[N+]([O-])c1ncn(Cc2ccc(F)cc2Br)n1	48603224	XRUSOESRMCTXSE-UHFFFAOYSA-N	301.075	2.136	5	40	DEBB	
CC[C@@H](C(=O)Nc1cc(C)on1)n1nc(C)c([N+](=O)[O-])c1C	14019206	QZLZXCRAUOZPGR-JTQLQIEISA-N	307.310	2.294	5	40	DEBB	
COc1ccc(CN(C)[C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-]	69532286	YIMKBGLFIJUWFN-GFCCVEGCSA-N	321.377	2.046	5	40	DEBB	
CCCc1nnc2n1N=C(c1cccc([N+](=O)[O-])c1)CS2	4134972	ZOUOALVQVSGGLU-UHFFFAOYSA-N	303.347	2.497	5	40	DEBB	
CCN1CCN(c2c(Cl)cc(C(=O)O)cc2[N+](=O)[O-])CC1	70462684	OCPMNRCTAQOBPD-UHFFFAOYSA-N	313.741	2.088	5	40	DEBB	
CCCOC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1	70462351	FIRLGYAXYVAQHZ-UHFFFAOYSA-N	308.319	2.431	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)N1c2ccccc2CC[C@H]1C	193877320	ZXGPFKBFNGNXAQ-LLVKDONJSA-N	314.345	2.468	5	40	DEBB	
CCC(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C	487968	IYLGHADHMXBYGO-ZDUSSCGKSA-N	306.382	2.467	5	40	DEBB	biogenic
Cn1ccc2ccn(CCOc3cccc([N+](=O)[O-])c3)c(=O)c21	97082520	CZAYJUHLZRVSIM-UHFFFAOYSA-N	313.313	2.327	5	40	DEBB	
O=C1c2ccccc2C(=O)N1c1cc2c(cc1[N+](=O)[O-])OCO2	4070981	AMVGQXFTFXCXGB-UHFFFAOYSA-N	312.237	2.124	5	40	DEBB	
COc1c(C(=O)N2CCOCC2)cc(C(C)(C)C)cc1[N+](=O)[O-]	72206662	JWVFQVOYIFOSSI-UHFFFAOYSA-N	322.361	2.373	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1	140073330	FRGXIPBEBCCJDK-QKCSRTOESA-N	310.375	2.203	5	40	DEBB	
Cc1ccc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2c1	5641971	OSOVZCGCFVRYGX-UHFFFAOYSA-N	303.303	2.488	5	40	DEBB	
CCOC(=O)c1cccc([N+](=O)[O-])c1I	1597023	CUZUJKYHJLBZAC-UHFFFAOYSA-N	321.070	2.376	5	40	DEBB	
O=[N+]([O-])c1ccccc1OCCn1nnnc1C1CCCC1	52894142	YPEPHNWHMGOEHE-UHFFFAOYSA-N	303.322	2.318	5	40	DEBB	
Cn1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c2ccccc21	9273433	DPGUJUVABCSAOV-VOTSOKGWSA-N	312.285	2.046	5	40	DEBB	
CN(CC(=O)NCC1CC1)Cc1cc([N+](=O)[O-])ccc1Cl	25022751	BXZWXMMHZLAHPW-UHFFFAOYSA-N	311.769	2.206	5	40	DEBB	
CCN(C[C@@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C	58248487	HDJIHCBKHAMTOO-LBPRGKRZSA-N	321.377	2.159	5	40	DEBB	
CCc1nc(CCNC(=O)c2ccc([N+](=O)[O-])o2)sc1C	69632960	YPBQQKYNOLOMGP-UHFFFAOYSA-N	309.347	2.488	5	40	DEBB	
COc1ccc(Cl)cc1NC(=O)Cn1cc([N+](=O)[O-])nc1C	65711742	GRHGMWQYDHSCGP-UHFFFAOYSA-N	324.724	2.400	5	40	DEBB	
CSc1ccc(C(=O)O[C@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-]	9621530	RQMDAJPIBIWLFS-MRVPVSSYSA-N	324.358	2.141	5	40	DEBB	
CN(CC(F)(F)F)C(=O)CNc1ccc([N+](=O)[O-])cc1F	78340107	VQLZEXVIDGKZBQ-UHFFFAOYSA-N	309.219	2.167	5	40	DEBB	
CCO[C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])C12CCCC2	96432539	BALCZVXQXODFBZ-MNOVXSKESA-N	322.365	2.094	5	40	DEBB	
C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1	32156265	HYGGCVYVVXKBDP-JTQLQIEISA-N	300.318	2.309	5	40	DEBB	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c3ccccc3ncn2n1	2730975	KJRMOIYFWBRBGN-JTQLQIEISA-N	323.316	2.186	5	40	DEBB	
Cc1ccc(C(=O)NC[C@@H](C)Cn2ccnc2C)cc1[N+](=O)[O-]	47937972	SVDSULIPKLVOKR-LLVKDONJSA-N	316.361	2.474	5	40	DEBB	
CC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	10734013	LIQCUGIVEKGHMT-LLVKDONJSA-N	306.318	2.329	5	40	DEBB	
CC(C)NC(=O)CCNc1ccc([N+](=O)[O-])c2cnccc12	45026367	QSGXYZBLJJLBJH-UHFFFAOYSA-N	302.334	2.470	5	40	DEBB	
COc1cc(F)cc2sc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nc12	69975609	NVSBFDIPJVONOB-RNFRBKRXSA-N	311.294	2.048	5	40	DEBB	
C[S@](=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	97377147	PRMIKDBDLNSNTM-OAQYLSRUSA-N	308.315	2.319	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)Cc1ccccc1	71856872	JOJMNUOOHPBODP-HNNXBMFYSA-N	314.341	2.237	5	40	DEBB	
CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cncc(O)c1	95395219	GYOIMQKAZVZQEU-UHFFFAOYSA-N	301.302	2.358	5	40	DEBB	
CN(C)CCSc1ncc(Br)cc1[N+](=O)[O-]	89314373	OKILRBXGBFLTSP-UHFFFAOYSA-N	306.185	2.406	5	40	DEBB	
Cc1cccc2c1OC[C@@H](Nc1ccnc(O)c1[N+](=O)[O-])C2	585142013	LTASHYXHLLSFEC-NSHDSACASA-N	301.302	2.419	5	40	DEBB	
CC(C)(C)OC(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	19894255	JMTRLOQMXIFTGG-UHFFFAOYSA-N	322.365	2.483	5	40	DEBB	
Cc1c(C(=O)OCC[N+]2(C)CCOCC2)oc2ccccc12	552520	YRMRBGNHOCHNDP-UHFFFAOYSA-N	304.366	2.375	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	100178315	KQWIHAFWGICYBX-MBIARJLFSA-N	310.309	2.152	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccn1C	4805336	CYLFWHNOSNTHJM-UHFFFAOYSA-N	322.346	2.068	5	40	DEBB	
CCOC(=O)/C(CC)=C(/C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	19720397	KPECZIGQNTYJBH-QKXCFHHRSA-N	322.361	2.465	5	40	DEBB	
C[C@H]1C[C@H](C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	37530354	OBFZHJUTVODORB-IHRRRGAJSA-N	308.378	2.312	5	40	DEBB	
O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccnc(N3CCCCC3)c2)no1	78774526	UXEGOQGPFISVTL-VXGBXAGGSA-N	315.333	2.255	5	40	DEBB	
Cc1noc(C)c1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-]	32816871	CJWZQTPTDAXFBJ-UHFFFAOYSA-N	303.318	2.401	5	40	DEBB	
CC(=O)c1cccc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)c1	1423691	LURRMMAFELSBRK-SECBINFHSA-N	302.290	2.194	5	40	DEBB	
O=C(CCOc1ccccc1[N+](=O)[O-])NCCc1cccnc1	58304672	JWNSPQWSKCZFRG-UHFFFAOYSA-N	315.329	2.118	5	40	DEBB	
O=C(NCCc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])o1	69560009	KISTZZRVDMZSHX-UHFFFAOYSA-N	321.358	2.496	5	40	DEBB	
O=C(O)c1cccc2c(N3CCOCC3)ccc([N+](=O)[O-])c12	62719846	GSUFKCMLLOFGOJ-UHFFFAOYSA-N	302.286	2.283	5	40	DEBB	
CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nn(CC)c1=O	225965541	QSXCTGBQPRJLIL-UHFFFAOYSA-N	317.301	2.015	5	40	DEBB	
O=C(NCCO)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1	104547167	YEFUSNDAIJJKFC-UHFFFAOYSA-N	321.340	2.378	5	40	DEBB	
O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1NC1CCCC1	4923694	PDVXUXYHIZYDMW-UHFFFAOYSA-N	323.740	2.422	5	40	DEBB	
C[C@H]1CCCN([C@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1	106078667	MNYRYKZVTXVSJD-UONOGXRCSA-N	319.405	2.374	5	40	DEBB	
Cn1cnn(CN2CCSc3ccc([N+](=O)[O-])cc32)c1=S	57090356	MBEPTOYHPXCORH-UHFFFAOYSA-N	323.403	2.429	5	40	DEBB	
O=C(OCC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1	3314024	JVHVDXBZYHKEDW-UHFFFAOYSA-N	306.318	2.154	5	40	DEBB	
COC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1	12778542	JAIXSNZPYPSXKG-VFNNOXKTSA-N	318.329	2.162	5	40	DEBB	
CN(CC[C@@H]1CCCCN1C)C(=O)Cc1ccc([N+](=O)[O-])cc1	72297697	MFMYLNUMXVQCMT-HNNXBMFYSA-N	319.405	2.470	5	40	DEBB	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1	195695083	PBBVVCXTRBPIGO-AGIUHOORSA-N	308.382	2.368	5	40	DEBB	
Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](C)C2)cc1[N+](=O)[O-]	96455202	RIKBTTGYAYGOBM-VXGBXAGGSA-N	307.350	2.395	5	40	DEBB	
O=C(N[C@@H]1C[C@@H]1c1ccc(F)cc1F)c1cc([N+](=O)[O-])c[nH]1	585139839	JTBMFBQVBCKKOS-ZYHUDNBSSA-N	307.256	2.487	5	40	DEBB	
O=C(Nc1nnc([C@H]2CCCO2)o1)c1ccc([N+](=O)[O-])s1	10970555	XWHHLKDRNNFRPR-ZCFIWIBFSA-N	310.291	2.143	5	40	DEBB	
C[C@]1(O)CC(C(F)(F)F)=NN1C(=O)c1ccccc1[N+](=O)[O-]	324072	RLZISNSFPFXVNA-NSHDSACASA-N	317.223	2.068	5	40	DEBB	
Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)NC(C)(C)C	26121675	VVRCCADNTOGXEE-SNVBAGLBSA-N	308.334	2.363	5	40	DEBB	
Cc1ccc(OCC(=O)NCc2cccs2)c([N+](=O)[O-])n1	38150000	LPCNEBVUYISUMJ-UHFFFAOYSA-N	307.331	2.055	5	40	DEBB	
Cc1nn(CCC(=O)N(CC(F)F)C(C)C)c(C)c1[N+](=O)[O-]	84013884	CJKGUWLLVZUSNE-UHFFFAOYSA-N	318.324	2.300	5	40	DEBB	
CC[C@@](Cl)([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	96520689	SEESPORKPZPMFG-RYUDHWBXSA-N	321.782	2.408	5	40	DEBB	
O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c([nH]1)CCC2	4316918	VGLRNTKSFNUWDG-UHFFFAOYSA-N	303.343	2.459	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1N[C@H]1c1ccc([N+](=O)[O-])cc1	1686023	MDYONHHLJLMUBM-UONOGXRCSA-N	313.269	2.399	5	40	DEBB	
Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-]	24997487	ZSOPOGBZAONHAP-CYBMUJFWSA-N	314.345	2.444	5	40	DEBB	
Cc1cccc(NC(=O)CCNc2ncc([N+](=O)[O-])cc2C)n1	92623828	PPMLEFMKLYXQID-UHFFFAOYSA-N	315.333	2.442	5	40	DEBB	
Cc1cc2c(c(=O)n1C)[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)O2	524732630	FQWIZQHMFNVRHG-LBPRGKRZSA-N	314.297	2.043	5	40	DEBB	
CC(C)CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl	3514041	GMOYMWUSIZNOSY-UHFFFAOYSA-N	314.725	2.177	5	40	DEBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2	101615086	QKRPPPVEODGOAI-ASEORRQLSA-N	320.393	2.431	5	40	DEBB	
Cc1cccc(C(=O)NC[C@H](O)c2ccccc2)c1[N+](=O)[O-]	57158578	FZQDVIOVNPTOIE-AWEZNQCLSA-N	300.314	2.367	5	40	DEBB	
CCn1cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1	91054639	LXVMOKYOMOJFDU-UHFFFAOYSA-N	324.362	2.229	5	40	DEBB	
C[C@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1	195547080	NELWIEWNKRGBRE-SDDRHHMPSA-N	307.350	2.031	5	40	DEBB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[N+]1(C)CCOCC1	245231261	AFBPXWUCOGYWBU-TVFCKZIOSA-N	314.490	2.302	5	40	DEBB	
CSc1ccc(C(=O)OCc2nnc(C)o2)cc1[N+](=O)[O-]	5368172	QAFXMCQRRCQZNM-UHFFFAOYSA-N	309.303	2.365	5	40	DEBB	
CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O	4402386	XTHGQPJFOXVJCC-UHFFFAOYSA-N	315.241	2.272	5	40	DEBB	
Cc1nn(C)c(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1[N+](=O)[O-]	102596342	YDFMWYMVTGEARZ-PDEGPIFNSA-N	306.366	2.191	5	40	DEBB	
COc1ccc(OC)c(CNC(=O)c2ccc([N+](=O)[O-])o2)c1	65622933	LSCFVGGCHNEAJQ-UHFFFAOYSA-N	306.274	2.135	5	40	DEBB	
CCOc1cccc(NCCNC(=O)c2ccco2)c1[N+](=O)[O-]	96011498	HASIRKDEYULYBN-UHFFFAOYSA-N	319.317	2.428	5	40	DEBB	
CC(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1	89801993	CCHAEOCJEXDDQD-ZFWWWQNUSA-N	321.377	2.455	5	40	DEBB	
COc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])o2)c1	40500887	OYNPAFKBQSVEKL-UHFFFAOYSA-N	306.274	2.005	5	40	DEBB	
Cc1cc(S(=O)(=O)Nc2cccnc2)cc([N+](=O)[O-])c1C	7428380	CWJILEWGYMYGEB-UHFFFAOYSA-N	307.331	2.407	5	40	DEBB	
CCS(=O)(=O)Cc1cc(Br)sc1[N+](=O)[O-]	96532768	WQNNWXFDPVKLTA-UHFFFAOYSA-N	314.182	2.354	5	40	DEBB	
Cc1ccccc1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	4359575	YWJMERHDHWHXPI-UHFFFAOYSA-N	317.326	2.464	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1	3064436	ACAXUEJPCRJXRJ-UHFFFAOYSA-N	305.040	2.052	5	40	DEBB	
COC(=O)N1CCC(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1	58168687	FZMDIXPIYGBTKB-UHFFFAOYSA-N	321.333	2.440	5	40	DEBB	
COc1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C(=O)C2	5003748	XBENFHHPKUPYSW-UHFFFAOYSA-N	312.281	2.333	5	40	DEBB	
COc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	4739960	BUXCYYWPEGUWMS-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
O=[N+]([O-])c1ccc(CCS(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1	96002003	OBZCEXIDNUVHFX-ZIAGYGMSSA-N	324.402	2.199	5	40	DEBB	
CCCCn1nnnc1CNc1ncc([N+](=O)[O-])cc1Cl	95398951	AGCDEGHIGZCXCW-UHFFFAOYSA-N	311.733	2.042	5	40	DEBB	
CCC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1	43272276	DKUILYIYZWZAFU-CYBMUJFWSA-N	302.334	2.449	5	40	DEBB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	100065454	BRQWJRXWXQPCLC-QQXRRDQMSA-N	302.261	2.045	5	40	DEBB	
Cc1noc(C)c1COC(=O)COc1ccc([N+](=O)[O-])cc1	24719415	CXXJEWZMCVSDDQ-UHFFFAOYSA-N	306.274	2.322	5	40	DEBB	
Cc1cc(NC(=O)c2cnccn2)c2cc([N+](=O)[O-])ccc2n1	97142422	FJGTZZGAKIJHAV-UHFFFAOYSA-N	309.285	2.494	5	40	DEBB	
COC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1	12852722	AFKNRGGAJXBFNH-UHFFFAOYSA-N	321.314	2.399	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@H](O)COCc2ccccc2Cl)cn1	24761028	KADNLRWOXATGJS-NSHDSACASA-N	311.725	2.022	5	40	DEBB	
COc1cc(NC(=O)CNCCC(C)C)c(C)cc1[N+](=O)[O-]	8038492	VAVIEHGRJXDTFX-UHFFFAOYSA-N	309.366	2.486	5	40	DEBB	
C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1nc2ccccc2o1	75091873	LDHKIKWELIHZKE-QMMMGPOBSA-N	314.305	2.324	5	40	DEBB	
CC1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1	195562234	HIPALNHQXNSCCZ-UHFFFAOYSA-N	306.366	2.470	5	40	DEBB	
C[N+](C)(C)C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2	226072415	BWPQZLABYAOAQM-AWDGRILASA-N	312.474	2.056	5	40	DEBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC=CC[C@H]1C(=O)O	5769453	BXRUWSGGGSGTKS-OLZOCXBDSA-N	305.286	2.305	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccn1	6951688	YJEFHCVJEYYJIY-UHFFFAOYSA-N	302.290	2.320	5	40	DEBB	
Cc1cccc(C)c1OC[C@H](O)Cn1nc(C)c([N+](=O)[O-])c1C	71795525	FVKPDTVIRDAISP-CQSZACIVSA-N	319.361	2.465	5	40	DEBB	
CC[C@](C)(CO)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	95945503	IWMYPUQJRFIYQL-ZDUSSCGKSA-N	300.742	2.387	5	40	DEBB	
CCO/C(=C\c1cc([N+](=O)[O-])ccc1O)c1nnc(N)s1	408718409	MMCBDGPUWUIUPZ-POHAHGRESA-N	308.319	2.269	5	40	DEBB	
C[C@H](CCN1CCCC1=O)Nc1ncc([N+](=O)[O-])cc1Cl	96412886	XEDNRIWEFNPBBN-SECBINFHSA-N	312.757	2.456	5	40	DEBB	
CCOc1cccc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)n1	96009507	PAFSALNEIPWZBU-UHFFFAOYSA-N	309.709	2.252	5	40	DEBB	
Cc1nn(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1[N+](=O)[O-]	101157509	ONTOEUISULMAAH-HYNSBDGHSA-N	320.393	2.349	5	40	DEBB	
Cc1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1	97037062	PXNAZRPMFDZWDN-UHFFFAOYSA-N	321.358	2.283	5	40	DEBB	
COc1ccc(OCC(=O)NCc2cccs2)c([N+](=O)[O-])c1	7007354	FHEZGKWPSSHZST-UHFFFAOYSA-N	322.342	2.360	5	40	DEBB	
COc1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1	32779606	VRGWQDURNZJGNH-TVQRCGJNSA-N	309.322	2.292	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccccc1[N+](=O)[O-])C31CC1	100046892	YLYYKLJYPGBNNM-TXFQPVFDSA-N	310.309	2.296	5	40	DEBB	
COc1ccc2nn(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2c1	15084473	XVELQIZIBJQVFI-UHFFFAOYSA-N	315.245	2.246	5	40	DEBB	
Cc1ccc(NC(=O)COC(=O)c2ccccn2)cc1[N+](=O)[O-]	3507615	GRHIFXATAFSKSB-UHFFFAOYSA-N	315.285	2.094	5	40	DEBB	
COC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1	12784357	YZIXHUMWRXBREV-GFCCVEGCSA-N	306.318	2.071	5	40	DEBB	
Cn1cc(N2CCC[C@H](Nc3ccccc3[N+](=O)[O-])C2)cn1	78367948	YCHRTEWKPKPZBH-LBPRGKRZSA-N	301.350	2.409	5	40	DEBB	
CCn1c(Cn2cc([N+](=O)[O-])ccc2=O)nc2c(F)cccc21	69419621	BEGOIGZEOWVKDL-UHFFFAOYSA-N	316.292	2.314	5	40	DEBB	
Cc1cc(NCCN(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1	95352980	CEBCWRFLKPQGGL-UHFFFAOYSA-N	301.350	2.334	5	40	DEBB	
COc1ccc(NC(=S)NNc2ncccc2[N+](=O)[O-])cc1	408587275	SUJLIVZAGYJASN-UHFFFAOYSA-N	319.346	2.312	5	40	DEBB	
O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	16090148	TUCDKKABEJTXCG-UHFFFAOYSA-N	324.270	2.271	5	40	DEBB	
O=C(C1CCC1)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1	69703868	GKTJLQMPMKBWHJ-UHFFFAOYSA-N	321.352	2.178	5	40	DEBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1	9689949	NUKKBJVUTJQLEQ-CQSZACIVSA-N	322.267	2.336	5	40	DEBB	
Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(F)F	216902683	RZTWIZHRQIQLIT-UHFFFAOYSA-N	301.278	2.130	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]31	223980628	JPHFGKSBNFSTSP-JNWWKETESA-N	310.309	2.152	5	40	DEBB	
CCNC(=O)CNc1cc(C)c([N+](=O)[O-])cc1Br	225589124	FAGJRMNPCHCUOC-UHFFFAOYSA-N	316.155	2.214	5	40	DEBB	
COc1cccc(OCCNC(=O)c2ccccc2[N+](=O)[O-])c1	247907073	IPCMGUYSQQJKPG-UHFFFAOYSA-N	316.313	2.412	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nccs2)CC1	10269850	CCHSUVGTLWAFDP-UHFFFAOYSA-N	318.358	2.014	5	40	DEBB	
O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@@H]1CO	95443408	SATAAMWZYNMPAW-HIFRSBDPSA-N	306.362	2.195	5	40	DEBB	
Cc1nn(Cn2ccc(C(=O)OC(C)(C)C)n2)c(C)c1[N+](=O)[O-]	62701412	DGWGVPWEYBOPQH-UHFFFAOYSA-N	321.337	2.066	5	40	DEBB	
NC(=O)[C@@H]1CCCCC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-]	96489039	RDWCJJQVVIHWNG-NXEZZACHSA-N	312.757	2.489	5	40	DEBB	
Cc1csc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	96433508	YYFGWCMKCKLEBX-UHFFFAOYSA-N	313.360	2.185	5	40	DEBB	
O=C(O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1	13091787	LLTBGOAUJVVLEQ-UHFFFAOYSA-N	300.270	2.223	5	40	DEBB	
O=c1ccc([N+](=O)[O-])cn1Cc1nccn1Cc1ccccc1	31672680	ZVNKPPWOCUFZDA-UHFFFAOYSA-N	310.313	2.050	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)nn3)CC2)cc1	4126364	ZIIYCDGIUUJXPY-UHFFFAOYSA-N	319.752	2.365	5	40	DEBB	
COc1c(I)cc(C=O)cc1[N+](=O)[O-]	408853401	OKCMFEHZRSKRED-UHFFFAOYSA-N	307.043	2.021	5	40	DEBB	
CN1C[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	38214098	LPFQBRLLIVANGO-QBIMZIAESA-N	323.352	2.209	5	40	DEBB	
O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccco2)ccc1Cl	4713577	IDPWHJNXHARDIW-UHFFFAOYSA-N	316.722	2.320	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)nc1	18217918	VDZURXMGGOGVJN-UHFFFAOYSA-N	300.318	2.022	5	40	DEBB	
O=C(N[C@H]1CCSC1=O)c1ccc(Cl)cc1[N+](=O)[O-]	304017	YENJNDNICGYHFU-QMMMGPOBSA-N	300.723	2.010	5	40	DEBB	
C[C@]1(c2ccco2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	29740274	IERSWZFBNDSQCK-OAHLLOKOSA-N	315.285	2.155	5	40	DEBB	
Cc1nn(CC(=O)N2CC[C@@H]3CCCC[C@H]3C2)c(C)c1[N+](=O)[O-]	8132774	UHINTQXPCIXAJP-KBPBESRZSA-N	320.393	2.447	5	40	DEBB	
O=[N+]([O-])c1cccnc1N1CCN(c2ccc(O)cc2)CC1	24106543	SNHPPOWMLOYAEA-UHFFFAOYSA-N	300.318	2.022	5	40	DEBB	
Cc1cccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1	4359567	RABIHDHZTBYXTM-UHFFFAOYSA-N	317.326	2.464	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O	4794879	GSDBCHAEOYYDKA-PSJXJDHFSA-N	302.286	2.056	5	40	DEBB	
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Oc1ccccc1	3151780	XSMDSYCVIOYJOH-UHFFFAOYSA-N	303.230	2.394	5	40	DEBB	
O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nnnn1-c1ccccc1	55827905	HPVFNYCBJSESBA-UHFFFAOYSA-N	322.328	2.133	5	40	DEBB	
O=Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	2597405	CSJAODIVMYAFOI-UHFFFAOYSA-N	307.283	2.175	5	40	DEBB	
Cc1cc(N2CCC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-]	96429477	JGBNXFJUNKOBQZ-OAHLLOKOSA-N	319.405	2.452	5	40	DEBB	
O=C(O)/C=C/C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	17004295	RPJUYKRQGXGLEG-ONEGZZNKSA-N	304.180	2.193	5	40	DEBB	
O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	4904815	FEJDYDOXAGLJBF-BCWBERDBSA-N	320.276	2.195	5	40	DEBB	
O=C(Nc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1O	4178626	VVCWMHDROSPZPM-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H](c2ccsc2)O1	96011601	HCIMWOUJEQQWIW-JOYOIKCWSA-N	306.347	2.413	5	40	DEBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c[nH]nc23)cs1	97162595	UBNNMZMHQDGFIU-UHFFFAOYSA-N	324.343	2.333	5	40	DEBB	
Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2C)c(=O)[nH]1	62283177	KLFDYMZKJABWGT-UHFFFAOYSA-N	302.286	2.257	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccnc1	13283713	KMWXKWKHLCCORU-UHFFFAOYSA-N	302.290	2.320	5	40	DEBB	
O=c1c2ccccc2ncn1CCNc1ccc([N+](=O)[O-])cc1	12360128	IHYMUMBIMSORMY-UHFFFAOYSA-N	310.313	2.417	5	40	DEBB	
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC1CCCCC1	343319	QAZOUUYZBDZOCK-UHFFFAOYSA-N	300.746	2.202	5	40	DEBB	
O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1nncs1	1607598	FTCSEZMHUQMDHK-SNVBAGLBSA-N	308.344	2.225	5	40	DEBB	
Cn1c2ccccc2n2c(=O)c3c(=O)oc4ccccc4c3nc12	4413041	LAOJNRMIWDEHRV-UHFFFAOYSA-N	317.304	2.446	5	40	DEBB	
CC(C)(C)OC(=O)N1CCC[C@H](Cn2cc([N+](=O)[O-])cn2)C1	77931770	QNPRPZIEIDRDJW-NSHDSACASA-N	310.354	2.438	5	40	DEBB	
CC(C)(C)OC(=O)N[C@@H](CCC[N+](=O)[O-])C(=O)OC(C)(C)C	35812133	GTZPWXOLLLSOOT-JTQLQIEISA-N	318.370	2.278	5	40	DEBB	
O=C(NCCNCc1ccccc1[N+](=O)[O-])C1CCCCC1	78394176	LNFHFBYEHPVQBQ-UHFFFAOYSA-N	305.378	2.381	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)c1	102970037	RISXEBLJZJBHLM-SRVKXCTJSA-N	310.375	2.309	5	40	DEBB	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O	3369643	CMLLWDDIURSVEJ-SNVBAGLBSA-N	300.698	2.087	5	40	DEBB	in-vitro
CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)no1	33653059	KXDHWBPSYNPKGM-UHFFFAOYSA-N	310.697	2.124	5	40	DEBB	
COC(=O)c1cc(F)ccc1COc1cccnc1[N+](=O)[O-]	78412248	YLUXFWNOTMXWCY-UHFFFAOYSA-N	306.249	2.495	5	40	DEBB	
CC(C)C1(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1	96501134	CRRCGWBOAFGEIV-UHFFFAOYSA-N	313.379	2.090	5	40	DEBB	
C[C@H](C(=O)O)N1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O	2272886	PWLOWAYWELMUIJ-LWYMYGMPSA-N	322.298	2.104	5	40	DEBB	
Cn1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cn1	24585365	CGTILRUKZGAEAJ-UHFFFAOYSA-N	303.322	2.159	5	40	DEBB	
Cc1c(COc2ccc(-n3cnnn3)cc2)cccc1[N+](=O)[O-]	47349922	FMNBFSRMOUQTLG-UHFFFAOYSA-N	311.301	2.458	5	40	DEBB	
Cc1cc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)no1	96476335	IQUJGOYTZPIMBX-UHFFFAOYSA-N	311.319	2.309	5	40	DEBB	
CC(C)(C)OC(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1	95081637	ZQHMOILMMZHJGZ-UHFFFAOYSA-N	308.338	2.047	5	40	DEBB	
O=C([C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)N1CCCC1	4746224	GQBUOBMECVJKKK-OAHLLOKOSA-N	317.389	2.429	5	40	DEBB	
O=C(O)c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c1Br	217677121	CTGYTBUWVINNPU-UHFFFAOYSA-N	312.079	2.446	5	40	DEBB	
Cc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)no1	96450913	ZOCBHXKOECHJEA-UHFFFAOYSA-N	311.319	2.309	5	40	DEBB	
O=C(NCc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	1893892	AMFBHWVWVXONAJ-UHFFFAOYSA-N	301.258	2.433	5	40	DEBB	
C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1nn(C)cc1[N+](=O)[O-]	2753823	NNCHQBAHWQYUFQ-SECBINFHSA-N	318.308	2.449	5	40	DEBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1	102596356	WEGIZRZHRSLDFI-FIQHERPVSA-N	306.366	2.366	5	40	DEBB	
O=C(c1ccoc1)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1	24206802	HBRSNVHRNSYHGR-UHFFFAOYSA-N	316.317	2.300	5	40	DEBB	
CC(=O)NCCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	63942395	FTBLHANMBUILCR-UHFFFAOYSA-N	322.342	2.493	5	40	DEBB	
CCc1cc(N(C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)n1	64904417	BGVBNKAGJJKRCD-UHFFFAOYSA-N	302.334	2.043	5	40	DEBB	
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	71857395	FVQFTBATOCROEI-KOLCDFICSA-N	312.297	2.257	5	40	DEBB	
CC[C@]1(C)CN(C(=O)NCc2ccccc2[N+](=O)[O-])CCO1	195574701	KUNRUIMZSDYCNK-OAHLLOKOSA-N	307.350	2.305	5	40	DEBB	
O=[N+]([O-])c1cccc([C@@H]2SC=C3Sc4nncn4N32)c1	12407329	WAJBOQFZPYYCTN-JTQLQIEISA-N	305.344	2.475	5	40	DEBB	
C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1	72285578	KIEGMUZZCLPWFL-NSHDSACASA-N	306.366	2.447	5	40	DEBB	
C[C@@H]1CCCN(c2nc(N3CCCCC3)nc(N)c2[N+](=O)[O-])C1	5156464	ZGSNKSOHCGOCKI-LLVKDONJSA-N	320.397	2.194	5	40	DEBB	
COc1ccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1	6587351	OGTWXXHQGKRWEG-UHFFFAOYSA-N	301.302	2.314	5	40	DEBB	
CC(=O)Nc1cc(I)cc([N+](=O)[O-])c1	1569612	USQKACPQSKDBMW-UHFFFAOYSA-N	306.059	2.158	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-]	102596302	STBDLLKQQLGKQE-BQUFFADESA-N	306.366	2.041	5	40	DEBB	
O=C(NC(=S)Nc1ccc(O)cc1)c1coc([N+](=O)[O-])c1	4543021	CQCPQMQDNUKNDJ-UHFFFAOYSA-N	307.287	2.020	5	40	DEBB	
CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	70197253	COCHHCCAKACEKU-JTQLQIEISA-N	311.769	2.462	5	40	DEBB	
C[C@H](NC(=O)CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@H]2CC[C@H]1C2	102596326	OORRNYREZRRNPB-ZDEQEGDKSA-N	306.366	2.122	5	40	DEBB	
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCCc2ccccc21	69530957	VAKCHCFQAKTYDN-CQSZACIVSA-N	314.345	2.375	5	40	DEBB	
CCOCc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1	95416811	GIMLMAIPDKQBFD-UHFFFAOYSA-N	315.329	2.456	5	40	DEBB	
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1	3844755	OUHLBDKFJRTWKD-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	biogenic
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1C	6639640	AWZKDCNWIIUGSG-WCABBAIRSA-N	322.317	2.130	5	40	DEBB	
O=C(OCCN1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1314498	FDUSFVWXBBJJQW-UHFFFAOYSA-N	323.305	2.146	5	40	DEBB	
O=C1OCC[C@@H]1Sc1nnc(-c2cccc([N+](=O)[O-])c2)o1	4740804	KSJIHJRYKYBCKD-VIFPVBQESA-N	307.287	2.052	5	40	DEBB	
O=[N+]([O-])c1nc[nH]c1NCCNc1nc2ccccc2s1	4818078	SLIAMJIXEFIMOQ-UHFFFAOYSA-N	304.335	2.452	5	40	DEBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCS(=O)CC1	69587033	DWGBCNQYHBAITQ-UHFFFAOYSA-N	308.281	2.182	5	40	DEBB	
COC(=O)c1cc(O)cc2oc3cc(C)cc(O)c3c(=O)c12	13335396	MJOGVUMPZLEYIH-UHFFFAOYSA-N	300.266	2.452	5	40	DEBB	biogenic,in-vitro
Cn1cnnc1-c1cncc(NCc2csc([N+](=O)[O-])c2)c1	96490270	PCJACIDGXYJVAR-UHFFFAOYSA-N	316.346	2.459	5	40	DEBB	
CN(C)C(=O)[C@H]1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1	96453300	IVCVYFRTDZXLOE-CQSZACIVSA-N	314.345	2.200	5	40	DEBB	
COc1cc(C(=O)N[C@H]2CC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1C	195579915	NABSZIMXRUKSLC-QWHCGFSZSA-N	321.377	2.124	5	40	DEBB	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	106566567	LRZRPHCGXWLJKS-FXPVBKGRSA-N	305.359	2.481	5	40	DEBB	
NC(=O)COc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1	5348192	KGXLQGNBHYCYJD-UHFFFAOYSA-N	319.700	2.169	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)s1	67877176	BEMGEIAKTYVJIN-GHMZBOCLSA-N	324.383	2.491	5	40	DEBB	
C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2	100387202	PIPAJLPNWZMYQA-YYIAUSFCSA-N	304.410	2.076	5	40	DEBB	biogenic,in-man
CCn1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1	373002	YYGHYWJQDLEQOQ-UHFFFAOYSA-N	308.725	2.395	5	40	DEBB	
COc1ncccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-]	32816885	FZOFLSYQLQUWMP-UHFFFAOYSA-N	301.302	2.271	5	40	DEBB	
O=C(N[C@H]1CCCNC1=O)c1cc2ccccc2c2cccnc12	64099009	ZAISOUBJXPFXFP-INIZCTEOSA-N	319.364	2.396	5	40	DEBB	
CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2ccc[nH]2)s1	96008555	RIFINZRLZDZWMT-UHFFFAOYSA-N	315.376	2.043	5	40	DEBB	
CN(CC1CCC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	96001963	PGSZBIDOWZRHMD-UHFFFAOYSA-N	312.391	2.199	5	40	DEBB	
Cc1nc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cs1	85468163	AQJLPQGDFXXZMJ-UHFFFAOYSA-N	319.390	2.077	5	40	DEBB	
CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)C(OC)OC	585141772	XXHLWTMPFDUBKT-JTQLQIEISA-N	311.338	2.422	5	40	DEBB	
O=C(COC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	5128766	ODPDOUJYKJHJLW-UHFFFAOYSA-N	300.270	2.390	5	40	DEBB	
CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C	3106610	IALRZHYLVAIFFH-CYBMUJFWSA-N	319.317	2.128	5	40	DEBB	
C[C@H]1CCCN([C@@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1	46952223	MNYRYKZVTXVSJD-KBPBESRZSA-N	319.405	2.374	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1)C31CC1	100411467	AZAGKUWCVIURNI-ZQDZILKHSA-N	324.336	2.292	5	40	DEBB	
CCOCCc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1	4740482	MKJPCTMDABUAME-UHFFFAOYSA-N	322.346	2.278	5	40	DEBB	
CN(CCc1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	3151076	PMKSYQGOQMRSQV-UHFFFAOYSA-N	320.370	2.458	5	40	DEBB	
O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	4155862	XXEUORHXHOMNOK-DTVLGXAZSA-N	302.286	2.056	5	40	DEBB	
Cc1nn(C)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1[N+](=O)[O-]	371941	MNFJEDBOULNRAK-UHFFFAOYSA-N	318.377	2.191	5	40	DEBB	
CCc1nc(C)cn1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	16780340	HGPPQRSBNKWWAW-UHFFFAOYSA-N	309.347	2.208	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([C@@H](C)O)C1	97380043	YRWFNNHIGIUSIA-NEPJUHHUSA-N	307.350	2.446	5	40	DEBB	
Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)O)cc(C)c1[N+](=O)[O-]	329747	WWJXWLZSRMJTTR-GFCCVEGCSA-N	308.334	2.441	5	40	DEBB	
CCOC(=O)Cn1nc([N+](=O)[O-])nc1Sc1ccc(C)cc1	4704605	HQFAXRQCDOZOFU-UHFFFAOYSA-N	322.346	2.209	5	40	DEBB	
Cc1cc(NC(=O)NCCCc2cnn(C)c2)ccc1[N+](=O)[O-]	97163027	NYJHRSVVVOYPCE-UHFFFAOYSA-N	317.349	2.391	5	40	DEBB	
O=C(Cc1ccon1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	95427760	CABHRAFXKJBWNG-UHFFFAOYSA-N	301.302	2.317	5	40	DEBB	
O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCCO1	57683853	VHMMDQRBQKUACZ-GFCCVEGCSA-N	302.290	2.102	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnc(Cl)c2)cc1	16429295	NPOYASVAMUJFJH-UHFFFAOYSA-N	313.722	2.444	5	40	DEBB	
COCCN(C(C)=O)c1nnc(-c2cccc([N+](=O)[O-])c2)s1	4985190	JFVSGBLNRKDLIZ-UHFFFAOYSA-N	322.346	2.113	5	40	DEBB	
CC(=O)N1CCCC[C@H]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1	69616821	HGKCVSSOWYLUFX-HNNXBMFYSA-N	319.361	2.349	5	40	DEBB	
CCOCCN(Cc1ccccc1[N+](=O)[O-])C[C@H](C)C(=O)OC	65542319	HEDSTZVXARKJMN-ZDUSSCGKSA-N	324.377	2.242	5	40	DEBB	
C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C	4965034	QETSVXHUMUSHDS-GMTAPVOTSA-N	324.333	2.286	5	40	DEBB	
Cc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)no1	32901894	AXSWTURAFZBUBQ-UHFFFAOYSA-N	316.317	2.486	5	40	DEBB	
CC(=O)[C@H]1Cn2c(=O)c3cc4ccccc4cc3c(=O)n2C=C1C	5757785	RKPVVYHSPTWPQF-KRWDZBQOSA-N	320.348	2.396	5	40	DEBB	
O=[N+]([O-])c1ccccc1CSc1nnnn1C[C@@H]1CCCO1	30346574	TUJPWUKESYADSX-NSHDSACASA-N	321.362	2.053	5	40	DEBB	
OCCCNC(=S)Nc1ccc2nc3ccccc3nc2c1	6045883	GQXJURLLEGJDBX-UHFFFAOYSA-N	312.398	2.452	5	40	DEBB	
C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1	3506505	PECHDBDQGSUKHP-RISCZKNCSA-N	320.345	2.447	5	40	DEBB	
Cc1ccc(NC(=O)CSc2nc(C)n[nH]2)c([N+](=O)[O-])c1	4718046	BOKAZKRDRFXHOP-UHFFFAOYSA-N	307.335	2.061	5	40	DEBB	
Cc1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])n1	9127630	OXMLUHIPVULNRE-VXGBXAGGSA-N	307.350	2.467	5	40	DEBB	
CNC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])s1	4275806	NTIMATWRJHJNTK-UHFFFAOYSA-N	311.344	2.330	5	40	DEBB	
CC(C)(C)OC(=O)N1CCC[C@@H](Cn2cc([N+](=O)[O-])cn2)C1	77931773	QNPRPZIEIDRDJW-LLVKDONJSA-N	310.354	2.438	5	40	DEBB	
O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])c(O)c1	35362634	AHRJWRKGIXQBJW-UHFFFAOYSA-N	316.269	2.324	5	40	DEBB	
CCOCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1	69770298	VFGKEPYKSZPSCI-UHFFFAOYSA-N	322.361	2.492	5	40	DEBB	
CC(C)CNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1	5178052	MJVSXNIHHRSRGY-SNVBAGLBSA-N	308.386	2.271	5	40	DEBB	
O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1nccs1	65614230	JXFWACYDNWRGIE-UHFFFAOYSA-N	316.342	2.322	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C=C(C)C	4870761	IVKVEKOGGVIFQI-UHFFFAOYSA-N	308.290	2.051	5	40	DEBB	
C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)O1	15254555	YLDLZTCGNCUSOC-QWRGUYRKSA-N	308.334	2.071	5	40	DEBB	
NS(=O)(=O)c1cccc(N2CCCCCCC2)c1[N+](=O)[O-]	95939845	RGJVNEJLSLCDDM-UHFFFAOYSA-N	313.379	2.013	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1[N+](=O)[O-]	100562705	ONTOEUISULMAAH-KQURDKLPSA-N	320.393	2.349	5	40	DEBB	
O=[N+]([O-])c1cnc(N[C@@H]2CCCOC2)c(Br)c1	81941539	VWZADQSLKLQXFB-SSDOTTSWSA-N	302.128	2.343	5	40	DEBB	
CCn1c(C)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1	20033730	FGIACNGKVSUXST-UHFFFAOYSA-N	306.347	2.490	5	40	DEBB	
C[C@@H](NC(=O)COc1cccnc1[N+](=O)[O-])c1ccc(F)cc1	12635906	WXBHPXGNUVGZHP-SNVBAGLBSA-N	319.292	2.385	5	40	DEBB	
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1	3896028	IUOJESYJQSYMBE-UHFFFAOYSA-N	302.246	2.459	5	40	DEBB	
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCC1	17356281	XPCYPIBYUSPIBS-UHFFFAOYSA-N	303.362	2.434	5	40	DEBB	
COc1ccc(Cn2c(CO)nc3ccccc32)cc1[N+](=O)[O-]	60816919	JRXSUOXNVGJPFA-UHFFFAOYSA-N	313.313	2.494	5	40	DEBB	
C[C@@H](Nc1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1	32743563	FPEBOMCGCWUFEI-SNVBAGLBSA-N	321.358	2.415	5	40	DEBB	
CC(C)[C@H](CCO)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-]	76061358	PUDJHAXYGFDUDO-ZDUSSCGKSA-N	321.377	2.306	5	40	DEBB	
O=C(O)c1c(C(=O)N2CCc3ccccc32)cccc1[N+](=O)[O-]	3098582	HENQTGFJMJKQLK-UHFFFAOYSA-N	312.281	2.496	5	40	DEBB	
CCN(CC(=O)NC1CCCC1)Cc1cccc([N+](=O)[O-])c1	69560536	FILYLSCEDDSCEB-UHFFFAOYSA-N	305.378	2.476	5	40	DEBB	
Cc1c([C@@H](C)NCCc2nnc3n2CCC3)cccc1[N+](=O)[O-]	95419911	PCWYWCLMYDHVSP-GFCCVEGCSA-N	315.377	2.334	5	40	DEBB	
O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@H]1CO	95443410	SATAAMWZYNMPAW-ZFWWWQNUSA-N	306.362	2.195	5	40	DEBB	
N=c1sccn1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	6321160	XFROXRYBABBRTL-UHFFFAOYSA-N	312.738	2.229	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC1CCCCCC1	5505860	ZLHQCQBQPZOFHE-UHFFFAOYSA-N	310.306	2.184	5	40	DEBB	
CC1=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@@H]2C1	18244573	BMSHSEAZTNOHBB-GHMZBOCLSA-N	302.286	2.146	5	40	DEBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccncc1	25323363	XMVWCISYUCELFU-UHFFFAOYSA-N	316.317	2.300	5	40	DEBB	
CCc1nnc(COC(=O)CCNc2ccccc2[N+](=O)[O-])o1	32893506	MVEUMZCJZKSJIY-UHFFFAOYSA-N	320.305	2.086	5	40	DEBB	
O=C(O)c1nn2c(C(F)F)cc(C(F)F)nc2c1[N+](=O)[O-]	12395590	VBPWHOOONFFZEJ-UHFFFAOYSA-N	308.147	2.211	5	40	DEBB	
Cn1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)ccc1=O	97047026	FOZVPILVTIIFPX-UHFFFAOYSA-N	322.704	2.304	5	40	DEBB	
CC(=O)c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1	26705033	YLPKHCWYNXJAHA-UHFFFAOYSA-N	306.318	2.141	5	40	DEBB	
Nc1nc(N2CCCCC2)nc(NCc2ccco2)c1[N+](=O)[O-]	5052155	PHYNBSPLOBPRIH-UHFFFAOYSA-N	318.337	2.162	5	40	DEBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C)C2)n1	5184606	HFQFLORRKFLQSW-GHMZBOCLSA-N	322.413	2.296	5	40	DEBB	
CCCn1nc(C(=O)Oc2cc(C)ccc2[N+](=O)[O-])ccc1=O	24597517	NCQAEZUSSLVOFM-UHFFFAOYSA-N	317.301	2.089	5	40	DEBB	
O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccccc1	303091770	FOVWZRMOTWJMIA-CQSZACIVSA-N	315.329	2.128	5	40	DEBB	
O=C([C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)N1CCCC1	71898304	JEECIMFBHCKHHM-ZDUSSCGKSA-N	323.418	2.491	5	40	DEBB	
Cc1cc(=O)n(CC(=O)N[C@H](C)c2cccs2)cc1[N+](=O)[O-]	89568481	SUNSWBULCHIPTB-SNVBAGLBSA-N	321.358	2.004	5	40	DEBB	
NC(=O)c1cn(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc12	216959523	YWPRPOIQIBTWDV-UHFFFAOYSA-N	309.281	2.337	5	40	DEBB	
O=C(O)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	13439959	YIEFYIWAVJOWOZ-UHFFFAOYSA-N	314.297	2.403	5	40	DEBB	
Cc1nn(CCCC(=O)NCc2ccco2)c(C)c1[N+](=O)[O-]	215120	KEAVLOQMJZNRRW-UHFFFAOYSA-N	306.322	2.098	5	40	DEBB	
NN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1	19170816	KUAVACFDRDXFEH-UHFFFAOYSA-N	302.290	2.379	5	40	DEBB	
O=C(O)c1ccn(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	12395468	QGUIUDWWCLHMAE-UHFFFAOYSA-N	301.180	2.498	5	40	DEBB	
COC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	35100030	PVTPRFFRFQIQQH-JTQLQIEISA-N	312.709	2.026	5	40	DEBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1	5164395	XDIBBLUEFFXXFU-SNVBAGLBSA-N	308.386	2.050	5	40	DEBB	
O=Cc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	95470234	KZTMVBGAMANSIO-UHFFFAOYSA-N	307.283	2.175	5	40	DEBB	
Cc1cnc(N(C)Cc2cccc(C(N)=O)c2)c([N+](=O)[O-])c1	78653663	BWDKNEXIIUGNMU-UHFFFAOYSA-N	300.318	2.034	5	40	DEBB	
COc1ccc([C@H](C[N+](=O)[O-])n2nc(C)cc2C)cc1OC	75166	PNYHOXUVMIIMRU-ZDUSSCGKSA-N	305.334	2.383	5	40	DEBB	
COCCn1c(C)cc(C(=O)Cn2c([N+](=O)[O-])cnc2C)c1C	9421292	PRERMEOXDPDTRP-UHFFFAOYSA-N	320.349	2.047	5	40	DEBB	
COC(=O)COc1cc(O)c2c(=O)c3ccccc3oc2c1	8486212	ORWIPODJYWLODD-UHFFFAOYSA-N	300.266	2.204	5	40	DEBB	biogenic
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	100178288	JPHFGKSBNFSTSP-OJVARPOJSA-N	310.309	2.152	5	40	DEBB	
CCc1nccn1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	10372144	SJBHLNXLIZJLNN-UHFFFAOYSA-N	316.361	2.482	5	40	DEBB	
C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@H](c2ccsc2)O1	108391769	HCIMWOUJEQQWIW-SKDRFNHKSA-N	306.347	2.413	5	40	DEBB	
Cc1[nH]c2ccccc2c1C(=O)Cn1cccc([N+](=O)[O-])c1=O	58341387	JXZDGUNGMKAKDF-UHFFFAOYSA-N	311.297	2.429	5	40	DEBB	
Cc1cc(N2CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)n1	58407624	GXTQPFVSIDTKGD-UHFFFAOYSA-N	300.318	2.197	5	40	DEBB	
O=C1[C@H](Nc2ccc([N+](=O)[O-])cn2)CCN1c1ccccc1F	71900459	IBDIBCWZJPGNHJ-GFCCVEGCSA-N	316.292	2.346	5	40	DEBB	
O=C(COc1cccc([N+](=O)[O-])c1)N1CCOC12CCCCC2	35671152	XAWISJIJYWCARU-UHFFFAOYSA-N	320.345	2.493	5	40	DEBB	
CCc1ocnc1C(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1	96418163	IRIVYAGMBXPKSE-UHFFFAOYSA-N	319.317	2.438	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@H](O)c2ccccc2Br)cn1	95433513	ULOQGPWYCJLGDS-JTQLQIEISA-N	312.123	2.287	5	40	DEBB	
O=[N+]([O-])c1cccc(OC2=NS(=O)(=O)c3ccccc32)c1	314729	JARFEWSAQAJUNZ-UHFFFAOYSA-N	304.283	2.123	5	40	DEBB	
O=C(NCCCNc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1	71894510	IRZPRSLZAFQZTK-UHFFFAOYSA-N	318.308	2.361	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)c(C)nn1C	71883919	LVKFOYMWRMGNDS-UHFFFAOYSA-N	324.362	2.054	5	40	DEBB	
CC(=O)c1ccc(N2CCC[C@@H]2Cn2cncn2)c([N+](=O)[O-])c1	95351526	RNZOSWAQTJTXMJ-CYBMUJFWSA-N	315.333	2.058	5	40	DEBB	
C[C@@H]1CCCC[C@H]1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	95481808	BMJXEDUTWJFNRT-BXKDBHETSA-N	323.374	2.212	5	40	DEBB	
O=C(OCC(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	3234205	QXQGFQWXKSOECS-UHFFFAOYSA-N	312.709	2.027	5	40	DEBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O	4904816	FEJDYDOXAGLJBF-HTEOGMQZSA-N	320.276	2.195	5	40	DEBB	
O=C1[C@@H](n2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1	97048001	HRUADRIXNQLBOQ-AWEZNQCLSA-N	300.318	2.155	5	40	DEBB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(N)cc2[N+](=O)[O-])cc1	4878336	SADKHSORWAKDKY-UHFFFAOYSA-N	321.358	2.311	5	40	DEBB	
COc1cc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)c(C)cc1[N+](=O)[O-]	4863575	MBRFPNBXBTUSRI-WCBMZHEXSA-N	322.317	2.050	5	40	DEBB	
CN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)Cc2ccccc21	68864275	LRBGUDHLJHIJMI-UHFFFAOYSA-N	301.302	2.280	5	40	DEBB	
CC(C)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	71908049	NJJAMILQXIQEGB-ZDUSSCGKSA-N	321.377	2.041	5	40	DEBB	
O=C(Cc1ccccc1O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12	89888262	JHSMMAPQJYIWLQ-UHFFFAOYSA-N	312.285	2.358	5	40	DEBB	
CC(C)c1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)on1	97109065	VQFQUPJZDSJHPJ-UHFFFAOYSA-N	305.290	2.342	5	40	DEBB	
O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2	409380054	GLNVQHPUANELSA-MWODSPESSA-N	304.302	2.211	5	40	DEBB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c([N+](=O)[O-])c1	169685373	BXVIFRVMCZKCFS-HKBMDRHJSA-N	324.336	2.461	5	40	DEBB	
CN(Cc1nc[nH]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	76091891	YSLZPDYZYSXVAI-UHFFFAOYSA-N	310.701	2.030	5	40	DEBB	
C[N+](C)(C)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCC1	1717763	ORQOLTMIVNWOPH-INIZCTEOSA-N	306.426	2.325	5	40	DEBB	
CC1=C([N+](=O)[O-])[C@@H](c2ccccc2OC(F)F)NC(=O)N1C	4428083	XTWWXSRXLDVMIT-SNVBAGLBSA-N	313.260	2.492	5	40	DEBB	
COc1cccc(NC(=O)[C@@H](C)Cn2nc([N+](=O)[O-])cc2C)c1	2796275	NAWKRFIXIGUWAW-JTQLQIEISA-N	318.333	2.383	5	40	DEBB	
Cn1ncc(CNc2nc3ccc([N+](=O)[O-])cc3s2)c1N	91623414	IUIHJHLNJMKGFS-UHFFFAOYSA-N	304.335	2.132	5	40	DEBB	
O=C(CSc1ncccc1[N+](=O)[O-])Nc1ccc(O)cc1	84358230	XUWQFTQVMANVDS-UHFFFAOYSA-N	305.315	2.426	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2c(=O)[nH]1	28210334	SVBFIOAMMKWHGR-UHFFFAOYSA-N	310.269	2.084	5	40	DEBB	
Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN(c2cnn(C)c2)C1	98013787	MBFLOBREGUHXBI-LBPRGKRZSA-N	316.365	2.113	5	40	DEBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1	5143832	ADEMIGVWTKHVIU-UHFFFAOYSA-N	308.386	2.050	5	40	DEBB	
CC[C@H](NC(=O)c1ccc(C)[nH]c1=O)c1cccc([N+](=O)[O-])c1	79018677	JXWWRRQBWHQSSD-AWEZNQCLSA-N	315.329	2.473	5	40	DEBB	
CC(C)CNc1nc(N)c([N+](=O)[O-])c(N2CCCCCC2)n1	5490130	BZBUTBMVPFKRTP-UHFFFAOYSA-N	308.386	2.415	5	40	DEBB	
CC(C)(C)OC(=O)N1CCN(c2cnccc2[N+](=O)[O-])CC1	95081656	ZPRVQWWYUSAOFC-UHFFFAOYSA-N	308.338	2.047	5	40	DEBB	
O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1nncs1	1607599	NNPMQSNKFWFKDV-SNVBAGLBSA-N	308.344	2.225	5	40	DEBB	
Cc1ncc([N+](=O)[O-])n1Cc1nc(CCc2ccccc2)no1	96436624	XXBLRTCUHVVODZ-UHFFFAOYSA-N	313.317	2.316	5	40	DEBB	
CC[N+]1(C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CCOCC1	13307047	LDHSDHWSXOQHLI-IXDOHACOSA-N	314.490	2.446	5	40	DEBB	
COc1cc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])cc1F	101626115	VDBUDPJDPGVPIO-LLVKDONJSA-N	307.325	2.193	5	40	DEBB	
O=C(NCC(F)(F)F)[C@@H]1CCCN1c1ccccc1[N+](=O)[O-]	71904106	HAQNNIFWQUSTCG-NSHDSACASA-N	317.267	2.242	5	40	DEBB	
C[C@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccsc1	80891751	URSWBBDHFZZWSQ-HNNXBMFYSA-N	320.370	2.223	5	40	DEBB	
COc1ccccc1CC(=O)NCc1ccc([N+](=O)[O-])cc1	55796960	XUQFOSMIEGXHAR-UHFFFAOYSA-N	300.314	2.462	5	40	DEBB	
O=C(Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1)NCCO	69618967	IFKZTKSWXJQMKD-UHFFFAOYSA-N	316.313	2.038	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(-n2cccn2)cn1	79110690	QJMYZJRWIXANNR-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCC(F)(F)F	6062144	JRZHZSXXMINRRN-UHFFFAOYSA-N	312.631	2.306	5	40	DEBB	
CCOC(=O)CNc1cc(Br)ccc1[N+](=O)[O-]	87834189	BBPSMJULQULWNW-UHFFFAOYSA-N	303.112	2.332	5	40	DEBB	
O=C(O)[C@H]1CC=CC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1	5750508	BXRUWSGGGSGTKS-QWHCGFSZSA-N	305.286	2.305	5	40	DEBB	
COCCc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1	5248433	BRAYXKCMFINSQE-UHFFFAOYSA-N	323.334	2.279	5	40	DEBB	
COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc([N+](=O)[O-])c1	12791092	TXHIGJIUJXVDIY-UHFFFAOYSA-N	324.724	2.400	5	40	DEBB	
COc1cc(N[C@H](C)c2nnc3n2CCC3)ccc1[N+](=O)[O-]	97115246	NADCNWOMCQLCNF-SECBINFHSA-N	303.322	2.314	5	40	DEBB	
CC(C)(NS(=O)(=O)c1cccnc1)c1ccc([N+](=O)[O-])cc1	75106281	USVVYWFRFCSODE-UHFFFAOYSA-N	321.358	2.203	5	40	DEBB	
CCN1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)C1	46955893	RIECFBYSPWOSRW-GFCCVEGCSA-N	306.366	2.367	5	40	DEBB	
COC(=O)c1cc(C)nc(NCCc2nccs2)c1[N+](=O)[O-]	252485153	GOEOEXQPKVRALV-UHFFFAOYSA-N	322.346	2.196	5	40	DEBB	
O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nc3ccccc3n12	12339569	XBMKPBKZDSJTCY-NTEUORMPSA-N	323.333	2.365	5	40	DEBB	
CC(=O)N1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1	63527634	IWVIAQLHDJJNHR-KRWDZBQOSA-N	317.389	2.429	5	40	DEBB	
Cc1cnc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1	9114432	YZZXEMZMBLQOFY-UHFFFAOYSA-N	321.314	2.383	5	40	DEBB	
Cc1nc(CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)sc1C	97112844	GCTHCHYCPHPKRX-UHFFFAOYSA-N	307.331	2.304	5	40	DEBB	
CC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br	8555181	FKWPYONBJYBTHJ-UHFFFAOYSA-N	318.152	2.190	5	40	DEBB	
CNC(=O)c1ccc(N[C@H](C)C(C)(C)CN(C)C)c([N+](=O)[O-])c1	72296160	QPNZBAXPITVGSH-LLVKDONJSA-N	322.409	2.343	5	40	DEBB	
Cc1nn(C)c(N2CCO[C@H](c3ccccc3)C2)c1[N+](=O)[O-]	58344299	CXYGESQSYUJDET-ZDUSSCGKSA-N	302.334	2.215	5	40	DEBB	
Cc1cccc(OC[C@@H](O)CNc2ncccc2[N+](=O)[O-])c1	58434984	XQTZCSVLCIRTDZ-LBPRGKRZSA-N	303.318	2.150	5	40	DEBB	
O=C(O[C@@H]1CCOC1)c1ccc(Br)cc1[N+](=O)[O-]	80392072	AOMAXKPYTKGANT-MRVPVSSYSA-N	316.107	2.303	5	40	DEBB	
CC(C)(NC(=O)NCc1cc[nH]n1)c1ccc([N+](=O)[O-])cc1	95409034	GGMXPNLDDUOHKC-UHFFFAOYSA-N	303.322	2.052	5	40	DEBB	
O=[N+]([O-])c1c(N[C@@H]2c3ccccc3C[C@@H]2O)nc2sccn12	53602060	XVRRSMSUFNKMJV-WDEREUQCSA-N	316.342	2.374	5	40	DEBB	
O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	100860213	GSDBCHAEOYYDKA-RQSQLSILSA-N	302.286	2.056	5	40	DEBB	
Nc1nc(SCc2ccccc2[N+](=O)[O-])c2nc[nH]c2n1	1670873	ZOPQOYFSTHMWDX-UHFFFAOYSA-N	302.319	2.136	5	40	DEBB	in-vitro
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)O)c1	8051529	NWOROVRMBGJEBX-UHFFFAOYSA-N	300.270	2.474	5	40	DEBB	
Cc1ccc(NC(=O)CSc2nnc(C)o2)c([N+](=O)[O-])c1	20034056	GTGOCXPXRRCTMA-UHFFFAOYSA-N	308.319	2.325	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NCc1ccccc1	5020838	VIEYFPWEDRGBIV-UHFFFAOYSA-N	320.326	2.130	5	40	DEBB	
Cc1cnc(OCc2nc3ccsc3c(=O)[nH]2)c([N+](=O)[O-])c1	95981518	XNZWSQCQILIJDV-UHFFFAOYSA-N	318.314	2.175	5	40	DEBB	
NC(=S)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1	3850868	UTIFNYMFZRULGY-UHFFFAOYSA-N	301.327	2.481	5	40	DEBB	biogenic
O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)c1ccccc1F	96445800	HIQUGMSXLBXXPT-OAHLLOKOSA-N	318.304	2.126	5	40	DEBB	
Cc1cc2c(c(=O)n1C)[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)O2	524732627	FQWIZQHMFNVRHG-GFCCVEGCSA-N	314.297	2.043	5	40	DEBB	
Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])[nH]c2c1	61229782	FHJKZSDASAMDPP-SWHYSGLUSA-N	314.345	2.200	5	40	DEBB	
C[C@H](Cn1ccnc1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	47265016	JCRPYXMSLBWIJO-NNNHXZLVSA-N	300.318	2.009	5	40	DEBB	
CS[C@@H]1CCC[C@@H]1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	107146003	WPKPBRVICVSWIX-GXTWGEPZSA-N	323.418	2.410	5	40	DEBB	
O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2C12CC2	101356360	FOISCOGVUGBTCW-SYQHCUMBSA-N	310.309	2.296	5	40	DEBB	
O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCCO1	57683848	VHMMDQRBQKUACZ-LBPRGKRZSA-N	302.290	2.102	5	40	DEBB	
COC(=O)[C@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1	12778545	JAIXSNZPYPSXKG-MYSGNRETSA-N	318.329	2.162	5	40	DEBB	
Cc1cc(NC(=O)CN2CCCc3ccc([N+](=O)[O-])cc32)no1	69876443	GFIKDHRUPWJWRW-UHFFFAOYSA-N	316.317	2.283	5	40	DEBB	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c([N+](=O)[O-])c1	6049488	RVHIKTNKBBNURC-UHFFFAOYSA-N	316.379	2.413	5	40	DEBB	
CCOc1ccc(C(=O)OCc2nc(C)no2)cc1[N+](=O)[O-]	25386574	BWSXLTNYWGGDBA-UHFFFAOYSA-N	307.262	2.042	5	40	DEBB	
CC(=O)N1CC[C@@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)C1	63527685	ADQCJOWFJALAKV-MRXNPFEDSA-N	303.362	2.039	5	40	DEBB	
CCOc1nc(OCC)nc(Oc2ccc([N+](=O)[O-])cc2)n1	4105140	KJUPICUALXAXBH-UHFFFAOYSA-N	306.278	2.370	5	40	DEBB	
C[C@@H]1CC(=O)NCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	71889456	UFKJRPUFEPJHJH-MRVPVSSYSA-N	317.267	2.328	5	40	DEBB	
C[C@H]1CCCC[C@H]1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	95481809	BMJXEDUTWJFNRT-JOYOIKCWSA-N	323.374	2.212	5	40	DEBB	
Cc1nn(C)c(NC[C@@H]2COC3(CCCCC3)O2)c1[N+](=O)[O-]	96492853	HJXKSARYXYDAMD-LLVKDONJSA-N	310.354	2.124	5	40	DEBB	
O=C(NCc1nc(C2CC2)no1)c1c(Cl)cccc1[N+](=O)[O-]	96425376	BMJAGZSZLRYWMX-UHFFFAOYSA-N	322.708	2.439	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1ccccc1	32400974	JXZPUUUIRHRPQF-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
O=C(O)c1ccc2cc([N+](=O)[O-])c3ccc(C(=O)O)nc3c2n1	5225034	XZQXNUFLUBLEIO-UHFFFAOYSA-N	313.225	2.088	5	40	DEBB	
COC(=O)c1cnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1	9951892	OEYULQTXSVWFBW-UHFFFAOYSA-N	321.314	2.399	5	40	DEBB	
C[C@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1	18202504	WOUKGDOMONFDLZ-TXEJJXNPSA-N	308.382	2.290	5	40	DEBB	
COc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	326727	UYBGLARFVVNDFR-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
CC(=O)c1c(C)[nH]c(C(=O)COc2cccnc2[N+](=O)[O-])c1C	7544756	LEEHRPXDNNBKIT-UHFFFAOYSA-N	317.301	2.399	5	40	DEBB	
CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCO1	52102574	ILJIDGDEGVTQMM-CQSZACIVSA-N	308.334	2.072	5	40	DEBB	
Cc1cccc(C(=O)NC[C@@H](O)c2ccccc2)c1[N+](=O)[O-]	57158579	FZQDVIOVNPTOIE-CQSZACIVSA-N	300.314	2.367	5	40	DEBB	
Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	58368792	ALFYQODAPCXELB-YPMHNXCESA-N	314.301	2.181	5	40	DEBB	
Cc1cccc(C(=O)N[C@H]2CCCc3c2cnn3C)c1[N+](=O)[O-]	24992772	KLQBMISJQNPTNT-ZDUSSCGKSA-N	314.345	2.444	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)OC[C@@H]1C	58246567	FXDUUTLHAWCCMH-QWHCGFSZSA-N	321.377	2.341	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)C1	3312279	XRYRZSHBFVKDJG-VXGBXAGGSA-N	320.345	2.256	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)C)nn1C	78912797	QCDAZPQUJUVOPT-UHFFFAOYSA-N	303.322	2.407	5	40	DEBB	
Cc1nc([N+](=O)[O-])c(NC[C@H](O)c2ccc(Cl)cc2)n1C	103278273	OVQVTQZQMTUEPW-NSHDSACASA-N	310.741	2.436	5	40	DEBB	
O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	5027861	AYWZFTGIMWRJHE-CUFDPUGPSA-N	312.325	2.292	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(F)cc1	3271114	VWHGFJWYMRABLD-UHFFFAOYSA-N	308.221	2.122	5	40	DEBB	
Cc1nn(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-]	6526027	FSKXMAWJPOCVIN-UHFFFAOYSA-N	318.377	2.335	5	40	DEBB	
Cc1[nH]nc(C(=O)NCCOC2CCCCCC2)c1[N+](=O)[O-]	72287920	OWENEHXSCHDKLO-UHFFFAOYSA-N	310.354	2.096	5	40	DEBB	
CC(C)(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	34802315	MJKLKDKPGDFCIN-UHFFFAOYSA-N	305.378	2.332	5	40	DEBB	
COCCN(Cc1ccccn1)c1ccc([N+](=O)[O-])c(C)n1	95414831	LWKJTEJQPYYEQZ-UHFFFAOYSA-N	302.334	2.346	5	40	DEBB	
NCCNCc1c2ccccc2c(CNCCN)c2ccccc12	19365329	DUOBHOQMGPIAHC-UHFFFAOYSA-N	322.456	2.090	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@@H](O)COc2cccc3ccccc23)cn1	24832475	NBJGPTBLDGHEEW-CYBMUJFWSA-N	313.313	2.384	5	40	DEBB	
CC(C)CCNc1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1	5033607	IRVIDJSWXNMJPP-UHFFFAOYSA-N	308.386	2.415	5	40	DEBB	
C[C@H]1CCCC[C@H]1n1ccc2nc3ccn(N)c(=O)c3cc2c1=O	40398615	MNVVLMDRNYRTLT-MEDUHNTESA-N	324.384	2.176	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	222258990	JEBWFSNKIKHTIJ-CHLMMMEMSA-N	310.309	2.152	5	40	DEBB	
CC1CCN(C[C@H](O)COc2ccc(F)cc2[N+](=O)[O-])CC1	95439056	YIWORTVHLCTDKS-ZDUSSCGKSA-N	312.341	2.206	5	40	DEBB	
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CCC[C@H]2C1	248457516	MITCFIKAIDGRPS-MELADBBJSA-N	306.362	2.066	5	40	DEBB	
Cc1noc(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1	54664347	UCUTVMZINAONAW-UHFFFAOYSA-N	316.317	2.306	5	40	DEBB	
Nc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	7468019	OOXIRALPUUKNHH-UHFFFAOYSA-N	300.270	2.217	5	40	DEBB	
Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	58368793	ALFYQODAPCXELB-AAEUAGOBSA-N	314.301	2.181	5	40	DEBB	
CC(C)N1C[C@H](O)C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1	15674873	RCACJKNUGOEHRX-OLZOCXBDSA-N	318.333	2.161	5	40	DEBB	biogenic,in-vitro
C[C@H]1CN(C(C)(C)CNc2ncccc2[N+](=O)[O-])C[C@H](C)O1	28936731	AEMACSOUEDFOML-RYUDHWBXSA-N	308.382	2.290	5	40	DEBB	
CN(C)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1	69325646	JMJKKVHUBOVYNW-UHFFFAOYSA-N	307.394	2.247	5	40	DEBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1	408571041	MZRZYBDAHWLRJT-QXHJTNOSSA-N	323.352	2.255	5	40	DEBB	
O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1	1934331	XBNYGLZKDOGCOB-UHFFFAOYSA-N	300.270	2.390	5	40	DEBB	
O=C(NCCc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1	119427	IEWWWQWPTGNPPJ-UHFFFAOYSA-N	310.313	2.444	5	40	DEBB	
CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@@H](C)OC2=O)c1	32842869	JKZVGXAVZSKYFG-HQJQHLMTSA-N	311.315	2.178	5	40	DEBB	
O=C(NCCc1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)O	4537137	GUDNWPDIJLXTIN-UHFFFAOYSA-N	314.297	2.266	5	40	DEBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1O)c1cccs1	5185609	AJZQCGOGQXZNSG-UHFFFAOYSA-N	323.355	2.489	5	40	DEBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C)C2)n1	5184593	HFQFLORRKFLQSW-QWRGUYRKSA-N	322.413	2.296	5	40	DEBB	
Cc1noc(C)c1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1	69814624	UZOSNOKTEPZBTA-UHFFFAOYSA-N	318.333	2.242	5	40	DEBB	
O=[N+]([O-])c1cnn(CCSc2nc(-c3cccs3)n[nH]2)c1	74783078	VKMQRLXLKLYMBF-UHFFFAOYSA-N	322.375	2.430	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)[C@@H]2CCCO2)c1	281367237	WMZOJSMPXKVJMS-JSGCOSHPSA-N	322.361	2.356	5	40	DEBB	
Cc1nn(C)c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1[N+](=O)[O-]	102596345	YDFMWYMVTGEARZ-NUGNTBJXSA-N	306.366	2.191	5	40	DEBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCCCC1	3371674	OCDQOMQCDMWJAY-BQYQJAHWSA-N	318.329	2.164	5	40	DEBB	
COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1OC(=O)c1ccccc1)[N+]2(C)C	104044979	NRJDVMYLISHSNW-JONQDZQNSA-N	318.393	2.012	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nc2ccccc2[nH]1	49580874	UKMFRVQYEBMUMR-UHFFFAOYSA-N	310.313	2.330	5	40	DEBB	
COc1cccc(C(=O)N[C@H](C)C(C)(C)CN(C)C)c1[N+](=O)[O-]	192621473	IRLXUMOJFKDCHA-LLVKDONJSA-N	323.393	2.310	5	40	DEBB	
Cc1nn([C@H](C)c2nc(-c3ccncc3)no2)c(C)c1[N+](=O)[O-]	1422038	CWRUZZUGGJMCAW-SNVBAGLBSA-N	314.305	2.462	5	40	DEBB	
Cc1nc2ccccn2c(=O)c1NC(=O)c1ccccc1[N+](=O)[O-]	4376049	ZUVOERFSMULZDC-UHFFFAOYSA-N	324.296	2.163	5	40	DEBB	
Cc1cccc(OC[C@@H](O)CNc2ccc([N+](=O)[O-])cn2)c1	58434497	AQIRMTLRXCOJJW-ZDUSSCGKSA-N	303.318	2.150	5	40	DEBB	
Cc1nn(CC(=O)NC2[C@H](C)CCC[C@H]2C)c(C)c1[N+](=O)[O-]	72274700	XOQYCTONSBPXBS-NXEZZACHSA-N	308.382	2.349	5	40	DEBB	
CC(C)c1noc(COC(=O)c2ccc([N+](=O)[O-])cc2N)n1	29135199	KEOOHGHRUPPKRW-UHFFFAOYSA-N	306.278	2.040	5	40	DEBB	
Cc1ccccc1[C@H](O)CNC(=O)Cc1ccccc1[N+](=O)[O-]	79028395	RFHISFLBDSONBT-MRXNPFEDSA-N	314.341	2.296	5	40	DEBB	
CC[C@H](Oc1ccc(C)nc1[N+](=O)[O-])C(=O)Nc1cc(C)on1	9321984	GPJSTYJUEFTZSE-JTQLQIEISA-N	320.305	2.391	5	40	DEBB	
C[C@@H]1CC[C@@H]2[C@H](C[N+](C)(C)C)C(=O)O[C@]23[C@@H]1CC[C@@]1(C)O[C@H]13	9411203	SNGWWISTWVXYJT-YDXRFITGSA-N	308.442	2.218	5	40	DEBB	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	103490870	QETSVXHUMUSHDS-OUAUKWLOSA-N	324.333	2.286	5	40	DEBB	
C[C@H]1C[C@H](C)CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1	9468356	JZXHJXXYCFBFGD-UWVGGRQHSA-N	302.334	2.314	5	40	DEBB	
O=[N+]([O-])c1cc(F)ccc1NCCc1nnc2n1CCCC2	97108406	VZIIDEULPKPQFL-UHFFFAOYSA-N	305.313	2.316	5	40	DEBB	
Cc1sc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-]	84028513	OTTCPPZKGDNYDN-TZMCWYRMSA-N	318.354	2.353	5	40	DEBB	
O=[N+]([O-])c1ccccc1N1CCN(c2ncccc2F)CC1	84482483	ZINVAKFWASAUHC-UHFFFAOYSA-N	302.309	2.456	5	40	DEBB	
Cc1nn(C)c2ncc(NC(=O)c3ccccc3[N+](=O)[O-])cc12	22472772	OJLRHIUVLMNSBM-UHFFFAOYSA-N	311.301	2.437	5	40	DEBB	
O=[N+]([O-])c1cccnc1N[C@@H](Cn1cncn1)c1ccccc1	96429584	ZYVPSMDJAXQQMA-ZDUSSCGKSA-N	310.317	2.435	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(C2CC2)no1	47323477	XFYSUZHDVSHIFT-UHFFFAOYSA-N	317.305	2.485	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)CN(C)C	12522115	PUZPWBICMSMDBC-UHFFFAOYSA-N	309.366	2.381	5	40	DEBB	
COc1ccc(C(=O)N(C)CCc2ccccn2)cc1[N+](=O)[O-]	4688479	QLCGNQXIYLMUJA-UHFFFAOYSA-N	315.329	2.313	5	40	DEBB	
Cc1ccccc1[C@H](O)CNC(=O)Cc1cccc([N+](=O)[O-])c1	96436517	KGTXGVSACGVWAO-MRXNPFEDSA-N	314.341	2.296	5	40	DEBB	
NNc1nc([N+](=O)[O-])nn1C(c1ccccc1)c1ccccc1	95116171	YPIHOUKNLVMEAS-UHFFFAOYSA-N	310.317	2.110	5	40	DEBB	
O=[N+]([O-])c1ccc(N2Cc3ccccc3CS2(=O)=O)cc1	35587999	BIMVWWRKTJLOBE-UHFFFAOYSA-N	304.327	2.445	5	40	DEBB	
O=[N+]([O-])c1ccc(NC2CCN(Cc3ccccn3)CC2)nc1	52407562	XMQQFRBRWBKJHV-UHFFFAOYSA-N	313.361	2.461	5	40	DEBB	
CCn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C	2762356	GOYWGRCVBJDJSG-UHFFFAOYSA-N	324.362	2.229	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)NC(C)=O)o1	85346830	SUTVHSLJGVKXEK-UHFFFAOYSA-N	304.258	2.140	5	40	DEBB	
COc1ccc(CNC(=S)Nc2ccc([N+](=O)[O-])cn2)cc1	223924794	STWCVFYVURAYFM-UHFFFAOYSA-N	318.358	2.485	5	40	DEBB	
CCCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-]	11544236	BEUHDERCYQZHGV-UHFFFAOYSA-N	304.249	2.345	5	40	DEBB	
C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1	3392646	QXXHLXZHZUJZHT-JTQLQIEISA-N	318.285	2.222	5	40	DEBB	
O=c1[nH]cnc2cc(N3CCc4ccccc4C3)c([N+](=O)[O-])cc12	9220945	LNNVAEUIMPSALQ-UHFFFAOYSA-N	322.324	2.394	5	40	DEBB	
O=[N+]([O-])c1cnc(NCCCc2nccs2)nc1NC1CC1	69740636	RQPLVDKETMDXFP-UHFFFAOYSA-N	320.378	2.460	5	40	DEBB	
CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCC1	97081363	UMQNRUAGNONCDE-CQSZACIVSA-N	303.318	2.099	5	40	DEBB	
Nc1nc(NCCc2nc3ccccc3s2)ncc1[N+](=O)[O-]	74726917	YNIOLKSIDLSPEM-UHFFFAOYSA-N	316.346	2.231	5	40	DEBB	
CC1=C(C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1	34465159	UQNCXRKGVABEMP-LBPRGKRZSA-N	319.273	2.148	5	40	DEBB	
O=[N+]([O-])c1cc(-c2noc(C3CCNCC3)n2)cc([N+](=O)[O-])c1	199783522	KDMIFTXSFCJRHG-UHFFFAOYSA-N	319.277	2.020	5	40	DEBB	
Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C)C2)cc1[N+](=O)[O-]	96455206	RIKBTTGYAYGOBM-RYUDHWBXSA-N	307.350	2.395	5	40	DEBB	
Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](C)C2)cc1[N+](=O)[O-]	96455205	RIKBTTGYAYGOBM-NWDGAFQWSA-N	307.350	2.395	5	40	DEBB	
Cc1c(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cnn1C	355645	IOSKMIRJWSWDNG-UHFFFAOYSA-N	308.725	2.220	5	40	DEBB	
CC(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]	4981355	GGUNATOPTOBDEG-CYBMUJFWSA-N	320.349	2.116	5	40	DEBB	
Cc1c(OCn2nnc3ccccc3c2=O)cccc1[N+](=O)[O-]	53837339	WRHROXYGXKVYAL-UHFFFAOYSA-N	312.285	2.045	5	40	DEBB	
Cc1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)nc1	12951722	ZIPQXIJVNIVPJC-UHFFFAOYSA-N	303.322	2.140	5	40	DEBB	
CCC(C)(C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	65411517	WTKMAEWMKOAZFI-UHFFFAOYSA-N	317.349	2.402	5	40	DEBB	
COc1ccc([C@H](C[N+](=O)[O-])c2c(O)cc(C)oc2=O)cc1	5577458	YWIVZSYBWRUIHR-LBPRGKRZSA-N	305.286	2.071	5	40	DEBB	
COc1cc(CCNC(=O)c2ccoc2)c([N+](=O)[O-])cc1OC	16263598	QWWWARVFDINQKA-UHFFFAOYSA-N	320.301	2.178	5	40	DEBB	
O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@@H]1CCCO1	240209	MTQXGIZWLFUPTA-GXTWGEPZSA-N	308.359	2.348	5	40	DEBB	
COC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	8403105	HGIIROWMUYTTOZ-UHFFFAOYSA-N	305.242	2.185	5	40	DEBB	
NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(F)ccc1[N+](=O)[O-]	106518594	KDFOMIYYCVSKNC-DGFSRKRXSA-N	321.352	2.352	5	40	DEBB	
O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	4155818	CARARMWAMTUKGH-DTVLGXAZSA-N	304.302	2.280	5	40	DEBB	
Cc1cc(S(=O)(=O)Nc2cccc(O)c2)ccc1[N+](=O)[O-]	179258797	XJHGPRMKRCRSBH-UHFFFAOYSA-N	308.315	2.410	5	40	DEBB	
NC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1F	31987860	DEENZNKJOTWONQ-UHFFFAOYSA-N	317.276	2.014	5	40	DEBB	
Cc1nc2ccccc2n1S(=O)(=O)c1ccccc1[N+](=O)[O-]	287853	WATRXHCSXVHKEI-UHFFFAOYSA-N	317.326	2.490	5	40	DEBB	
CN(C)C(=O)[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1	6977908	GVFMEMYJHKNGMG-CYBMUJFWSA-N	301.302	2.198	5	40	DEBB	
COc1cc(C(=O)Nc2nnc(C)s2)c([N+](=O)[O-])cc1OC	1838671	GJKHNHDBJIGXNY-UHFFFAOYSA-N	324.318	2.024	5	40	DEBB	
CN(C(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc2c(c1)CCO2	97050670	KFSQMMHYVNNQOV-UHFFFAOYSA-N	313.313	2.389	5	40	DEBB	
CNC(=O)c1ccc(CN(C)c2ccc(C)cc2[N+](=O)[O-])o1	95406089	ZXSYNRNASWGZAR-UHFFFAOYSA-N	303.318	2.492	5	40	DEBB	
Cc1ccc(N2CCC(Cn3ccnn3)CC2)c([N+](=O)[O-])c1	95973497	KEBQUCRAGXXZOL-UHFFFAOYSA-N	301.350	2.411	5	40	DEBB	
O=C1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CN1CC(F)(F)F	75142979	VLDSBFWLVBLGOR-SECBINFHSA-N	303.240	2.170	5	40	DEBB	
C[C@H](C(=O)Nc1ccc2c(c1)CCC2)n1cc([N+](=O)[O-])cn1	97233262	QTUQBJMHUXBKDB-SNVBAGLBSA-N	300.318	2.480	5	40	DEBB	
NC(=O)c1ccc(CN2CCOc3ccccc32)c([N+](=O)[O-])c1	30594542	JYRYVCVPOIQLKO-UHFFFAOYSA-N	313.313	2.093	5	40	DEBB	
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1nccs1	31730496	VFXBZHXLPDPLKS-UHFFFAOYSA-N	303.303	2.040	5	40	DEBB	
C[N+]1(C)CCN(S(=O)(=O)c2ccccc2)c2ccccc21	1696112	REPCUUKGVGGSSS-UHFFFAOYSA-N	303.407	2.462	5	40	DEBB	
Cc1cc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)no1	69530607	BPKIZSYNJBHQLA-UHFFFAOYSA-N	312.285	2.163	5	40	DEBB	
COc1cc(C(=O)N[C@@H]2CC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1C	195579914	NABSZIMXRUKSLC-CHWSQXEVSA-N	321.377	2.124	5	40	DEBB	
CCS(=O)(=O)[C@@](C)(Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	96520392	YWDMWLXRXDQEGY-GHMZBOCLSA-N	307.755	2.018	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO	101193839	YIOXOEUETRIOJP-NUZBWSBOSA-N	305.334	2.123	5	40	DEBB	
O=C(NCCc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-]	21708934	OOPXVICZVGYGCO-UHFFFAOYSA-N	314.297	2.296	5	40	DEBB	
CC(C)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1	69702426	OPTHNRGUWUODJT-GFCCVEGCSA-N	323.368	2.471	5	40	DEBB	
COc1nonc1OCCNc1cc(Cl)ccc1[N+](=O)[O-]	4551615	SSIVBIOWZTUVQA-UHFFFAOYSA-N	314.685	2.131	5	40	DEBB	
O=[N+]([O-])c1c(N[C@@H](CO)Cc2ccccc2)nc2sccn12	78411478	WDDXAEYGYXPPCG-LLVKDONJSA-N	318.358	2.320	5	40	DEBB	
O=C(CSc1ncnc2[nH]ncc12)c1cccc([N+](=O)[O-])c1	5323150	MHGISXDNUVIJRR-UHFFFAOYSA-N	315.314	2.236	5	40	DEBB	
Cc1[nH]nc(C(=O)NCC2(c3ccccc3)CC2)c1[N+](=O)[O-]	64335530	CCMRWQOWUCYCKF-UHFFFAOYSA-N	300.318	2.088	5	40	DEBB	
O=C(c1cncs1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	9322844	KXCKFECDYZFLKD-UHFFFAOYSA-N	318.358	2.014	5	40	DEBB	
N=C(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	95452488	JSNSZKRIWVNWKT-UHFFFAOYSA-N	314.257	2.258	5	40	DEBB	
CC(C)n1cnnc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	79001380	NKLGSDJVNLTWMJ-VMPITWQZSA-N	315.333	2.097	5	40	DEBB	
CC(C)c1noc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1	31822128	COLBFQNXTCCCDT-UHFFFAOYSA-N	304.262	2.057	5	40	DEBB	
O=C(NC[C@@H](O)c1ccsc1)c1cc(F)ccc1[N+](=O)[O-]	96475406	RHTITXXMFFMPGO-GFCCVEGCSA-N	310.306	2.259	5	40	DEBB	
CO[C@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2C)n1	96449445	DBGGHZYRMDECHY-SECBINFHSA-N	307.310	2.025	5	40	DEBB	
CC[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2	526108	HKFMCZVBOTVKDM-SHIAMNQESA-N	318.437	2.466	5	40	DEBB	
Cc1cc(C)n(-c2ccccc2NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n1	44490603	OJUZQZGRZAEKIZ-RISCZKNCSA-N	300.318	2.093	5	40	DEBB	
CC(C)c1nncn1CCNc1ncc([N+](=O)[O-])cc1Cl	80229911	YAALYYKZSSKGKD-UHFFFAOYSA-N	310.745	2.470	5	40	DEBB	
C[C@H](NCC1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1	90883038	HWURWBLDWDXOGZ-NSHDSACASA-N	312.391	2.070	5	40	DEBB	
Nc1c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc(F)cc1[N+](=O)[O-]	69537510	RVJONCLQVJGRFG-DGCLKSJQSA-N	323.324	2.100	5	40	DEBB	
C[C@@H]1Oc2ccc([N+](=O)[O-])nc2N(Cc2ccc(F)cc2)C1=O	94988202	KEFKBIBCCBKVDA-VIFPVBQESA-N	317.276	2.443	5	40	DEBB	
O=C(NCCc1cn2ccsc2n1)c1cccc([N+](=O)[O-])c1	4248526	PRJZDOPNUJTJPA-UHFFFAOYSA-N	316.342	2.277	5	40	DEBB	
CCOC(=O)[C@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C	72290146	XNDQHUTYOAVPTP-MRXNPFEDSA-N	322.361	2.231	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(F)cc1Cl	685936731	UJEVPGSUCUQCRS-UHFFFAOYSA-N	313.672	2.419	5	40	DEBB	
Cc1nn(C[C@@H](C)C(=O)Nc2nccs2)c(C)c1[N+](=O)[O-]	2792143	QOHVVRPUMWGCTJ-SSDOTTSWSA-N	309.351	2.139	5	40	DEBB	
CCOCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1	79064841	JZOHKVBJCBZQIP-UHFFFAOYSA-N	308.334	2.189	5	40	DEBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCN2CCCC[C@H]12	47226795	YXAKSGRPDJHZLU-APPUJDCNSA-N	315.373	2.351	5	40	DEBB	
CCc1nc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc1C	47424256	FLKFSCVAKJDUBP-UHFFFAOYSA-N	323.378	2.374	5	40	DEBB	
Cc1noc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1	84281631	BHYIDNVPSRUFRQ-QRJSTWQJSA-N	302.290	2.177	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N1CCC([C@H](O)c2ccccc2)CC1	12577942	GKFIMXGNTCDXLU-CQSZACIVSA-N	316.361	2.278	5	40	DEBB	
Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)cc1	408712716	KRCOOVZOSWNLAJ-UHFFFAOYSA-N	321.310	2.434	5	40	DEBB	
CNC(=O)c1cnc(/C=C/c2cc(O)ccc2[N+](=O)[O-])s1	89392170	VWQZWMOBERPAHR-GORDUTHDSA-N	305.315	2.287	5	40	DEBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccncc1F	120857163	KYRMTRDJVSMJPD-UHFFFAOYSA-N	311.294	2.238	5	40	DEBB	
O=C(Nc1cccc(O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3014733	WETISRHWFQFAHW-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
COc1cc([N+](=O)[O-])c(OC)cc1I	1676017	ZKEPXTRWLFMRSE-UHFFFAOYSA-N	309.059	2.217	5	40	DEBB	
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1	7058941	GUGVVMJQGSHRPM-JTQLQIEISA-N	307.331	2.029	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCCC[C@@H]1C	68818523	QZCNNHJFIPYVMA-NSHDSACASA-N	307.350	2.416	5	40	DEBB	
COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(OC)c1	75094534	ZOQKSIFCYNFKOD-UHFFFAOYSA-N	317.301	2.447	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c1	44900294	FRGXIPBEBCCJDK-SUHUHFCYSA-N	310.375	2.203	5	40	DEBB	
O=[N+]([O-])c1cc(F)cc(N2CCN(c3ccccn3)CC2)c1	258834216	OPWCYJCOPUYPIP-UHFFFAOYSA-N	302.309	2.456	5	40	DEBB	
Nc1nc(N2CCCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-]	4305918	ZUVYHKRWYDNGJS-UHFFFAOYSA-N	318.312	2.450	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)s1	67877173	BEMGEIAKTYVJIN-QWRGUYRKSA-N	324.383	2.491	5	40	DEBB	
Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(F)(F)F	12199001	BTIPQUQSMZZJFH-UHFFFAOYSA-N	319.268	2.211	5	40	DEBB	
O=C(O)CCCCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	1557953	ZQDMXYHEXRDAHM-LURJTMIESA-N	308.545	2.273	5	40	DEBB	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1C[C@H]1[N+](=O)[O-]	106566564	LRZRPHCGXWLJKS-WCABBAIRSA-N	305.359	2.481	5	40	DEBB	
CC(C)[C@H](NC(=O)Cn1cnc([N+](=O)[O-])c1)c1ccc(F)cc1	12748496	CXLKCJQFUXYTNT-HNNXBMFYSA-N	320.324	2.444	5	40	DEBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CCCC[C@@H]21	83884222	UAFQNLHFXSUQCU-GJZGRUSLSA-N	319.361	2.420	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(CC2CC2)CC1	55668791	FQZQTJCSOQFEIL-UHFFFAOYSA-N	323.780	2.416	5	40	DEBB	
O=C(Nc1ccc(F)cc1OC(F)F)c1cc([N+](=O)[O-])n[nH]1	6447974	YPMXHAQPWIDAAG-UHFFFAOYSA-N	316.195	2.311	5	40	DEBB	
Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cn1	71893744	ILYHDOHUFBEBST-UHFFFAOYSA-N	317.324	2.038	5	40	DEBB	
Cc1c(N)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	36296273	DZFHJBQMEPAGNB-UHFFFAOYSA-N	307.331	2.286	5	40	DEBB	
COCCn1nc(Br)c2cc([N+](=O)[O-])ccc21	72220011	ZYSDTWSJLAAUKJ-UHFFFAOYSA-N	300.112	2.353	5	40	DEBB	
COC(=O)c1cc(CNc2ncccc2[N+](=O)[O-])ccc1OC	23702936	UOCSQIAAVLFZQZ-UHFFFAOYSA-N	317.301	2.397	5	40	DEBB	
O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@H]1CO	95443409	SATAAMWZYNMPAW-DZGCQCFKSA-N	306.362	2.195	5	40	DEBB	
CN(CCc1cccs1)C(=O)c1cnc(O)c([N+](=O)[O-])c1	193646392	SOGWEBKFUUAOFO-UHFFFAOYSA-N	307.331	2.072	5	40	DEBB	
C[C@](NCc1c(F)cccc1[N+](=O)[O-])(C(N)=O)c1ccccc1	96404051	WLHLESSPQGLGIP-MRXNPFEDSA-N	317.320	2.224	5	40	DEBB	
O=C(NC[C@H]1COC2(CCCC2)O1)c1ccccc1[N+](=O)[O-]	10220498	MGELDRBDNOLOKH-NSHDSACASA-N	306.318	2.010	5	40	DEBB	
CC(C)(C)C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8902436	YJJDELDJAJWMPP-UHFFFAOYSA-N	307.350	2.416	5	40	DEBB	
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccccc1OC(F)F	12787476	WEKYLNHPYSWBNK-UHFFFAOYSA-N	312.232	2.031	5	40	DEBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)NOCc1ccccc1	69349986	HXROSIJSGGCOLU-UHFFFAOYSA-N	301.302	2.498	5	40	DEBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccco2)c1C	9517040	CIWAHINDPFFTCC-UHFFFAOYSA-N	310.331	2.283	5	40	DEBB	
Cn1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1=O	97047018	ZFMIGGMQULHTQO-UHFFFAOYSA-N	322.704	2.304	5	40	DEBB	
O=C(NCc1cccc([N+](=O)[O-])c1)N1CCOC2(CCCC2)C1	89780826	VMFARAUQMNHPMU-UHFFFAOYSA-N	319.361	2.449	5	40	DEBB	
CS(=O)(=O)c1ccc(CCNc2ncccc2[N+](=O)[O-])cc1	78380668	KKZQVUNTWZBMAX-UHFFFAOYSA-N	321.358	2.048	5	40	DEBB	
O=C(O)CSc1nnc(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]1	224972248	UJCXSTICLPARKH-UHFFFAOYSA-N	314.710	2.210	5	40	DEBB	
COc1ccnc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	76016624	NMLPLQSPQFCTGC-JTQLQIEISA-N	301.302	2.489	5	40	DEBB	
CCCCn1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	6274047	LWLMERLOBHDGFQ-UHFFFAOYSA-N	324.728	2.287	5	40	DEBB	
O=C1NC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21	13534174	LRALCSUVMPPIFF-CQSZACIVSA-N	311.297	2.061	5	40	DEBB	
COc1nc(OC)nc(Oc2ccc(Cl)c([N+](=O)[O-])c2)n1	376988	QDLZRUUNDGEHAD-UHFFFAOYSA-N	312.669	2.243	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccnn1C	97145822	LSIHETLTAADHGS-UHFFFAOYSA-N	303.322	2.267	5	40	DEBB	
CS[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C	107539573	VKKQEKNUJYYBPO-WDEREUQCSA-N	316.814	2.125	5	40	DEBB	
COc1ccccc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	3265640	ZNIXLGUDFBTMTH-CQSZACIVSA-N	316.313	2.067	5	40	DEBB	
Cc1c(NC(=O)NCCCN2CCCC2=O)cccc1[N+](=O)[O-]	58266002	DZGRLKBUGBAPEX-UHFFFAOYSA-N	320.349	2.037	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1Nc1cccc(NC(=O)C2CC2)c1	29526648	XBTIQXIWPXTFBS-UHFFFAOYSA-N	301.306	2.420	5	40	DEBB	
Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1[N+](=O)[O-]	411647	GKDYDCOYYLUEBO-UHFFFAOYSA-N	311.301	2.287	5	40	DEBB	
O=C(O)[C@H](c1ccc([N+](=O)[O-])cc1)[S@](=O)Cc1ccco1	77028690	DNKPBQVNNBANEQ-QKVFXAPYSA-N	309.299	2.262	5	40	DEBB	in-vitro
Cc1ccn(CC(=O)N[C@H](C)c2cccs2)c(=O)c1[N+](=O)[O-]	84247988	OTGRXAABOLRQIE-SNVBAGLBSA-N	321.358	2.004	5	40	DEBB	
CNc1ccc(C(=O)Nc2ccc(N(C)C)cn2)cc1[N+](=O)[O-]	58060329	SQSNNHAHUQCMHG-UHFFFAOYSA-N	315.333	2.350	5	40	DEBB	
COc1ccc(C(=O)OCC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	6600679	DQKLMJXTCBXVMT-UHFFFAOYSA-N	311.290	2.102	5	40	DEBB	
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)on1	96448165	IVOBYHPDQYOUKA-UHFFFAOYSA-N	311.319	2.254	5	40	DEBB	
CCC(C)(C)NC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C	32145763	LWPJMWRGWHWFLO-UHFFFAOYSA-N	317.349	2.402	5	40	DEBB	
O=C(NO[C@H]1CCCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	58416113	QZOXYRCNJRIPCI-AWEZNQCLSA-N	321.333	2.357	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C=C(C)C	3525697	IWMVHGZPWHHSHE-UHFFFAOYSA-N	308.290	2.051	5	40	DEBB	
Cc1cc(N[C@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1	97083755	OOVFIVAQLANRCB-JTQLQIEISA-N	321.358	2.050	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1	260408635	FRGXIPBEBCCJDK-JKOKRWQUSA-N	310.375	2.203	5	40	DEBB	
Cc1cc(N2CCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-]	160390528	ABKDZIGGPZLUTL-OAHLLOKOSA-N	305.378	2.204	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccccc2)c2nonc12	1757978	PVMUCEMCWMKDMP-UHFFFAOYSA-N	319.298	2.105	5	40	DEBB	in-vitro
CCOc1cccc(N[C@@H]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-]	97140722	LOZVSFDOACJJPY-WDEREUQCSA-N	307.350	2.450	5	40	DEBB	
O=C(c1ccccc1)N1N=CC[C@]1(O)c1ccc([N+](=O)[O-])cc1	335286	LNPWHGQKLUNNOW-INIZCTEOSA-N	311.297	2.272	5	40	DEBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc2c(c1)CCC2	12546758	OHYBJDLWXZKHJW-UHFFFAOYSA-N	313.313	2.496	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccnc1-n1cncn1	24933170	QSCRQMBQCSRSGC-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
CC[C@](Cl)([C@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	96520708	GDAAAYIZVSPRSL-VXGBXAGGSA-N	321.782	2.408	5	40	DEBB	
C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]2CC[C@H]1C2	102596329	YKJSYULAWIYHAE-UHXUPSOCSA-N	306.366	2.122	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1	12638631	QRDWXRFFUNWSCQ-PHIMTYICSA-N	312.391	2.481	5	40	DEBB	
Cc1ccsc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	22061600	VIHXTYBNIUBJBM-LBPRGKRZSA-N	306.343	2.428	5	40	DEBB	
Nc1ccc(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cn1	71893743	ZNAYKXASUDRHTJ-UHFFFAOYSA-N	317.324	2.038	5	40	DEBB	
Cc1nc(C2(NC(=O)c3cccc([N+](=O)[O-])c3)CCCC2)no1	32901892	VDYHRASIXPXMDS-UHFFFAOYSA-N	316.317	2.486	5	40	DEBB	
CC(=O)c1ccc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1	52131338	WZBJAJBUJGJFJT-AWEZNQCLSA-N	321.377	2.056	5	40	DEBB	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccccn1	24176863	LSWCHLMWUYRBGF-UHFFFAOYSA-N	314.345	2.498	5	40	DEBB	
Cc1ncc(C(=O)NCCNc2ccccc2[N+](=O)[O-])s1	63501550	NYVPYOFZVWLOPM-UHFFFAOYSA-N	306.347	2.202	5	40	DEBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	4611473	YQKYDRKOTQXDST-UHFFFAOYSA-N	304.755	2.423	5	40	DEBB	
O=Cc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1	4833214	FAHGZVDPMNXOPE-UHFFFAOYSA-N	300.270	2.425	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N2CCCC2)C1	69897519	ZDGNJPXRKQXHLI-INIZCTEOSA-N	317.389	2.224	5	40	DEBB	
O=[N+]([O-])c1cccc(OCCn2nnc(-c3ccccc3)n2)c1	47369200	YSSVYGQYKFQEES-UHFFFAOYSA-N	311.301	2.327	5	40	DEBB	
O=C(CS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	3201223	IJTVEBASSUCYOH-UHFFFAOYSA-N	305.311	2.251	5	40	DEBB	
O=C(COc1cc(F)ccc1[N+](=O)[O-])NCc1cccs1	3572644	ABEUQQRMWOUYRH-UHFFFAOYSA-N	310.306	2.491	5	40	DEBB	
Cc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1	13149771	WFTYWZUNLRSPJH-UHFFFAOYSA-N	304.258	2.292	5	40	DEBB	
O=C(O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	3884698	PRWBOHFORNIFNJ-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2ccn[nH]2)CC1	97097426	SGNXCABJDAUTNU-UHFFFAOYSA-N	316.317	2.043	5	40	DEBB	
C[C@@H](NC(CO)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1	95968592	VHCHYVYHEODKLI-SNVBAGLBSA-N	322.386	2.327	5	40	DEBB	
C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C)CC1	75610584	RZTQFKFLQOFHDW-LLVKDONJSA-N	312.801	2.296	5	40	DEBB	
Cc1cn(CCCc2nnc3n2CCCCC3)nc1[N+](=O)[O-]	72334173	KURKAKNMSMXSCO-UHFFFAOYSA-N	304.354	2.050	5	40	DEBB	
Cc1c(NC(=O)NCc2noc(C3CC3)n2)cccc1[N+](=O)[O-]	343161622	WARJREPANCVVDM-UHFFFAOYSA-N	317.305	2.485	5	40	DEBB	
C[C@@H](CCS(C)(=O)=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1	95969385	MRVXSYYPFRAPTO-WDEREUQCSA-N	300.380	2.069	5	40	DEBB	
C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])Oc1nonc1N	5357314	BEFAPOZTZTUQNW-ZCFIWIBFSA-N	313.701	2.093	5	40	DEBB	
O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2)nc2c1CCC2	11902996	UOYOUXVOGKGLHC-UHFFFAOYSA-N	303.343	2.459	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCC[C@H](CN3CCOCC3)C2)cc1	76063041	DKYYUDQKLWKWNG-CQSZACIVSA-N	305.378	2.143	5	40	DEBB	
CNc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	36287830	RBTIEFRAIRKPCY-UHFFFAOYSA-N	307.331	2.437	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)cn1	6510636	BRNVSBRGENQMFO-UHFFFAOYSA-N	300.318	2.022	5	40	DEBB	
C[C@H](O)C[C@@H]1COCCN1c1ccc(Cl)cc1[N+](=O)[O-]	225560906	ALCMMEHTCREVTR-GXSJLCMTSA-N	300.742	2.224	5	40	DEBB	
CNC(=O)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1	32806284	PKBIKXSPBYNVNW-UHFFFAOYSA-N	317.330	2.407	5	40	DEBB	
Cc1nn(CCCC(=O)Nc2ccccn2)c(C)c1[N+](=O)[O-]	1432079	RFKHHKIFBAWZHK-UHFFFAOYSA-N	303.322	2.222	5	40	DEBB	
CC(C)n1cnc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1	225603050	HOMSUOXAPDIZFU-UHFFFAOYSA-N	317.349	2.214	5	40	DEBB	
NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(F)ccc1[N+](=O)[O-]	106518597	KDFOMIYYCVSKNC-XEGUGMAKSA-N	321.352	2.352	5	40	DEBB	
C[C@@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1	95422657	RBLBMKCWTJCNJZ-MLGOLLRUSA-N	317.393	2.282	5	40	DEBB	
CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1	1558504503	YGWNBSDWCZXOKI-GFCCVEGCSA-N	311.769	2.318	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CC[C@@H](CCO)C2)cc1OC(F)F	78366019	WEDZCTRFQGTJOM-VIFPVBQESA-N	302.277	2.405	5	40	DEBB	
COC(=O)c1ccc2c(=O)[nH]c3cc4ccccc4c(=O)n3c2c1	3218280	IBSPJWPYRIKVSI-UHFFFAOYSA-N	320.304	2.081	5	40	DEBB	
NC(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2)c([N+](=O)[O-])c1	26508924	LJWUHTNECJCLKU-UHFFFAOYSA-N	316.273	2.214	5	40	DEBB	
COc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1	30835723	MWRXCYNHUXYLGV-UHFFFAOYSA-N	316.313	2.412	5	40	DEBB	
CN(C)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	5393727	WGZSYUYYVRGSAW-UHFFFAOYSA-N	311.297	2.461	5	40	DEBB	
CN(C)C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	32860262	HNDRXJBPHVXVKK-UHFFFAOYSA-N	312.757	2.052	5	40	DEBB	
O=[N+]([O-])c1nc(Br)n(Cc2ccccc2F)n1	206309	BYRPCSURARMAJM-UHFFFAOYSA-N	301.075	2.136	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1	3896947	RISXEBLJZJBHLM-TUAOUCFPSA-N	310.375	2.309	5	40	DEBB	
NC1=Nc2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)N1	3177735	MKPGPLNWEGNLML-ZDUSSCGKSA-N	308.301	2.041	5	40	DEBB	
O=C(Nc1ncc([N+](=O)[O-])s1)c1c[nH]c2ccccc2c1=O	36359340	ANMGRFJXFRPUMV-UHFFFAOYSA-N	316.298	2.145	5	40	DEBB	
N[C@H](C(=O)O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	199810878	JSRNNDZWCKQWJE-AWEZNQCLSA-N	302.286	2.258	5	40	DEBB	
CC(C)(C)[C@@H]1CCCC[C@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	195531724	ZRKPVRRHROONNE-RBSFLKMASA-N	324.425	2.347	5	40	DEBB	
O=C1C[C@@H]([C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc21	5892167	FTUCCNRWNKIWOO-SJKOYZFVSA-N	324.292	2.105	5	40	DEBB	
Cc1nc2ccccn2c(=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1	4376052	ABORXALYBPZTBT-UHFFFAOYSA-N	324.296	2.163	5	40	DEBB	
CCCn1c(=O)n(CCC)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21	20004244	HCDBBOQKMROEFU-UHFFFAOYSA-N	308.294	2.439	5	40	DEBB	
O=C(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1	103009124	NXDWXBACIUIESD-UHFFFAOYSA-N	312.281	2.375	5	40	DEBB	
COc1ccc(C(=O)NCCCOCC(C)C)cc1[N+](=O)[O-]	10507286	MBJKDFLXRJTASA-UHFFFAOYSA-N	310.350	2.396	5	40	DEBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)n1	5076605	HRIUPSGYSZYWBV-UHFFFAOYSA-N	308.729	2.430	5	40	DEBB	
COc1ccc(CCNc2c([N+](=O)[O-])ncn2C)cc1OC	4811470	RPIPTRVEJODHJM-UHFFFAOYSA-N	306.322	2.000	5	40	DEBB	
COc1cc(N(C)Cc2nnc3ccccn23)ccc1[N+](=O)[O-]	83867918	JWCDUUAZILEEEY-UHFFFAOYSA-N	313.317	2.283	5	40	DEBB	
CC[C@]1(C)CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1	195574722	JZBJYAVNGITNHM-OAHLLOKOSA-N	307.350	2.305	5	40	DEBB	
NC(=O)CCSc1ccc(Br)cc1[N+](=O)[O-]	89768254	RWARECQROGVVJN-UHFFFAOYSA-N	305.153	2.325	5	40	DEBB	
Cc1ccnc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)c1	181490	ULRMYTGMVIRRCF-UHFFFAOYSA-N	309.713	2.095	5	40	DEBB	
CN(C[C@H](O)COCc1ccccc1)c1ncccc1[N+](=O)[O-]	78672131	XNDQMRDJIOLIPC-AWEZNQCLSA-N	317.345	2.004	5	40	DEBB	
O=[N+]([O-])c1ccc(-c2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1	3148001	VQEGOPAKZYDWCU-UHFFFAOYSA-N	312.245	2.146	5	40	DEBB	
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	71857397	FVQFTBATOCROEI-MWLCHTKSSA-N	312.297	2.257	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1NCCNc1ccc2ccccc2n1	58162641	WEKAJNPBBGJAAI-UHFFFAOYSA-N	312.333	2.401	5	40	DEBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccnc2)c1	4035970	ACTOOLDFXVKYOB-UHFFFAOYSA-N	313.722	2.444	5	40	DEBB	
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2ccccn2)n1	4881113	AWUINIXWVVANMJ-UHFFFAOYSA-N	313.273	2.329	5	40	DEBB	
COC(=O)c1ccc(Cl)c(Cn2ccc(=O)c([N+](=O)[O-])c2)c1	96004645	RHXYPKAAZSCJDO-UHFFFAOYSA-N	322.704	2.245	5	40	DEBB	
COc1c(C(=O)N2CCN(C)CC2)cc(C(C)C)cc1[N+](=O)[O-]	72206673	OINOBDCQMHWTEB-UHFFFAOYSA-N	321.377	2.114	5	40	DEBB	
O=[N+]([O-])c1ccc(CN(CCO)Cc2cccnc2)c(F)c1	96476122	WUXIFZWSXVXNCO-UHFFFAOYSA-N	305.309	2.123	5	40	DEBB	
Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2N)cc1	5002975	OUCHJPBGRDINDC-UHFFFAOYSA-N	307.331	2.286	5	40	DEBB	
C[C@H]1CCCCN1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	2779307	DXAFAQVGOKCICA-NSHDSACASA-N	318.333	2.447	5	40	DEBB	
O=C(C1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	9221086	UFJHAZXTSRNLCZ-UHFFFAOYSA-N	303.362	2.434	5	40	DEBB	
CC(=O)N1CC[C@@]2(CCCN(Cc3cccc([N+](=O)[O-])c3)C2)C1	63527731	BYDOJUUGDALKNZ-QGZVFWFLSA-N	317.389	2.429	5	40	DEBB	
N[C@@H](c1ccccc1)c1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1	95533454	ACULLFMEEVVNPB-HNNXBMFYSA-N	309.329	2.352	5	40	DEBB	
C[C@@]1(O)CC(C(F)(F)F)=NN1C(=O)c1ccccc1[N+](=O)[O-]	324070	RLZISNSFPFXVNA-LLVKDONJSA-N	317.223	2.068	5	40	DEBB	
C[N+]1(CCCNC(=O)Nc2ccc(Cl)cc2)CCOCC1	1736408	BFMDTUHVYZNORD-UHFFFAOYSA-O	312.821	2.328	5	40	DEBB	
CSc1ccc(C(=O)NCCCn2ccnc2)cc1[N+](=O)[O-]	29695054	WODZIWCBYMLBLI-UHFFFAOYSA-N	320.374	2.333	5	40	DEBB	
O=C1OCC[C@H]1Sc1nnc(-c2cccc([N+](=O)[O-])c2)o1	4740803	KSJIHJRYKYBCKD-SECBINFHSA-N	307.287	2.052	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C3CCOCC3)C2=O)c1	88726992	VBUAGYSSHDPOTQ-ZDUSSCGKSA-N	319.361	2.095	5	40	DEBB	
Cc1cc(C)nc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)c1	4710443	FIAHYFIAGXPEPZ-UHFFFAOYSA-N	303.322	2.222	5	40	DEBB	
O=C(NC1C[C@@H]2CC[C@@H](C1)N2C1CC1)c1ccc([N+](=O)[O-])cc1	100423000	WBTNRRAIGOEEIY-HOTGVXAUSA-N	315.373	2.482	5	40	DEBB	
O=C(NCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])s1	17859693	ZROSHUXSOWAQCY-UHFFFAOYSA-N	320.326	2.358	5	40	DEBB	
Nc1nc(Nc2ccccc2F)nc(N2CCCC2)c1[N+](=O)[O-]	5185521	WXZPPQXQHMGTNO-UHFFFAOYSA-N	318.312	2.450	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@@H]2C12CC2	4379881	AVTTZUXWWZWWCH-CRWXNKLISA-N	310.309	2.296	5	40	DEBB	
CCC(CC)c1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)[nH]n1	97045565	OYDBWTJPSLLQJY-UHFFFAOYSA-N	306.326	2.207	5	40	DEBB	
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1Cc2ccccc2C1	97085929	PKORFNCVBFTPDW-OAHLLOKOSA-N	314.341	2.350	5	40	DEBB	
CO[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1	95991457	GOKBTUQPXIWENQ-LURJTMIESA-N	303.112	2.331	5	40	DEBB	
CN(CCOc1ccccc1Cl)C(=O)c1n[nH]cc1[N+](=O)[O-]	95978093	JXYVFQWGKVLJLG-UHFFFAOYSA-N	324.724	2.122	5	40	DEBB	
C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CCS1(=O)=O	192049946	SWVUPUKHIOZZPQ-DIECRNLCSA-N	324.402	2.117	5	40	DEBB	
Cc1cc(=O)n(CC(=O)N[C@@H](C)c2cccs2)cc1[N+](=O)[O-]	89568480	SUNSWBULCHIPTB-JTQLQIEISA-N	321.358	2.004	5	40	DEBB	
O=[N+]([O-])c1ccccc1/C=C/CN1CCN(CC(F)F)CC1	92586482	JVHVPLNBVMLKFQ-HWKANZROSA-N	311.332	2.491	5	40	DEBB	
CCc1nnsc1C(=O)N(C)Cc1cccc([N+](=O)[O-])c1	32824829	CYROEWJPKOCDTL-UHFFFAOYSA-N	306.347	2.281	5	40	DEBB	
O=C(O)c1cccc2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2	1717034	AISQMVBMLVZLLY-UHFFFAOYSA-N	314.209	2.413	5	40	DEBB	
COc1c([N+](=O)[O-])cc(NC(=O)C(F)(F)F)cc1[N+](=O)[O-]	8560743	HDVUGNOLSLKTRB-UHFFFAOYSA-N	309.156	2.012	5	40	DEBB	
O=[N+]([O-])c1ccccc1Sc1nnc(N2CCOCC2)s1	58440903	OKPWXMBGLNIGOS-UHFFFAOYSA-N	324.387	2.434	5	40	DEBB	
COc1ccccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-]	5262243	JCBZIVSIHCYQMJ-UHFFFAOYSA-N	301.302	2.314	5	40	DEBB	
Cc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccn12	89708982	QHWXEJYZFZFJIM-UHFFFAOYSA-N	310.313	2.481	5	40	DEBB	
Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1ccccc1[N+](=O)[O-]	31592310	UFXBHKXIZCLANG-ZDUSSCGKSA-N	314.345	2.065	5	40	DEBB	
Cc1nn(C)c(N(C)Cc2nc3ccccc3n2C)c1[N+](=O)[O-]	96418708	QLIOIHFSBZYBMA-UHFFFAOYSA-N	314.349	2.160	5	40	DEBB	
O=C(NCCc1cccs1)c1cc2c(cc1[N+](=O)[O-])OCO2	24982349	HTICEYCTKAQAIU-UHFFFAOYSA-N	320.326	2.358	5	40	DEBB	
CCc1nnc(NC(=O)CCNc2ccccc2[N+](=O)[O-])s1	12645672	VHCOCCLIMRNZAZ-UHFFFAOYSA-N	321.362	2.449	5	40	DEBB	
O=C1C[C@H](Nc2ncccc2[N+](=O)[O-])CN1Cc1ccccc1	69808461	ZVRQVUHHQJIURP-ZDUSSCGKSA-N	312.329	2.203	5	40	DEBB	
CC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1	72313814	KAMSUKRQISMQHS-UHFFFAOYSA-N	314.301	2.388	5	40	DEBB	
CN(Cc1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])nc1	89356118	SGFRBVACXWDEHU-NRFANRHFSA-N	305.359	2.364	5	40	DEBB	
O=C(CN1CCO[C@@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-]	63566972	SOTUWNQBKCIOHP-HUUCEWRRSA-N	319.361	2.177	5	40	DEBB	
Cc1[nH]c2ccccc2c1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-]	4770669	QLMOMCRZNLCDDS-VOTSOKGWSA-N	312.285	2.344	5	40	DEBB	
CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-]	70367	YUWHXONWAWNDSC-ZDUSSCGKSA-N	319.317	2.128	5	40	DEBB	
Cc1nc([N+](=O)[O-])c(NC[C@H](O)c2ccc(F)c(F)c2)n1C	103278280	JKNXDSPRMDGDJO-NSHDSACASA-N	312.276	2.060	5	40	DEBB	
O=C(COC(=O)/C=C/c1ccco1)Nc1cccc([N+](=O)[O-])c1	3229709	VAZOCERXUAXWJG-VOTSOKGWSA-N	316.269	2.383	5	40	DEBB	
CO/C=C1/CCCCn2c1nc(=O)c1cc([N+](=O)[O-])ccc12	3227015	GCEIHTRBNVJKBP-KTKRTIGZSA-N	301.302	2.476	5	40	DEBB	
CC(C)(C)NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	3389878	INHOZFIHVBBNPN-RMKNXTFCSA-N	306.318	2.066	5	40	DEBB	
CC(C)(C)C(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	8133056	KLNDVGSHHPPNFA-UHFFFAOYSA-N	323.301	2.138	5	40	DEBB	
CC[C@H](C)[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	96487406	WYXFOVNRPRWGQZ-QPUJVOFHSA-N	300.742	2.385	5	40	DEBB	
CN1CCN(c2ccc([N+](=O)[O-])c(N3CC[C@H](CF)C3)c2)CC1	1776011127	RGRBASYKEDQAIG-CYBMUJFWSA-N	322.384	2.142	5	40	DEBB	
Cc1ccsc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	85324900	SMZOQDVOXGNVTI-UKRRQHHQSA-N	322.386	2.149	5	40	DEBB	
Cc1nc(NC(=O)c2cc(C(C)C)nn2C)ccc1[N+](=O)[O-]	84028810	ZKWHFMYZCHRABR-UHFFFAOYSA-N	303.322	2.407	5	40	DEBB	
CC(C)C1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1	97115376	FMXBAFBPLXDVIN-UHFFFAOYSA-N	313.379	2.090	5	40	DEBB	
Cc1nc(C)c(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)o1	95441636	PPBJTJXZMFSUAY-UHFFFAOYSA-N	301.302	2.398	5	40	DEBB	
Nc1nc(N2CCCCCC2)nc(N2CCCCC2)c1[N+](=O)[O-]	4305982	NUDQWUATNHFNMK-UHFFFAOYSA-N	320.397	2.338	5	40	DEBB	
COCCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	409246101	DXFDHYNZUQIPIQ-VQHVLOKHSA-N	312.303	2.261	5	40	DEBB	
CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1	71894552	ILLSIIVHFYOOJM-SNVBAGLBSA-N	308.338	2.411	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])[C@H]1C=C[C@H]2CC1	409183503	UJSNDFRHLDJQKF-WBRVRECLSA-N	316.288	2.436	5	40	DEBB	
O=C(O)[C@@H](c1ccc([N+](=O)[O-])cc1)[S@](=O)Cc1ccco1	77028701	DNKPBQVNNBANEQ-GTJPDFRWSA-N	309.299	2.262	5	40	DEBB	in-vitro
C[C@@H]1C[C@@H](OC[C@@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1	13306586	FDQUJFFWDKRYJR-OWCLPIDISA-N	300.463	2.056	5	40	DEBB	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc(F)c(F)c1	15611643	HQQKVLLHFLKZFG-SSDOTTSWSA-N	323.255	2.052	5	40	DEBB	
NC(=O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7984492	GAYVHOLGKQOANK-VIFPVBQESA-N	303.240	2.068	5	40	DEBB	
CC(C)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	17116655	MAMDLMLRQJWHJP-UHFFFAOYSA-N	306.366	2.082	5	40	DEBB	
CN(Cc1ccc([S@](C)=O)cc1)c1ccc([N+](=O)[O-])nc1	89356114	SGFRBVACXWDEHU-OAQYLSRUSA-N	305.359	2.364	5	40	DEBB	
Cc1cnc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1	78737178	SVCLYFJPXSFZEW-UHFFFAOYSA-N	317.323	2.300	5	40	DEBB	
N[C@H](CCCCNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O	59382386	GNTBZRNFSIHJRL-SECBINFHSA-N	301.730	2.242	5	40	DEBB	
CCOc1cc(CO)ccc1OCCn1c([N+](=O)[O-])cnc1C	8709911	NGEJVLMEZBLPCC-UHFFFAOYSA-N	321.333	2.070	5	40	DEBB	
CCCN(CC1CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	6881724	KZOHYFARCSAXTH-OAHLLOKOSA-N	308.378	2.457	5	40	DEBB	
Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)cc1[N+](=O)[O-]	7059224	RTDXHTABCBVBJB-NSHDSACASA-N	321.358	2.338	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)NC2=O)o1	408917168	ODSADOOBHDRIHO-KPKJPENVSA-N	313.269	2.344	5	40	DEBB	
O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nncs1	5758814	CDYHJZHMUAXOID-JTQLQIEISA-N	308.344	2.225	5	40	DEBB	
O=C1C[C@H]([C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc21	5892162	FTUCCNRWNKIWOO-SJCJKPOMSA-N	324.292	2.105	5	40	DEBB	
O=C(Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cnccn1	6382953	IBWXNRCQUBCBTN-UHFFFAOYSA-N	301.287	2.194	5	40	DEBB	
COCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1	45913767	FTEMBHKARUEWHQ-UHFFFAOYSA-N	320.301	2.143	5	40	DEBB	
CC[C@H](C(=O)Nc1cc(C)on1)n1nc(C)c([N+](=O)[O-])c1C	14019209	QZLZXCRAUOZPGR-SNVBAGLBSA-N	307.310	2.294	5	40	DEBB	
CCOC(=O)/C(CC)=C(/C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	19720398	KPECZIGQNTYJBH-SZGZABIGSA-N	322.361	2.465	5	40	DEBB	
CC(C)NC(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1	9314653	QFUKTFXEQSDVHU-LBPRGKRZSA-N	307.350	2.324	5	40	DEBB	
CCS(=O)(=O)[C@](C)(Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1	96520394	YWDMWLXRXDQEGY-QWRGUYRKSA-N	307.755	2.018	5	40	DEBB	
O=C1C[C@@H]([C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc21	5892161	FTUCCNRWNKIWOO-PXAZEXFGSA-N	324.292	2.105	5	40	DEBB	
CN(C)c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	2057741	FXEGPXLJCYIWQI-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1	6402492	DTXILROAQMVNOG-UHFFFAOYSA-N	302.309	2.456	5	40	DEBB	
CCc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)o1	71910624	JPGLUCPAXWSUKA-JTQLQIEISA-N	303.322	2.464	5	40	DEBB	
O=C(Nc1cnn(CC(F)F)c1)c1ccc([N+](=O)[O-])c(O)c1	72294979	YZDKRNFUGIFFAF-UHFFFAOYSA-N	312.232	2.014	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CCN(C)C	95945712	IBDQCPDUGSPWQI-JTQLQIEISA-N	310.354	2.065	5	40	DEBB	
C[C@](O)(CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccs1	96450343	GMFFVQGDGBEYGQ-AWEZNQCLSA-N	324.333	2.433	5	40	DEBB	
Cc1nn(C)c(C)c1CC(=O)Nc1cccc([N+](=O)[O-])c1C	24749657	CIYDKAYBRQXRMZ-UHFFFAOYSA-N	302.334	2.435	5	40	DEBB	
CN(CC1CC1)C(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2	55521380	ZOKMSZYQHRUWRO-SNAWJCMRSA-N	318.329	2.343	5	40	DEBB	
O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2cccs2)cc1	32804260	CHXUKQMBDNZYMA-UHFFFAOYSA-N	312.372	2.276	5	40	DEBB	
CCCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCOC	2357702	XCJXCEWCLLPSKP-UHFFFAOYSA-N	314.341	2.102	5	40	DEBB	
CC(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	4901500	JNBFSYVGHCVDEP-UHFFFAOYSA-N	321.377	2.207	5	40	DEBB	
COC(=O)c1ccc(NCCNc2ccccn2)c([N+](=O)[O-])c1	9314760	HRWQPAGPBKNKLO-UHFFFAOYSA-N	316.317	2.300	5	40	DEBB	
CCOCC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1	71904338	NLGZWQJAJHUPCH-UHFFFAOYSA-N	321.377	2.282	5	40	DEBB	
C[C@H]1Oc2ccc([N+](=O)[O-])nc2N(Cc2ccc(F)cc2)C1=O	94988200	KEFKBIBCCBKVDA-SECBINFHSA-N	317.276	2.443	5	40	DEBB	
CCC(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl	45891913	PKFJXUPRQFFVOT-UHFFFAOYSA-N	313.741	2.433	5	40	DEBB	
Cc1noc(C)c1CN1C(=O)COc2c1cccc2[N+](=O)[O-]	94992581	MPJWTLMHANKJKJ-UHFFFAOYSA-N	303.274	2.125	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	101616003	STBDLLKQQLGKQE-SQNXGDPESA-N	306.366	2.041	5	40	DEBB	
Nc1nc(NC2CCCCC2)nc(N2CCCC2)c1[N+](=O)[O-]	4306209	FKIMCXLOCJZFIS-UHFFFAOYSA-N	306.370	2.312	5	40	DEBB	
O=C(CNc1ccccc1[N+](=O)[O-])N1CCOc2ccccc21	65522262	BOWXRCFMALBSQZ-UHFFFAOYSA-N	313.313	2.432	5	40	DEBB	
COc1ccccc1Oc1nc2ccccn2c(=O)c1[N+](=O)[O-]	71795953	UVZCKTQNUZDAPT-UHFFFAOYSA-N	313.269	2.404	5	40	DEBB	
CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2C[C@@H](C)OC2=O)c1	32842868	JKZVGXAVZSKYFG-RDDDGLTNSA-N	311.315	2.178	5	40	DEBB	
COc1cccc(NC(=O)COc2cccnc2[N+](=O)[O-])c1	2616259	XNBVKGOXPMXJQO-UHFFFAOYSA-N	303.274	2.016	5	40	DEBB	
O=Cc1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1	23222114	QNTKIAPDTUKOGS-UHFFFAOYSA-N	300.270	2.425	5	40	DEBB	
Cc1ccccc1CC(C)(C)NC(=O)Cn1ccc([N+](=O)[O-])n1	69380819	GVVXVFDJUXDHNA-UHFFFAOYSA-N	316.361	2.237	5	40	DEBB	
Cc1c(C(=O)N[C@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-]	31592018	KJDWZCFVLSSLMR-ZDUSSCGKSA-N	314.345	2.444	5	40	DEBB	
CN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1	7780014	KEVVAMUDSBBEGP-UHFFFAOYSA-N	313.379	2.011	5	40	DEBB	
C[C@@H](NC(=O)CN1CCc2cc([N+](=O)[O-])ccc21)c1ccco1	25612053	OSBXBOAQAVTPKN-LLVKDONJSA-N	315.329	2.428	5	40	DEBB	
Cc1nn(CC(=O)NCc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-]	3367814	CAEHWRCESZIGKZ-UHFFFAOYSA-N	322.752	2.378	5	40	DEBB	
O=[N+]([O-])c1cc(Br)ccc1OC[C@H]1CCNC1	42771394	KQIGLTKSTLEZIW-QMMMGPOBSA-N	301.140	2.346	5	40	DEBB	
C[C@H](C[S@](C)=O)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	135758635	ADYOCNATSUHJKW-ZPWHCFADSA-N	318.782	2.087	5	40	DEBB	
O=[N+]([O-])c1cccc(F)c1N1CCN(c2ccccn2)CC1	258834436	PBLBQJIOJMHZDE-UHFFFAOYSA-N	302.309	2.456	5	40	DEBB	
C[C@H](C1CC1)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	78723325	AITKGEDEWDUMQC-LLVKDONJSA-N	303.362	2.214	5	40	DEBB	
O=[N+]([O-])c1cccnc1NCCc1ccc2c(c1)OCCO2	23625254	LHVZYROHPPKNPE-UHFFFAOYSA-N	301.302	2.416	5	40	DEBB	
O=[N+]([O-])c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1	4004759	XJKCCKLAONFMIX-UHFFFAOYSA-N	303.299	2.156	5	40	DEBB	
COCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[C@@H](C)C1	225392027	OUBAZAYDSCABNL-NEPJUHHUSA-N	321.377	2.454	5	40	DEBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCC[C@@H]1N	96461354	XFUNPXPJAGYWHA-KBPBESRZSA-N	305.378	2.461	5	40	DEBB	
Cc1cnc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1	96448227	BDTISTVDOBLUCX-NWDGAFQWSA-N	307.350	2.372	5	40	DEBB	
Cc1nn(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1[N+](=O)[O-]	101157512	ONTOEUISULMAAH-IGJVIKARSA-N	320.393	2.349	5	40	DEBB	
COc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	2774461	HWFOBCZTZJZZBK-UHFFFAOYSA-N	300.314	2.462	5	40	DEBB	
Cn1/c(=N\C(=O)c2ccc([N+](=O)[O-])o2)sc2ccccc21	100878941	RTMPNWWZBLFQAO-BUHFOSPRSA-N	303.299	2.482	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCc1ccnn1C	97145846	OHTTZMNXDZAPPD-UHFFFAOYSA-N	317.349	2.309	5	40	DEBB	
C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)O1	15254545	YLDLZTCGNCUSOC-GHMZBOCLSA-N	308.334	2.071	5	40	DEBB	
COC(=O)c1ccc(Cl)c(Cn2cc([N+](=O)[O-])ccc2=O)c1	97080523	YWWBCJRXLBWOKL-UHFFFAOYSA-N	322.704	2.245	5	40	DEBB	
CNC(=O)c1ccc(N[C@H](C)c2cn(C)nc2C)c([N+](=O)[O-])c1	71904211	PUGSLSBJYCOSLB-SECBINFHSA-N	317.349	2.169	5	40	DEBB	
CCOC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	367992	VXEWNECWUFBEHZ-UHFFFAOYSA-N	309.303	2.300	5	40	DEBB	
O=C(NO[C@@H]1CCCCO1)c1ccc(Cl)cc1[N+](=O)[O-]	72058645	PCCKVOCCPPFGCC-LLVKDONJSA-N	300.698	2.436	5	40	DEBB	
NC(=O)c1cccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1	88605674	NJLAXCFLYHRYAY-UHFFFAOYSA-N	311.341	2.252	5	40	DEBB	
O=[N+]([O-])c1ccnn1Cc1nc2cc(Br)ccc2[nH]1	195562326	NPMOLOJHZAMIMP-UHFFFAOYSA-N	322.122	2.478	5	40	DEBB	
Cn1ncc2c1CCC[C@H]2NC(=O)c1ccccc1[N+](=O)[O-]	31540519	YBFTURQVCXZHLG-GFCCVEGCSA-N	300.318	2.136	5	40	DEBB	
COc1cc(C(=O)Nc2ccncc2)c([N+](=O)[O-])cc1OC	263461	WGRHNNLJXVMOLO-UHFFFAOYSA-N	303.274	2.259	5	40	DEBB	
CCOc1cccc(N2CCC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-]	97108546	WVOMESMLLIYIRJ-NSHDSACASA-N	307.350	2.085	5	40	DEBB	
C[C@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1	12620619	NELWIEWNKRGBRE-GRYCIOLGSA-N	307.350	2.031	5	40	DEBB	
Nc1ccc([N+](=O)[O-])cc1C(O)(C(F)(F)F)C(F)(F)F	5011272	VMDUWKUTLXRQPK-UHFFFAOYSA-N	304.146	2.489	5	40	DEBB	
Cc1ccc(-c2nn3c(nc4nc5nonc5nc43)s2)cc1	3173884	BVBPFOYDQMINDV-UHFFFAOYSA-N	309.314	2.246	5	40	DEBB	
COc1cc([C@@H]2NC(=O)c3ccccc3N2)c([N+](=O)[O-])cc1O	9322682	AZHDAEKGIUJFPT-AWEZNQCLSA-N	315.285	2.163	5	40	DEBB	
O=C(O)Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	75285828	FQMUSICIBPRWCL-UHFFFAOYSA-N	314.297	2.403	5	40	DEBB	
CC(C)Oc1cccc([C@@H](O)CNc2c([N+](=O)[O-])ncn2C)c1	96408684	OTYVIEWJGAIECT-ZDUSSCGKSA-N	320.349	2.261	5	40	DEBB	
C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)O1	15254552	YLDLZTCGNCUSOC-PHIMTYICSA-N	308.334	2.071	5	40	DEBB	
CN(CC(=O)Nc1cc(F)cc(F)c1)c1ncccc1[N+](=O)[O-]	69557956	JEVIOZMFVZMFGD-UHFFFAOYSA-N	322.271	2.343	5	40	DEBB	
Cc1ccsc1CN[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	85324897	SMZOQDVOXGNVTI-DZGCQCFKSA-N	322.386	2.149	5	40	DEBB	
CCc1ccc(C(=O)NCc2nc(C3CC3)no2)cc1[N+](=O)[O-]	96445007	PVBQXRPDUIZKLH-UHFFFAOYSA-N	316.317	2.348	5	40	DEBB	
COc1cc(C(=O)Nc2nccs2)c([N+](=O)[O-])cc1OC	3421933	YBNGUYZQLAJTCK-UHFFFAOYSA-N	309.303	2.321	5	40	DEBB	
C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	71857396	FVQFTBATOCROEI-GXSJLCMTSA-N	312.297	2.257	5	40	DEBB	
NC(=O)COc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1	301056389	AVTNMIABYYXPKM-UHFFFAOYSA-N	301.302	2.071	5	40	DEBB	
O[C@H]1c2c(cc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@H](O)[C@H]1O	5845893	KWFVZAJQUSRMCC-FYQPLNBISA-N	320.344	2.386	5	40	DEBB	
COC(=O)c1cc(C(=O)NC(C2CC2)C2CC2)cc([N+](=O)[O-])c1	30800447	MMPKXZUUUXVQOM-UHFFFAOYSA-N	318.329	2.300	5	40	DEBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccn1	25320825	WJFYKFVKDFCROK-UHFFFAOYSA-N	316.317	2.300	5	40	DEBB	
COC(=O)N[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C	71888780	YAIHJTMQGBONJU-GWCFXTLKSA-N	323.349	2.153	5	40	DEBB	
CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)c2cccnc2N1	71186340	UPWHIHBJPNDGGD-CQSZACIVSA-N	314.301	2.243	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N1CCC(Cc2cccnc2)CC1	95458000	KNUJQIUMXLZDNA-UHFFFAOYSA-N	301.350	2.182	5	40	DEBB	
Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccn1	75610754	LDWZUUSSGZMGHG-UHFFFAOYSA-N	307.331	2.407	5	40	DEBB	
COc1cc(F)cc(NCCn2cc([N+](=O)[O-])ccc2=O)c1	97375765	HNTRPWWILSIEOK-UHFFFAOYSA-N	307.281	2.016	5	40	DEBB	
Cc1ncc([N+](=O)[O-])n1CC1CCN(C(=O)C(C)(C)C)CC1	97377188	IMFHMIYVSKTGOO-UHFFFAOYSA-N	308.382	2.384	5	40	DEBB	
O=C(c1ccccc1)c1ccc(N2CC[C@H](O)C2)c([N+](=O)[O-])c1	65610158	LKUNBIMOUUCDCW-AWEZNQCLSA-N	312.325	2.397	5	40	DEBB	
O=[N+]([O-])c1cccc(CSc2nc(O)c3c[nH]nc3n2)c1	18164125	ZTGLRDPFJZWPIM-UHFFFAOYSA-N	303.303	2.259	5	40	DEBB	
O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2C=C[C@H]1C2	100537332	XXEUORHXHOMNOK-VDUILEQBSA-N	302.286	2.056	5	40	DEBB	
Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1cccc2ccccc12	263887	OWBHDSBVELLQFD-UHFFFAOYSA-N	317.326	2.490	5	40	DEBB	
Cc1n[nH]c2ncc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc12	58202319	CVKPYYKJKOFBFC-UHFFFAOYSA-N	311.301	2.105	5	40	DEBB	
CN(C)c1ncccc1NC(=O)c1ccnc(Cl)c1[N+](=O)[O-]	71916484	XJYNBUOCWLTEFD-UHFFFAOYSA-N	321.724	2.357	5	40	DEBB	
C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)Oc1nonc1N	45206861	QBJJZLNSZKFGAT-ZCFIWIBFSA-N	313.701	2.093	5	40	DEBB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCOCC1	5003385	AFBPXWUCOGYWBU-BRSBDYLESA-N	314.490	2.302	5	40	DEBB	
CCOCC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	6988760	PXZHFYAGCQCXNW-VIFPVBQESA-N	321.289	2.286	5	40	DEBB	
CCN(CC)[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1	76086447	PEUNLRGHCCAQBQ-HNNXBMFYSA-N	320.393	2.221	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)s1	63186811	BEMGEIAKTYVJIN-MNOVXSKESA-N	324.383	2.491	5	40	DEBB	
COc1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])cc1	18075354	XBZUVVLCVNTPRN-UHFFFAOYSA-N	316.313	2.412	5	40	DEBB	
C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc(F)c(F)c1	15611644	HQQKVLLHFLKZFG-ZETCQYMHSA-N	323.255	2.052	5	40	DEBB	
C[C@@H](CN1CCOCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1	76776459	NDAOWDQZFRGFJP-LBPRGKRZSA-N	316.361	2.276	5	40	DEBB	
O=C1COc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2N1	12083404	YMAVCHMFLCRFKD-UHFFFAOYSA-N	313.269	2.178	5	40	DEBB	
Cc1nn(CC(=O)NCCC2=CCCCC2)c(C)c1[N+](=O)[O-]	8232675	JCQWIPGKVMUJJZ-UHFFFAOYSA-N	306.366	2.415	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c([N+](=O)[O-])c1	100179684	BXVIFRVMCZKCFS-ARMQCYDYSA-N	324.336	2.461	5	40	DEBB	
C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2	100374234	PIPAJLPNWZMYQA-YQQAZPJKSA-N	304.410	2.076	5	40	DEBB	biogenic,in-vitro
CCn1c(C)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1	109199176	NQTHWNOQYJBOAQ-UHFFFAOYSA-N	306.347	2.490	5	40	DEBB	
C[C@@H]1CN(C(C)(C)CNc2ncccc2[N+](=O)[O-])C[C@@H](C)O1	28936725	AEMACSOUEDFOML-VXGBXAGGSA-N	308.382	2.290	5	40	DEBB	
O=C(COC(=O)Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1	5078654	JTYBDRABHNCQRC-UHFFFAOYSA-N	320.326	2.381	5	40	DEBB	
Cc1cc2c(=O)[nH]c(Cc3ccc([N+](=O)[O-])cn3)nc2s1	96001602	YMUKRZCYSADAIG-UHFFFAOYSA-N	302.315	2.187	5	40	DEBB	
O=C(c1n[nH]c2ccccc12)N1CCc2ncc([N+](=O)[O-])cc2C1	95992868	SUHLQTIGLDVWKB-UHFFFAOYSA-N	323.312	2.065	5	40	DEBB	
O=C(NCC(=O)N1CCCCCCC1)c1cccc([N+](=O)[O-])c1	9956838	RAIGCHIOCOOYAE-UHFFFAOYSA-N	319.361	2.117	5	40	DEBB	
Cc1cc(C(=O)NCCN2CCC(C)CC2)ccc1[N+](=O)[O-]	40108871	JJGRIAJKCHDEEH-UHFFFAOYSA-N	305.378	2.365	5	40	DEBB	
C[C@H]1c2cc(F)ccc2CCN1C(=O)c1n[nH]cc1[N+](=O)[O-]	195547509	SOWSTLSMSAFRKX-QMMMGPOBSA-N	304.281	2.217	5	40	DEBB	
C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	4806531	SHYQJOLAKCOEJA-IONNQARKSA-N	312.709	2.386	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@@H]2C12CC2	4199650	FOISCOGVUGBTCW-CRWXNKLISA-N	310.309	2.296	5	40	DEBB	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1-c1ccccc1	48356303	VTYDRNJOSXIWQX-UHFFFAOYSA-N	323.312	2.492	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccnc1	8288837	NGCBEOMKRIELAP-UHFFFAOYSA-N	315.285	2.094	5	40	DEBB	
O=C(NCc1ccccc1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	25052116	XVBJTFVCJPYYFV-HNNXBMFYSA-N	315.329	2.128	5	40	DEBB	
CC(C)CCNC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-]	4549282	CDDSMKWMYZQMHQ-UHFFFAOYSA-N	307.350	2.476	5	40	DEBB	
CN(C)C(=S)SCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	6605190	RLUQUMKISSOKSD-UHFFFAOYSA-N	317.367	2.252	5	40	DEBB	
C[C@H]1CC[C@@H](C)N1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	96501999	NMFBACPTOZQYFO-TXEJJXNPSA-N	312.391	2.241	5	40	DEBB	
Cc1cc(Oc2cc(N(C)C)ccc2[N+](=O)[O-])n2ncnc2n1	96449453	DOTSGWXNQVMZNO-UHFFFAOYSA-N	314.305	2.199	5	40	DEBB	
CCONC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	24663808	NWWHGZJKFNUCEP-HIFRSBDPSA-N	319.361	2.194	5	40	DEBB	
C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1	5044578	FPNNTVXMNMFHKD-JTQLQIEISA-N	306.318	2.199	5	40	DEBB	
Cc1cccc(OC[C@H](O)CNc2ccc([N+](=O)[O-])cn2)c1	58434495	AQIRMTLRXCOJJW-CYBMUJFWSA-N	303.318	2.150	5	40	DEBB	
CCc1cc(NC[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1	71186244	NOPARAIOTPVGGA-SNVBAGLBSA-N	302.334	2.407	5	40	DEBB	
O=c1[nH]c2cc([N+](=O)[O-])c(Nc3ccccc3)c([N+](=O)[O-])c2[nH]1	5390992	FPOLCKDXGIACSF-UHFFFAOYSA-N	315.245	2.416	5	40	DEBB	
O=C([C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)N1CCCC1	71898306	JEECIMFBHCKHHM-CYBMUJFWSA-N	323.418	2.491	5	40	DEBB	
Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2ccccc21	16005016	RTMPNWWZBLFQAO-YPKPFQOOSA-N	303.299	2.482	5	40	DEBB	
CCO[C@@H](c1cccnc1)c1[nH]c(C(=O)O)c([N+](=O)[O-])c1C	12618099	AVSJPHOPMFPNPM-ZDUSSCGKSA-N	305.290	2.450	5	40	DEBB	
C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	3312319	IDZAKSMNDYVMSB-ZJUUUORDSA-N	310.306	2.040	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccncc2)c(Cl)c1	72275624	UZHQULNILXTQHI-UHFFFAOYSA-N	313.722	2.444	5	40	DEBB	
CC(C)(Br)C(=O)Nc1c(O)cccc1[N+](=O)[O-]	71405345	GMXIEOQTLJJZOZ-UHFFFAOYSA-N	303.112	2.412	5	40	DEBB	
O=C1[C@H](n2cc([N+](=O)[O-])cn2)CCN1c1cccc(Cl)c1	97048010	PMUKCTYKUJKFBO-GFCCVEGCSA-N	306.709	2.423	5	40	DEBB	
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc([N+](=O)[O-])c1	35944138	OQTYOPJBECVUEO-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
CCO[C@@H]1C[C@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])C12CCCC2	96432536	BALCZVXQXODFBZ-WDEREUQCSA-N	322.365	2.094	5	40	DEBB	
CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1	45778627	XEMSGDLDQFAPDL-NSHDSACASA-N	321.333	2.402	5	40	DEBB	
Cc1ccc(NC(=O)CCn2ccccc2=O)cc1[N+](=O)[O-]	32831017	RHZQCAUMPMUHQF-UHFFFAOYSA-N	301.302	2.094	5	40	DEBB	
CCOC(=O)c1c(N)n(-c2ccc([N+](=O)[O-])cc2)[nH]c1=S	6463801	NGYRXKOYVCUVBR-UHFFFAOYSA-N	308.319	2.202	5	40	DEBB	
COC(=O)[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1[N+]2(C)C	100649843	NRJDVMYLISHSNW-FPCVCCKLSA-N	318.393	2.012	5	40	DEBB	
CC1CCN(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1	10540317	ATRTUAHEFNILLO-UHFFFAOYSA-N	319.405	2.376	5	40	DEBB	
C[C@H](CCc1ccco1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	9389920	OZCHOBXBHXSBRG-LLVKDONJSA-N	324.358	2.487	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Nc2cccnc2)CC1	68338703	OZFBVSOOFXQCIV-UHFFFAOYSA-N	316.317	2.300	5	40	DEBB	
CN1CCC(N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1	69780041	GIYLMNSCTSWTBF-GQCTYLIASA-N	321.352	2.300	5	40	DEBB	
CCOc1cccc(N2CC[S@@](=O)C(C)(C)C2)c1[N+](=O)[O-]	95941138	FVMWQDWCMQIKEA-NRFANRHFSA-N	312.391	2.341	5	40	DEBB	
CC(=O)c1c(C)c(Br)c(N)c(C(=O)O)c1[N+](=O)[O-]	95933108	JHEAAISOQKTQRA-UHFFFAOYSA-N	317.095	2.149	5	40	DEBB	
CCCn1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1C	5271657	KOQBVGWRRCLTNB-UHFFFAOYSA-N	317.345	2.468	5	40	DEBB	
Cc1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-]	102022543	XYJSDOXPNUCXNL-CQSZACIVSA-N	316.361	2.381	5	40	DEBB	
COc1ccc(Oc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1	3449455	NYKJJAKGFJZMOL-UHFFFAOYSA-N	313.273	2.371	5	40	DEBB	
NC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc1	16743696	JZTVBFBIPCUNOF-UHFFFAOYSA-N	300.270	2.051	5	40	DEBB	
Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](O)C2)cc1[N+](=O)[O-]	84190178	KANCWFCOBNBQHL-AAEUAGOBSA-N	307.350	2.131	5	40	DEBB	
C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1	95417782	AZYKOCRDTNBZMY-JQWIXIFHSA-N	304.302	2.430	5	40	DEBB	
CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+](C)(C)C)cc1	41690077	VSOWAMGNCDSAJF-INIZCTEOSA-N	310.458	2.447	5	40	DEBB	
COCCn1/c(=N/C(=O)C2CC2)sc2cc([N+](=O)[O-])ccc21	100872703	KPOQOEOOYXJZGP-PFONDFGASA-N	321.358	2.095	5	40	DEBB	
Cc1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)c([N+](=O)[O-])n1	12645071	OXMLUHIPVULNRE-TXEJJXNPSA-N	307.350	2.467	5	40	DEBB	
NC(=O)c1ccc(Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	5858703	SESWBWTYROMOCX-UHFFFAOYSA-N	301.258	2.166	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nncn1C(C)C	71896265	QMEYMBBYGIMTJS-UHFFFAOYSA-N	317.349	2.048	5	40	DEBB	
C[C@H](CN1CCOCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1	76776460	NDAOWDQZFRGFJP-GFCCVEGCSA-N	316.361	2.276	5	40	DEBB	
COc1ccc2c(c1)CN(c1c([N+](=O)[O-])nc(C)n1C)CC2	50931125	JPCXPTCMIMTNRD-UHFFFAOYSA-N	302.334	2.208	5	40	DEBB	
C[C@@H]1C[C@@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1	46839126	YNSREOGESUZDSN-KCJUWKMLSA-N	303.274	2.344	5	40	DEBB	
Cc1nn(C)c(C)c1CC(=O)N(C)Cc1cccc([N+](=O)[O-])c1	25255566	BXCGRFLTZMCLNW-UHFFFAOYSA-N	316.361	2.146	5	40	DEBB	
Cc1cc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)no1	1429850	KGDMONRQCIOMSX-UHFFFAOYSA-N	307.310	2.123	5	40	DEBB	
CC(C)Oc1ccccc1/C=C\c1nc(O)[nH]c(=O)c1[N+](=O)[O-]	33926859	SFUMQATXHJYLLQ-FPLPWBNLSA-N	317.301	2.341	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1C[C@H]1C	6639633	AWZKDCNWIIUGSG-YWVKMMECSA-N	322.317	2.130	5	40	DEBB	
O=C(NO[C@@H]1CCCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	58416110	QZOXYRCNJRIPCI-CQSZACIVSA-N	321.333	2.357	5	40	DEBB	
Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	12770171	XVHYVIABWRIXRO-UHFFFAOYSA-N	306.343	2.382	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])c(N2CCCCC2)c([N+](=O)[O-])c1	4018205	BLOZAQDHRPWQOI-UHFFFAOYSA-N	309.278	2.280	5	40	DEBB	
CC(C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	66248375	IQJDHJFKEQWXES-UHFFFAOYSA-N	310.335	2.173	5	40	DEBB	
CC(C)c1nc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n(C)n1	78912827	JXGLRMRIYKLODK-UHFFFAOYSA-N	307.285	2.238	5	40	DEBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1	4565338	SXDUJAIRFVRABP-UHFFFAOYSA-N	316.722	2.320	5	40	DEBB	
O=[N+]([O-])c1ccc([C@H](O)CNc2ncccc2[N+](=O)[O-])cc1	21363838	GWUSQXINPDIDSS-GFCCVEGCSA-N	304.262	2.044	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ncccn1	3442738	ZECAFRDASZWFTH-UHFFFAOYSA-N	320.330	2.124	5	40	DEBB	
O=C1CN(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc2N1	44399228	DMKPVOKTPLHQSV-UHFFFAOYSA-N	303.299	2.255	5	40	DEBB	
CCOC(=O)c1cc(C(=O)Nc2cc(C)on2)cc([N+](=O)[O-])c1	10029755	SHWQQYGFKNIZSE-UHFFFAOYSA-N	319.273	2.320	5	40	DEBB	
O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)CCC3CC3)c2c1	97140327	ADRLBNMJHQUDSH-UHFFFAOYSA-N	310.335	2.013	5	40	DEBB	
CC[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O)N(C)C	95939392	JOQARDPBHZHMDD-SECBINFHSA-N	301.730	2.233	5	40	DEBB	
CC(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	25327816	XTUAHXZQCXJZMI-UHFFFAOYSA-N	313.313	2.483	5	40	DEBB	
Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)c2ncccc2c1	92506338	PDTMMLFNSIQSBV-UHFFFAOYSA-N	311.301	2.437	5	40	DEBB	
O=C(COc1cc(C(=O)O)ccc1[N+](=O)[O-])Nc1ccccc1	13187157	GJXZLXIAZXATJQ-UHFFFAOYSA-N	316.269	2.311	5	40	DEBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)O)c1	6222487	WRTJOFQDDMHIAO-UHFFFAOYSA-N	316.269	2.311	5	40	DEBB	
COc1ccc(NC(=S)NC(=O)CC(C)C)cc1[N+](=O)[O-]	9064282	PINKUVMFXZKVNV-UHFFFAOYSA-N	311.363	2.463	5	40	DEBB	
C[C@H]1CNCCN1c1ccc(Br)cc1[N+](=O)[O-]	54375155	TZORVANCTACDBO-QMMMGPOBSA-N	300.156	2.155	5	40	DEBB	
CC(=O)c1ccc(NCCCc2n[nH]c(C)n2)c([N+](=O)[O-])c1	72307667	KPDDUYOSECWZCZ-UHFFFAOYSA-N	303.322	2.269	5	40	DEBB	
COc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(OC)c1	4614860	KZHZSASVRHYBPN-UHFFFAOYSA-N	309.303	2.321	5	40	DEBB	
CN(C1CCCCC1)S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1	29944000	KALZATGXPUFPQZ-UHFFFAOYSA-N	314.363	2.483	5	40	DEBB	
Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	100220054	QXUCKAQNPSJPTF-NQBHXWOUSA-N	310.375	2.370	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1ccc(O)cc1	2794762	HDHZZYSYXNVQGM-VIFPVBQESA-N	304.306	2.080	5	40	DEBB	
Cn1cccc1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1	97144185	MWHHXLXZDCNOGG-HNNXBMFYSA-N	315.329	2.147	5	40	DEBB	
Cc1c(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-]	71904643	QLZKXELTOPYTGQ-VXGBXAGGSA-N	314.407	2.157	5	40	DEBB	
Cc1ccnc(NCCCc2nnc3ccccn23)c1[N+](=O)[O-]	80609271	ZGQLIVPPGXOZJF-UHFFFAOYSA-N	312.333	2.386	5	40	DEBB	
CCOC(=O)[C@@H](F)[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1	585142596	ZLPZKTVLPICYKI-MNOVXSKESA-N	311.313	2.026	5	40	DEBB	
Cc1c([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nn1C	102596308	FNGDPHYAAHYWBE-VGDYDELISA-N	306.366	2.191	5	40	DEBB	
C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)C1	3312281	XRYRZSHBFVKDJG-RYUDHWBXSA-N	320.345	2.256	5	40	DEBB	
O=C1NCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12	68320501	WYYSOPDDNIZXGB-ZDUSSCGKSA-N	300.318	2.224	5	40	DEBB	
O=[N+]([O-])c1cccc(-c2ncn(Cc3nnsc3Cl)n2)c1	69950321	VVIQYTGJAGSJDD-UHFFFAOYSA-N	322.737	2.407	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1nnc2n1CCCCC2	72334111	PWQFROXSLPMFLZ-JTQLQIEISA-N	304.354	2.221	5	40	DEBB	
Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1ccnc1	97375365	ZSPJYVXIBHHSBH-UHFFFAOYSA-N	324.300	2.010	5	40	DEBB	
CCCCC(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	5781329	HRCUTTWOKHWTTB-UHFFFAOYSA-N	310.306	2.275	5	40	DEBB	
O=[N+]([O-])c1ccc(CSc2nnc3nc(O)ccn23)cc1	4249817	AUWJQRYGWUDGPO-UHFFFAOYSA-N	303.303	2.030	5	40	DEBB	
CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnc(C)cn1	40512615	YUOAFSNYIBARLB-UHFFFAOYSA-N	300.318	2.356	5	40	DEBB	
CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1	6419368	DNPOGIMHNMTPNL-UHFFFAOYSA-N	308.319	2.271	5	40	DEBB	
O=C(Nc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])cc1	23170538	LMJDZBCOVCANCU-UHFFFAOYSA-N	309.285	2.428	5	40	DEBB	
O=C1N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)Nc2ccccc21	3101976	SXIBLNKBKRTAQG-AWEZNQCLSA-N	313.269	2.178	5	40	DEBB	
CCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1nccn1C	58281627	OXPNUVBKPYSJFD-JLHYYAGUSA-N	301.302	2.432	5	40	DEBB	
Fc1cc(Br)ccc1C[N+]12CCN(CC1)CC2	6657344	OXNBFVSDBYQTBT-UHFFFAOYSA-N	300.195	2.234	5	40	DEBB	
Cn1cc(CCOC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])cn1	69972059	PZAFYMBKTVGHPL-HWKANZROSA-N	319.292	2.267	5	40	DEBB	
Cc1[nH]nc(C(=O)NCC(C)(C)c2cccs2)c1[N+](=O)[O-]	72284911	DPYYCNBWECZDCN-UHFFFAOYSA-N	308.363	2.395	5	40	DEBB	
COC(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@H]1N1CCCCC1	19904348	YSDZQYUIYMLQBR-OAHLLOKOSA-N	318.329	2.356	5	40	DEBB	
O=[N+]([O-])/N=c1\nc2scc(-c3ccc([N+](=O)[O-])cc3)n2s1	1608252	CZFICIFVDDYEPV-FMIVXFBMSA-N	323.315	2.125	5	40	DEBB	
CC(=O)c1cccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)c1	1423690	LURRMMAFELSBRK-VIFPVBQESA-N	302.290	2.194	5	40	DEBB	
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CCC2)C1	96009765	LYRFGSZCOHWPKU-ZDUSSCGKSA-N	306.362	2.211	5	40	DEBB	
CCc1nc(S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O)n[nH]1	213398439	ZFACCMUNTVDEKW-YFHOEESVSA-N	320.330	2.493	5	40	DEBB	
COc1cc(N2CCN(C(=O)C3CCC3)CC2)ccc1[N+](=O)[O-]	96429393	CIQWJTGYYUNJTL-UHFFFAOYSA-N	319.361	2.052	5	40	DEBB	
Cc1cc(OC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c(=O)[nH]1	4248340	QHSBMHQCRRZLNS-UHFFFAOYSA-N	302.286	2.428	5	40	DEBB	
Cc1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-]	91926935	CAIAEWKMFBPYDZ-HOTGVXAUSA-N	306.362	2.283	5	40	DEBB	
Cc1c(C(=O)NCCC2CCN(C)CC2)cccc1[N+](=O)[O-]	216926057	RFYGWOGLOIGOTN-UHFFFAOYSA-N	305.378	2.365	5	40	DEBB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])CO2	97050673	UIRTXUQFIVKPLQ-LBPRGKRZSA-N	313.313	2.349	5	40	DEBB	
CCN(C[C@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])ccc1NC	58246488	GLIVCMFBZIWTQY-LLVKDONJSA-N	307.350	2.135	5	40	DEBB	
CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)O	3369649	DFUDJVVPRYUIAC-SNVBAGLBSA-N	300.698	2.087	5	40	DEBB	in-vitro
O=[N+]([O-])c1ccsc1N1CCCN(C2CCOCC2)CC1	96492819	JFVMPLCZNKZEBL-UHFFFAOYSA-N	311.407	2.347	5	40	DEBB	
COC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1	27024620	XXHNBIWURVLGKI-CYBMUJFWSA-N	319.273	2.165	5	40	DEBB	
C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	3565493	SCNXRQLWKRKPAQ-LLVKDONJSA-N	321.358	2.162	5	40	DEBB	
COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	335641	DOFJKIFMXFUSCX-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
COc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	361837	YEQLXQLWQPTIHO-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
CC1=CC[C@@]2(C(=O)NN=C2O)[C@H](c2ccc([N+](=O)[O-])cc2)C1	7089629	WRQAINOKCFFBDD-LBPRGKRZSA-N	301.302	2.406	5	40	DEBB	
CCCCNC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	3471278	BMIZCBHPFRWLQG-UHFFFAOYSA-N	314.725	2.321	5	40	DEBB	
COCc1nc2n(n1)C[C@@H](Nc1ccc([N+](=O)[O-])c(C)c1)CC2	95411610	DPGDXCKEBUFJMJ-LBPRGKRZSA-N	317.349	2.068	5	40	DEBB	
COc1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	23993961	CWTCYUVCNOPRLZ-UHFFFAOYSA-N	322.342	2.082	5	40	DEBB	
CC(C)(C)Nc1nc(NN)nc(Nc2cccc([N+](=O)[O-])c2)n1	1437236	OAGDKRKRINDUDS-UHFFFAOYSA-N	318.341	2.019	5	40	DEBB	
C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4806495	VPTURLFCUVSXGA-VXNVDRBHSA-N	312.709	2.386	5	40	DEBB	
Cc1ccc(CNC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1	8687625	QYHQBBXUYGJDQX-UHFFFAOYSA-N	315.329	2.302	5	40	DEBB	
CCCC(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC)c2)C1	80976588	FYXZGWRRRFOIDA-LBPRGKRZSA-N	321.377	2.489	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCCC12OCCO2	89780848	UBJBWOZWWJKKLV-ZDUSSCGKSA-N	321.333	2.402	5	40	DEBB	
CCc1ccc(S(=O)(=O)NNc2ccccc2[N+](=O)[O-])cc1	5555519	IMJTUUOKCAECPN-UHFFFAOYSA-N	321.358	2.463	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCCC12OCCO2	89780847	UBJBWOZWWJKKLV-CYBMUJFWSA-N	321.333	2.402	5	40	DEBB	
CN(C)C(=O)[C@@H]1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1	96453299	IVCVYFRTDZXLOE-AWEZNQCLSA-N	314.345	2.200	5	40	DEBB	
O=C(COc1cc(C(=O)O)ccc1[N+](=O)[O-])NC1CCCCC1	13187543	ZDRDBPOZWOFGJR-UHFFFAOYSA-N	322.317	2.121	5	40	DEBB	
CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1	2030195	ULHCIXKUSQFZAR-UHFFFAOYSA-N	323.290	2.169	5	40	DEBB	
CN(CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1	12611624	GTFLPLLNAOUCBK-UHFFFAOYSA-N	314.345	2.043	5	40	DEBB	
Cc1cc(N[C@@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1	97083754	OOVFIVAQLANRCB-SNVBAGLBSA-N	321.358	2.050	5	40	DEBB	
CC[C@H](C(=O)O)n1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	408715872	GBQJTWCWOIFNAE-ZCFIWIBFSA-N	311.216	2.158	5	40	DEBB	
Cc1cnc(OCC(=O)N[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1	96448229	BDTISTVDOBLUCX-VXGBXAGGSA-N	307.350	2.372	5	40	DEBB	
CCOC(=O)c1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cc1	57141263	YAIPUJLMAYFXGQ-UHFFFAOYSA-N	318.333	2.426	5	40	DEBB	
COC[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	22609182	DUBADPMWYRXCPL-CYBMUJFWSA-N	324.380	2.306	5	40	DEBB	
O=[N+]([O-])c1cccnc1NC1CCN(Cc2ccncc2)CC1	52447780	RRYLTNLJKPRHKS-UHFFFAOYSA-N	313.361	2.461	5	40	DEBB	
C[C@H](NC(=O)N(C)C[C@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1	78757802	REFQDNMXDGDGLV-STQMWFEESA-N	320.393	2.249	5	40	DEBB	
CCOC(=O)C(=CN(C)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	4774497	MJCIUFRYOKRSCF-UHFFFAOYSA-N	322.317	2.041	5	40	DEBB	
Cc1noc([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)n1	54661559	KNNLJUMRGKILAY-GFCCVEGCSA-N	316.317	2.306	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@H](O)CO[C@@H]2CCCc3ccccc32)cn1	73753576	SNNBYVBLFONQBQ-DZGCQCFKSA-N	317.345	2.246	5	40	DEBB	
Cc1ncsc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	188563489	XBQHBAXWNCNNGQ-UHFFFAOYSA-N	319.342	2.263	5	40	DEBB	
CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1csc([N+](=O)[O-])c1	79070545	KLOAUXZQZWGABK-VIFPVBQESA-N	321.362	2.075	5	40	DEBB	
O[C@H]1c2c(cc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@H](O)[C@@H]1O	6094742	KWFVZAJQUSRMCC-FUMNGEBKSA-N	320.344	2.386	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O	6278546	SWWHVVWCZKZCHG-QOBDMFJFSA-N	316.313	2.365	5	40	DEBB	
CC(C)C(=O)NC(NC(=O)C(C)C)c1ccc([N+](=O)[O-])cc1	3378073	FUASXQABVNCLCS-UHFFFAOYSA-N	307.350	2.138	5	40	DEBB	
COc1ccc(CN(C)[C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-]	69592013	KMORKTHLQSSIQV-LLVKDONJSA-N	323.393	2.338	5	40	DEBB	
CN(Cc1nccs1)C(=O)NCCc1ccc([N+](=O)[O-])cc1	74857994	RSNMHOMMMYBDBH-UHFFFAOYSA-N	320.374	2.435	5	40	DEBB	
COc1cc(C(=O)N(C)CC2CC2)c([N+](=O)[O-])c(OC)c1OC	40555201	DPVMGFPULJDQJA-UHFFFAOYSA-N	324.333	2.103	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccsc2)c1	96435727	AVZYDHOLDVPDTN-UONOGXRCSA-N	322.390	2.051	5	40	DEBB	
O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	4012051	GSDBCHAEOYYDKA-DTVLGXAZSA-N	302.286	2.056	5	40	DEBB	
COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1	12784354	YZIXHUMWRXBREV-LBPRGKRZSA-N	306.318	2.071	5	40	DEBB	
C[C@@H]1CC[C@H]2[C@H](C[N+](C)(C)C)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@H]13	4073605	SNGWWISTWVXYJT-WZYFWWDKSA-N	308.442	2.218	5	40	DEBB	biogenic
Cc1cc(C)c(CNC(=O)c2cccc(C)c2[N+](=O)[O-])c(=O)[nH]1	9835556	GWLXBGPSAMVMAI-UHFFFAOYSA-N	315.329	2.138	5	40	DEBB	
C[C@@H](C[S@](C)=O)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	97107409	JLUHKUJSODMWKN-SVWIBVJCSA-N	319.770	2.137	5	40	DEBB	
Cc1noc([C@H]2COCCN2Cc2ccc(C)c([N+](=O)[O-])c2)n1	188475207	AXOAQBKLADVXFK-CQSZACIVSA-N	318.333	2.168	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1NCCc1csc(N2CCCC2)n1	96429618	CDJZBWVSTUEERS-UHFFFAOYSA-N	322.394	2.040	5	40	DEBB	
COc1cc([C@@H](O)C[N+](=O)[O-])ccc1OC(=O)c1ccccc1	16196091	WYUCJPHRKUYLIQ-ZDUSSCGKSA-N	317.297	2.225	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c([N+](=O)[O-])c1	169685371	BXVIFRVMCZKCFS-RSUATGCGSA-N	324.336	2.461	5	40	DEBB	
Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1cccc[n+]1[O-]	5779931	GEWUTLMDRGTCIC-UHFFFAOYSA-N	319.342	2.267	5	40	DEBB	
COC(=O)c1cc(C(=O)NCc2ccccc2)cc([N+](=O)[O-])c1	60838	DBAQXNKDYYBMIY-UHFFFAOYSA-N	314.297	2.311	5	40	DEBB	
Nc1nc(Nc2ccccc2)nc(N2CCCC2)c1[N+](=O)[O-]	6276926	KKUPKAZGOMGAFT-UHFFFAOYSA-N	300.322	2.311	5	40	DEBB	
O=[N+]([O-])c1ccccc1N1CCN(CCc2ccncc2)CC1	9379178	DGBOCOGDXVQHDN-UHFFFAOYSA-N	312.373	2.355	5	40	DEBB	
CCOC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	226300634	IKIWTQRZRZWABM-QWRGUYRKSA-N	308.334	2.385	5	40	DEBB	
CN(C)c1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)c2ccccc2O1	59488782	HMDSPVCCBASSBD-MRXNPFEDSA-N	313.313	2.482	5	40	DEBB	
Cc1cc(Br)c(N2CCN(C)CC2)c([N+](=O)[O-])c1	45886107	NTLULBMUINFHGV-UHFFFAOYSA-N	314.183	2.418	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccs1	10327901	CPPVRCJUEALXBX-UHFFFAOYSA-N	319.342	2.220	5	40	DEBB	
CCCc1n[nH]c(Sc2ncc([N+](=O)[O-])c(NC3CC3)n2)n1	12894303	FKTZCRGLLLIJAF-UHFFFAOYSA-N	321.366	2.181	5	40	DEBB	
O=[N+]([O-])c1cccc(NNS(=O)(=O)c2ccccc2F)c1	7062272	RGMHLJXVFHLLQS-UHFFFAOYSA-N	311.294	2.039	5	40	DEBB	
CNC(=O)c1ccc(NOCc2ccccc2)c([N+](=O)[O-])c1	69489901	BEOGWOWSXLTQKH-UHFFFAOYSA-N	301.302	2.498	5	40	DEBB	
Cc1cc(NC(=O)NCC[C@@H](C)[S@@](C)=O)ccc1[N+](=O)[O-]	97096004	DNJMFDAHWMYZOE-UZJPJQLHSA-N	313.379	2.182	5	40	DEBB	
COC(=O)CCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1	40543643	JFAPWDLKAJEWQR-UHFFFAOYSA-N	309.322	2.450	5	40	DEBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(F)(F)C1(O)CCC1	95449035	YXBMBVGBHCMYQQ-UHFFFAOYSA-N	314.288	2.104	5	40	DEBB	
CCN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C	3106611	IALRZHYLVAIFFH-ZDUSSCGKSA-N	319.317	2.128	5	40	DEBB	
O=C(O)[C@@H]1[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@H]2C=C[C@H]1C2	100939080	OQSWETMHRSXTCJ-IMIFBBOLSA-N	317.297	2.161	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	100178307	JPHFGKSBNFSTSP-QLKXBERHSA-N	310.309	2.152	5	40	DEBB	
CC(C)c1nc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)no1	69590617	VQRAMCOVKSWPTE-UHFFFAOYSA-N	304.262	2.057	5	40	DEBB	
Cc1csc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n1	31732406	DEPDYGUHGHTWJV-UHFFFAOYSA-N	317.330	2.348	5	40	DEBB	
N[C@H](c1ccccc1)c1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1	95533455	ACULLFMEEVVNPB-OAHLLOKOSA-N	309.329	2.352	5	40	DEBB	
C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCCCC3)n2)C1	5149083	ZOUHQTIXIOXIIP-LLVKDONJSA-N	320.397	2.194	5	40	DEBB	
CCOC[C@@H](O)COc1cc([N+](=O)[O-])ccc1Br	225570959	HKQCCBMIHNOQSZ-SECBINFHSA-N	320.139	2.134	5	40	DEBB	
O=C(O)C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)O	337580	RRMUMFWOUFWXPU-UHFFFAOYSA-N	303.226	2.407	5	40	DEBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccon1	14255521	FHQXATGJXMHQDL-SNVBAGLBSA-N	304.306	2.214	5	40	DEBB	
O=[N+]([O-])c1ccc(OC[C@@H](O)CNCc2ccccc2)cc1	26897966	JEZGVYQHDSVFFU-HNNXBMFYSA-N	302.330	2.124	5	40	DEBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCC[C@@H]1N	96461353	XFUNPXPJAGYWHA-KGLIPLIRSA-N	305.378	2.461	5	40	DEBB	
CC[C@@](Cl)([C@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	96520706	GDAAAYIZVSPRSL-NEPJUHHUSA-N	321.782	2.408	5	40	DEBB	
CCN(CC)CCNc1c([N+](=O)[O-])ccc(OC)c1[N+](=O)[O-]	4709092	MKYSLJDNGQDUPH-UHFFFAOYSA-N	312.326	2.265	5	40	DEBB	
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1O	9890521	OAALTOPFXFHLGS-UHFFFAOYSA-N	301.302	2.142	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1c1ccc2c(c1)OCO2	69584815	VMBNXGQEFXNAJI-NSHDSACASA-N	316.317	2.399	5	40	DEBB	
Cc1noc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C(C)C)n1	72280792	QRKNQLJBRASJRK-JTQLQIEISA-N	310.335	2.475	5	40	DEBB	
Cc1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)no1	97095517	XDIBGVYOOCWLHW-UHFFFAOYSA-N	310.697	2.212	5	40	DEBB	
Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN(c2cnn(C)c2)C1	98013786	MBFLOBREGUHXBI-GFCCVEGCSA-N	316.365	2.113	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2ccnc2)nc1	25007088	UVWRGISPVAAIII-UHFFFAOYSA-N	323.312	2.357	5	40	DEBB	
Cc1nn(CC(=O)c2ccc3c(c2)OCCO3)c(C)c1[N+](=O)[O-]	4548841	ANAJIOJLMHWMGA-UHFFFAOYSA-N	317.301	2.062	5	40	DEBB	
O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(c2ncccc2F)C1	97036885	KTFQAFQIIPRULK-CYBMUJFWSA-N	316.336	2.497	5	40	DEBB	
Cc1ccc2c(c1)[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H](C)C2	96500329	XKPLYBHSAKMIHM-QMTHXVAHSA-N	314.345	2.300	5	40	DEBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCC1	12643919	PUFOMOYZQTWONG-UHFFFAOYSA-N	310.253	2.098	5	40	DEBB	
COc1ccc(NC(=S)NC(=O)C(C)(C)C)c([N+](=O)[O-])c1	3953445	SLWZVQUELDSSOK-UHFFFAOYSA-N	311.363	2.463	5	40	DEBB	
Cc1nn([C@@H](C)c2nc3c4ccccc4ncn3n2)cc1[N+](=O)[O-]	2806226	HKDSTELLSBICLX-JTQLQIEISA-N	323.316	2.300	5	40	DEBB	
COc1ccccc1[C@H](C)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1	25113909	VUYHFZRTAVDPET-NSHDSACASA-N	318.333	2.020	5	40	DEBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCCCCC1	15210566	JMCMWYAGTCRJNO-UHFFFAOYSA-N	313.379	2.013	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(F)cc2)c1	20494577	MLRYDPJKECVIDP-UHFFFAOYSA-N	324.333	2.354	5	40	DEBB	
CC[C@@H](CSC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	181618965	YJRAMVQRSKHDGQ-VIFPVBQESA-N	304.393	2.015	5	40	DEBB	
Cc1c(C(=O)NC(C)(C)C)nnn1-c1ccc([N+](=O)[O-])cc1	32145620	GJAVGDJTRBIRDS-UHFFFAOYSA-N	303.322	2.012	5	40	DEBB	
O=[N+]([O-])c1ccc([C@@H]2SC=C3Sc4nncn4N32)cc1	12322030	FIQFUMWXVXPQKA-JTQLQIEISA-N	305.344	2.475	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	101616011	STBDLLKQQLGKQE-WKSBVSIWSA-N	306.366	2.041	5	40	DEBB	
COc1cc([C@H](O)C[N+](=O)[O-])ccc1OC(=O)c1ccccc1	16196093	WYUCJPHRKUYLIQ-CYBMUJFWSA-N	317.297	2.225	5	40	DEBB	
CC[C@](Cl)([C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96520578	KPVNLJRVUUQBGA-WDEREUQCSA-N	307.755	2.018	5	40	DEBB	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccccc1	3468210	WIGNAIIGMLFEFF-UHFFFAOYSA-N	310.265	2.074	5	40	DEBB	
COCCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1	58251031	DTNYBWPATNSQSF-UHFFFAOYSA-N	315.329	2.279	5	40	DEBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[C@@H]1CC1(Cl)Cl	15354784	KIDRLIFVLTXJAV-LURJTMIESA-N	315.112	2.385	5	40	DEBB	
CC(=O)Nc1ccc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	14076781	RNTSAFKCKFHODS-UHFFFAOYSA-N	316.317	2.249	5	40	DEBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2	101615089	QKRPPPVEODGOAI-ZRJCITRHSA-N	320.393	2.431	5	40	DEBB	
CCc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2C(=O)OC)n1	70462412	OZORIBZVIVGDIO-UHFFFAOYSA-N	308.319	2.213	5	40	DEBB	
CC(C)[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1	72836485	NOOREMLMNQGZPY-CQSZACIVSA-N	323.418	2.267	5	40	DEBB	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1	83199409	SBRVSJGYLZOJCI-VUHZHCFISA-N	323.374	2.077	5	40	DEBB	
C[C@H]1CCCCN1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1	5529169	RFONWHCTKVPPOO-JTQLQIEISA-N	300.336	2.093	5	40	DEBB	
CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	58162440	SPGVWWYMOUOQRP-UHFFFAOYSA-N	302.352	2.022	5	40	DEBB	
CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cnn(C)c1	58267402	UZDAKPWYKLAVLH-UHFFFAOYSA-N	305.290	2.084	5	40	DEBB	
Cc1sc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c(C)c1C	89532593	SQHDXPOYXSKZCM-UHFFFAOYSA-N	321.358	2.382	5	40	DEBB	
CCOC(=O)c1nc2ccc(C(F)(F)F)cn2c1[N+](=O)[O-]	40566610	JMHLTIBQWGPJEG-UHFFFAOYSA-N	303.196	2.438	5	40	DEBB	
O=C(OCCc1ccccn1)c1cccc([N+](=O)[O-])c1C(=O)O	5590427	HERPBPBQGNRXQR-UHFFFAOYSA-N	316.269	2.088	5	40	DEBB	
Cc1cc(Cl)cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1O	72286996	GNWZWNSEJMBZTI-UHFFFAOYSA-N	324.724	2.488	5	40	DEBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCOC12CCCCC2	35671172	IWHNFCGNXDBPSY-UHFFFAOYSA-N	320.345	2.493	5	40	DEBB	
O=[N+]([O-])c1ccn(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)n1	195545786	OAXNPHYNIFPLJS-UKRRQHHQSA-N	317.345	2.246	5	40	DEBB	
COc1cc(NC(=O)COC(=O)C2CCC2)c(C)cc1[N+](=O)[O-]	5507523	HVTCMINCBCPLLM-UHFFFAOYSA-N	322.317	2.194	5	40	DEBB	
Cc1nn(CC(=O)OCc2ccc(F)cc2)c(C)c1[N+](=O)[O-]	21129576	LMWWMPCKCSFUCM-UHFFFAOYSA-N	307.281	2.291	5	40	DEBB	
Cc1cc(NCC(=O)N(C)CC(F)(F)F)ccc1[N+](=O)[O-]	78340029	FDAGSLKELDRSMS-UHFFFAOYSA-N	305.256	2.336	5	40	DEBB	
Cc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	85235388	HDRWZTHBAZERDI-UHFFFAOYSA-N	307.331	2.407	5	40	DEBB	
O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[C@H]1O	96461592	VHMLKCLFZIRWKJ-UKRRQHHQSA-N	306.362	2.195	5	40	DEBB	
C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	3312316	IDZAKSMNDYVMSB-NXEZZACHSA-N	310.306	2.040	5	40	DEBB	
O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](O)C3)co2)cc1	89883497	WLEWDMSQAMIHGV-AWEZNQCLSA-N	303.318	2.207	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]31	222258928	JEBWFSNKIKHTIJ-STNJXGOFSA-N	310.309	2.152	5	40	DEBB	
CCOCC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	6988762	PXZHFYAGCQCXNW-SECBINFHSA-N	321.289	2.286	5	40	DEBB	
O=C(NC[C@H](CO)Cc1ccco1)Nc1ccccc1[N+](=O)[O-]	25232163	XTOHKIRLDQXTCC-LLVKDONJSA-N	319.317	2.161	5	40	DEBB	
COc1cc(F)cc2sc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])nc12	69975614	NVSBFDIPJVONOB-NKWVEPMBSA-N	311.294	2.048	5	40	DEBB	
CN1CCC(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1	216929099	VZMJGSPTTVLBLV-UHFFFAOYSA-N	323.418	2.038	5	40	DEBB	
CNC(=O)c1ccc(Nc2cccc(CO)c2)c([N+](=O)[O-])c1	58313742	CNPWMCYVOMPPLJ-UHFFFAOYSA-N	301.302	2.190	5	40	DEBB	
CN(c1ccccc1[N+](=O)[O-])C1CCN(c2ncccn2)CC1	71904251	RJPBZATXZKEBHB-UHFFFAOYSA-N	313.361	2.490	5	40	DEBB	
CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1	5489330	NMPJHBWWZAHGEY-UWVGGRQHSA-N	308.386	2.414	5	40	DEBB	
C[C@H](NC(=O)N[C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1	78940506	WIHAAWHYYUBSLI-QWRGUYRKSA-N	317.349	2.450	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N1CCC([C@@H](O)c2ccccc2)CC1	12577937	GKFIMXGNTCDXLU-AWEZNQCLSA-N	316.361	2.278	5	40	DEBB	
Cn1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2c1=O	6620092	GLZQDROAXMQURP-UHFFFAOYSA-N	324.296	2.094	5	40	DEBB	
Cc1nc(C)c(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)s1	567470084	NHTLIMVADCAPLD-UHFFFAOYSA-N	322.371	2.488	5	40	DEBB	
COc1c2c(c3c(c1OC)c(=O)c1ccccc1n3C)OCO2	4098843	PEWWLIQAXYMMAN-UHFFFAOYSA-N	313.309	2.438	5	40	DEBB	biogenic,in-vitro
COc1cc(NC[C@@H](C)N2CCOC[C@@H]2C)ccc1[N+](=O)[O-]	110627052	RXVFZBXBBXPFKQ-NEPJUHHUSA-N	309.366	2.125	5	40	DEBB	
CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1	68451768	KHQPABVDBBOCCC-UHFFFAOYSA-N	303.303	2.204	5	40	DEBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ccc(Cl)cn1	6243338	DQGREMISLQYWKJ-UHFFFAOYSA-N	317.688	2.439	5	40	DEBB	
O=C(COc1cccnc1[N+](=O)[O-])N1CCc2sccc2C1	14238963	ORACSKBEKQSVLY-UHFFFAOYSA-N	319.342	2.015	5	40	DEBB	
COc1ccc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	9154556	JFGZQOPPIDGMSV-HNNXBMFYSA-N	316.313	2.067	5	40	DEBB	
CN(C1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])nc1	69658488	UQDOEYWQGCIXNY-UHFFFAOYSA-N	313.379	2.333	5	40	DEBB	
CCC(C)(C)N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	69740091	MEFVSBORXCGWRL-UHFFFAOYSA-N	321.333	2.150	5	40	DEBB	
Cc1nnc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C	95432404	BUYUKVUKILZQFZ-UHFFFAOYSA-N	301.350	2.196	5	40	DEBB	
COc1cccc(C(=O)N[C@@H](C)C(C)(C)CN(C)C)c1[N+](=O)[O-]	192621461	IRLXUMOJFKDCHA-NSHDSACASA-N	323.393	2.310	5	40	DEBB	
CCS(=O)(=O)[C@@](C)(Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1	96520419	GQRFHNPRJYWKOG-WDEREUQCSA-N	307.755	2.018	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2F)c1	6111353	XEBITRGVOZCXQA-UHFFFAOYSA-N	310.306	2.212	5	40	DEBB	
CSC1=C([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C	8346051	PNXAPCBYDMFEDZ-SECBINFHSA-N	324.318	2.100	5	40	DEBB	
O=C1NCCN(Cc2csc([N+](=O)[O-])c2)[C@H]1c1cccs1	72799977	KISYAKCTCQYTLP-LBPRGKRZSA-N	323.399	2.391	5	40	DEBB	
O=C1N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)Nc2ncccc21	69534994	VSLZXSXCFJVYLY-NSHDSACASA-N	304.693	2.497	5	40	DEBB	
C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C	97086010	DEUWMUIZJBGQFJ-NWDGAFQWSA-N	312.391	2.099	5	40	DEBB	
CN1CCN(c2ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)CC1	72266114	PNTUIHOIJCQTSU-UHFFFAOYSA-N	321.377	2.302	5	40	DEBB	
COc1cc(NC[C@H](C)N2CCOC[C@@H]2C)ccc1[N+](=O)[O-]	78252630	RXVFZBXBBXPFKQ-RYUDHWBXSA-N	309.366	2.125	5	40	DEBB	
Cc1cccc(N2CCC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-]	225459143	LQNWTRBRGMNLPD-HNNXBMFYSA-N	319.405	2.452	5	40	DEBB	
O=[N+]([O-])c1ccc(CS(=O)(=O)NCCc2ccccc2)cc1	32804225	POHPAZAAIWIYOS-UHFFFAOYSA-N	320.370	2.257	5	40	DEBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cn1	69675208	FVGBFWYHTXAGHF-UHFFFAOYSA-N	311.294	2.238	5	40	DEBB	
CC(C)CNC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	3504943	MICOWHBBIBJVRT-UHFFFAOYSA-N	314.725	2.177	5	40	DEBB	
C[C@H](NCCCn1cccn1)c1cc2c(cc1[N+](=O)[O-])OCO2	95419822	VQZCZVRVGDEKKT-NSHDSACASA-N	318.333	2.261	5	40	DEBB	
N[C@H](c1ccccc1)c1nc(-c2cc([N+](=O)[O-])ccc2O)n[nH]1	95533483	DKBLNNCGNBUODK-CYBMUJFWSA-N	311.301	2.134	5	40	DEBB	
NC(=O)[C@H]1CCCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1	79097496	KZBQUZOBPDHVRY-QWHCGFSZSA-N	320.349	2.151	5	40	DEBB	
CCOC(=O)[C@H](N)Cc1c([N+](=O)[O-])ccc(Cl)c1Cl	606527547	CACAWAGRUHJJLR-MRVPVSSYSA-N	307.133	2.335	5	40	DEBB	
CN(C)C(=O)c1cccc(CCNc2ccc([N+](=O)[O-])nc2)c1	78340645	YGSNDHXIEWRPJG-UHFFFAOYSA-N	314.345	2.346	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2[nH]nc(C)c2C)c1C	96483283	UIZPLHCUAPBAQG-UHFFFAOYSA-N	324.362	2.352	5	40	DEBB	
CC[C@H](NC(=O)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1	84734203	ITNVSSNJCPOJSP-HNNXBMFYSA-N	320.393	2.393	5	40	DEBB	
COc1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1	61997389	BNXSTBPULBXDAP-UHFFFAOYSA-N	311.297	2.362	5	40	DEBB	
COCCCn1cnc2oc3nc4ccccc4nc3c2c1=O	2439417	BYMOXSJOXJUTRJ-UHFFFAOYSA-N	310.313	2.122	5	40	DEBB	
O=[N+]([O-])c1cnc2c(c1)CN(C[C@H](O)CC1CCCC1)CC2	225598362	VUDGAKLEPXLTPV-OAHLLOKOSA-N	305.378	2.289	5	40	DEBB	
O=C(NC1CC1)[C@@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-]	97104445	NWUREEABSLIKAZ-LBPRGKRZSA-N	309.753	2.496	5	40	DEBB	
COC1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	96431028	RTVWRGZODZDMNG-UHFFFAOYSA-N	304.224	2.084	5	40	DEBB	
O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](C1CC1)N1CCCC1	97376269	IYCGJFBTMZOKTG-AWEZNQCLSA-N	305.334	2.113	5	40	DEBB	
C[C@H](CS(C)(=O)=O)N(C)c1ccc2cc([N+](=O)[O-])ccc2n1	76063054	CNPUMHNLXIXKEB-SNVBAGLBSA-N	323.374	2.012	5	40	DEBB	
NC1=Nc2nc3ccccc3n2[C@@H](c2ccccc2[N+](=O)[O-])N1	3170615	ZHOOKLKZVVOBLY-ZDUSSCGKSA-N	308.301	2.041	5	40	DEBB	
O=C(O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1	5224074	ZDYDFQLBCHTDSU-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
NS(=O)(=O)c1cccc(Sc2ccccc2)c1[N+](=O)[O-]	95997066	YTZRAMUPXLIDTO-UHFFFAOYSA-N	310.356	2.393	5	40	DEBB	
Cn1c(=O)nc2n(Cc3ccccc3)c3ccccc3cc-2c1=O	520321	BPEGGFUXZMLWNQ-UHFFFAOYSA-N	317.348	2.248	5	40	DEBB	
CC(C)[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	79020973	XBXAGOCKPHHVLG-LLVKDONJSA-N	301.730	2.387	5	40	DEBB	
O=C(COC(=O)Cc1ccsc1)Nc1ccccc1[N+](=O)[O-]	6424076	MTENRHBSNXWIAK-UHFFFAOYSA-N	320.326	2.381	5	40	DEBB	
O=[N+]([O-])c1cccnc1N1CCC(c2n[nH]c(C3CC3)n2)CC1	58266732	OLURIXHEDZOKSK-UHFFFAOYSA-N	314.349	2.369	5	40	DEBB	
O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc2cn[nH]c12	32816548	AJDOJNZVVYGMOB-UHFFFAOYSA-N	312.285	2.489	5	40	DEBB	
CC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)nc1C	96495221	GXHIDYVBUILPQA-UHFFFAOYSA-N	303.274	2.024	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2[S@](=O)N1Cc1ccccc1	245238693	YZPVIEYGAHVICX-NRFANRHFSA-N	302.311	2.273	5	40	DEBB	
CCOc1ccc(NC(=O)c2snnc2C)c([N+](=O)[O-])c1	4584552	WSOULMLWOCYBBI-UHFFFAOYSA-N	308.319	2.406	5	40	DEBB	
Cc1cccc(C(=O)NCCNc2cc(C)c([N+](=O)[O-])cn2)c1	95405634	NYCATTWYAVYIRV-UHFFFAOYSA-N	314.345	2.449	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cn1	73753570	SNNBYVBLFONQBQ-UKRRQHHQSA-N	317.345	2.246	5	40	DEBB	
O=[N+]([O-])c1c(N(C[C@@H]2CCOC2)C2CC2)nc2ccccn12	167539360	DGYBNIWMGXIKCA-NSHDSACASA-N	302.334	2.248	5	40	DEBB	
O=[N+]([O-])c1cccc([C@H]2SC=C3Sc4nncn4N32)c1	12407330	WAJBOQFZPYYCTN-SNVBAGLBSA-N	305.344	2.475	5	40	DEBB	
CC(C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1	3360266	IRVZIUFASKODFY-UHFFFAOYSA-N	307.335	2.002	5	40	DEBB	
Cc1nn(CC(=O)c2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-]	3443885	XDVOPOWFQANNSJ-UHFFFAOYSA-N	303.274	2.020	5	40	DEBB	
C[C@]1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCO1	95442760	TYNMGXWIAQHXIH-OAHLLOKOSA-N	307.350	2.006	5	40	DEBB	
C[C@H](CC(=O)O)n1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	408716398	MOPCYKWMBYEHLK-ZCFIWIBFSA-N	311.216	2.158	5	40	DEBB	
COc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	225021039	VNRJGDWGUUHZQQ-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
CC(=O)c1ccc(NCCc2nncn2C2CC2)c([N+](=O)[O-])c1	96411815	FPCMMDCVNOWBIE-UHFFFAOYSA-N	315.333	2.378	5	40	DEBB	
CCOC(=O)CSc1ccc(C(=O)OCC)cc1[N+](=O)[O-]	259255	OGTOSVMZTSJOTM-UHFFFAOYSA-N	313.331	2.427	5	40	DEBB	
O=C(NCCCOC[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-]	24236457	FSCJHNMTHSWDHQ-GFCCVEGCSA-N	323.349	2.302	5	40	DEBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	3235876	XUMJTLSZCIPXTN-AWEZNQCLSA-N	304.277	2.197	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cn2)c(F)c1	69675311	CZJQKTKVZHFHBO-UHFFFAOYSA-N	315.257	2.069	5	40	DEBB	
O=C(NCCNc1ncccc1[N+](=O)[O-])c1c(F)cccc1F	71903136	XWOLFUCMEJHWKO-UHFFFAOYSA-N	322.271	2.110	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccccc1	224672031	GKKAXXFGBSYGJB-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
COc1cc(N2CCC(N3CCCC3=O)CC2)ccc1[N+](=O)[O-]	96429420	MDGGRSIADQOEMM-UHFFFAOYSA-N	319.361	2.195	5	40	DEBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC1=NCCS1	513829	BXNYTJVIRSOBMY-DUXPYHPUSA-N	311.750	2.480	5	40	DEBB	
CN(C)C[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	97080682	VDDIABZALDXEHU-SNVBAGLBSA-N	311.769	2.272	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C1	13778972	GIITUDGEKXIGEE-PHIMTYICSA-N	320.397	2.050	5	40	DEBB	
CC(C)N1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1	69596341	JUPVXMVXLDRUFZ-NPQIQWPPSA-N	303.362	2.207	5	40	DEBB	
CN(CCN(C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1Cl	521394397	YHNJFYJDLNXEBX-UHFFFAOYSA-N	311.769	2.414	5	40	DEBB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3)c1	78403684	FONVWLTVQLNOPW-UHFFFAOYSA-N	319.342	2.364	5	40	DEBB	
O[C@H]1c2cc3ccc4cccc5ccc(c2[C@H](O)[C@@H](O)[C@@H]1O)c3c45	5845901	KWFVZAJQUSRMCC-VNTMZGSJSA-N	320.344	2.386	5	40	DEBB	
CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCO1	72635717	HEFFDHFORYKWPX-CQSZACIVSA-N	321.377	2.343	5	40	DEBB	
Cc1ccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c(CN(C)C)c1	72840676	NAXJXNKUFAUXNC-UHFFFAOYSA-N	317.349	2.249	5	40	DEBB	
O=C(OCCN1CCCC1=O)c1cc(Cl)ccc1[N+](=O)[O-]	57359311	OXUNEZIBQPTMTN-UHFFFAOYSA-N	312.709	2.027	5	40	DEBB	
Cc1c(OCC(=O)NC(=O)NC2CCCC2)cccc1[N+](=O)[O-]	53837447	OWMRIXIHWWQRMZ-UHFFFAOYSA-N	321.333	2.050	5	40	DEBB	
CCC(CC)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N(C)C	24205098	YLFWFGIHOPCANO-HNNXBMFYSA-N	322.409	2.472	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)[C@@H]2CCCO2)c1	281367240	WMZOJSMPXKVJMS-OCCSQVGLSA-N	322.361	2.356	5	40	DEBB	
O=C(O)CCCCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-]	3151905	XYGSKKBOKFOMQD-MDZDMXLPSA-N	306.318	2.369	5	40	DEBB	
O=C(O)CSc1ncccc1Nc1ccc([N+](=O)[O-])cn1	5389737	SIMQAUFSBNNHDE-UHFFFAOYSA-N	306.303	2.305	5	40	DEBB	
C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C	4965026	QETSVXHUMUSHDS-MXWKQRLJSA-N	324.333	2.286	5	40	DEBB	
Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1	3088163	OJVHGBMLEMSJKL-UHFFFAOYSA-N	302.246	2.459	5	40	DEBB	
COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])n2C)c1	8328643	MUGCUGYJGKQZMV-UHFFFAOYSA-N	317.301	2.281	5	40	DEBB	
Cc1nn(CCn2c(=O)oc3ccccc32)c(C)c1[N+](=O)[O-]	26007500	IZNXJVDXSZQXRR-UHFFFAOYSA-N	302.290	2.016	5	40	DEBB	
Cc1nc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cs1	25392468	XVBFTXGMPKWYNG-UHFFFAOYSA-N	303.299	2.156	5	40	DEBB	
O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)NCc1ccco1	7910674	FMZUWAUYZWUAQB-ONEGZZNKSA-N	316.269	2.246	5	40	DEBB	
C[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCc2ccccc21	96492502	JZVYPKFVJGLJLE-INIZCTEOSA-N	314.345	2.342	5	40	DEBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccno3)nc12	10253791	QGMQGWPCVVSGLX-UHFFFAOYSA-N	320.286	2.453	5	40	DEBB	
O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cnccc1-n1cccn1	95401647	WXUCFCMYGKURMY-UHFFFAOYSA-N	323.312	2.357	5	40	DEBB	
CN(Cc1ccco1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	67374969	BKYKKXXFMZIZSS-OAHLLOKOSA-N	315.329	2.425	5	40	DEBB	
COc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCCCC2)c1	69535351	ZTZGBIRNTKQHSR-UHFFFAOYSA-N	321.377	2.209	5	40	DEBB	
COC(=O)c1cnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1	24364700	PEWCONNMVYOYAU-UHFFFAOYSA-N	321.314	2.399	5	40	DEBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCCn1ccnc1	79050395	CFMSJMFOBTVYQA-VOTSOKGWSA-N	314.345	2.401	5	40	DEBB	
Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]2C)cc1[N+](=O)[O-]	97097217	CPRWRPKSLAKQLF-MRVPVSSYSA-N	302.327	2.215	5	40	DEBB	
CCCCCC(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1	14257551	OSAMXMRGMQPSKT-UHFFFAOYSA-N	310.379	2.493	5	40	DEBB	
COc1ccc(S(=O)(=O)NCc2ccccc2)cc1[N+](=O)[O-]	7778369	KKUIFAIVXNMUGH-UHFFFAOYSA-N	322.342	2.082	5	40	DEBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nnnn1C	69454406	HQNOQPHSTSSDIR-UHFFFAOYSA-N	309.351	2.198	5	40	DEBB	
CC(C)n1ccnc1CNc1cc([N+](=O)[O-])ccc1NCCO	95411942	PCLHCWIGGRCAKE-UHFFFAOYSA-N	319.365	2.389	5	40	DEBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)NCCc1ccccn1	96118635	INBWHOPWRALLAZ-UHFFFAOYSA-N	324.340	2.303	5	40	DEBB	
COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1	32779604	VRGWQDURNZJGNH-ZANVPECISA-N	309.322	2.292	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)c(F)c1	42096451	JAHOODMAAQVXGI-UHFFFAOYSA-N	302.309	2.456	5	40	DEBB	
Cc1csc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1	24659033	BPTCWADZVVBFPO-UHFFFAOYSA-N	305.363	2.081	5	40	DEBB	
CCN(C[C@@H](C)C(=O)OC)C(=O)c1cccc(C)c1[N+](=O)[O-]	58363642	HMAVAJAOYIMBML-LLVKDONJSA-N	308.334	2.174	5	40	DEBB	
Cc1cc(C)nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	5392699	KEVZUSAXJIMECG-UHFFFAOYSA-N	307.331	2.407	5	40	DEBB	
CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1/C=C\C(=O)O	98090085	DAKYHZYBCBZETG-XQRVVYSFSA-N	304.258	2.351	5	40	DEBB	
O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1cccc([N+](=O)[O-])c1	101560695	PHOVMYDPKYLMOF-MJVIPROJSA-N	316.313	2.289	5	40	DEBB	
Cc1cc([C@](C)(O)CNc2c([N+](=O)[O-])c(C)nn2C)c(C)o1	76063428	YADAGDYRNCJXHV-CQSZACIVSA-N	308.338	2.166	5	40	DEBB	
CCOC(=O)NC(NC(=O)OCC)c1ccc([N+](=O)[O-])cc1	1562904	KQKKAPWFMXOUDG-UHFFFAOYSA-N	311.294	2.086	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1	1712050	HZFBXPDDUCZHGX-UHFFFAOYSA-N	322.298	2.477	5	40	DEBB	in-vitro
Cc1cccc(C)c1OC[C@H](O)CNc1ccc([N+](=O)[O-])cn1	58441722	BJIYOVFICFBUIP-CQSZACIVSA-N	317.345	2.458	5	40	DEBB	
Cc1c(C(=O)OCC(=O)NC2CCCC2)cccc1[N+](=O)[O-]	3444643	SBZIMMWTQCZKCM-UHFFFAOYSA-N	306.318	2.119	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2C=CCCC2)CC1	77359396	CXJODWKPFGMRMJ-OAHLLOKOSA-N	315.373	2.461	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CC1CCN(C)CC1	216894964	RLUUPPHQPQDAIB-UHFFFAOYSA-N	307.350	2.274	5	40	DEBB	
COC(=O)c1ccccc1Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	4115745	IFPIGQKAVHXFSA-UHFFFAOYSA-N	318.245	2.428	5	40	DEBB	
O=C(Nc1nncs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	5571609	WYDYJCWRHYPRCQ-UHFFFAOYSA-N	319.346	2.299	5	40	DEBB	
Cc1cnc(N(CCC(N)=O)Cc2ccccc2)c([N+](=O)[O-])c1	95428512	LXPWAUJELQDIST-UHFFFAOYSA-N	314.345	2.180	5	40	DEBB	
Cc1nn(C)c(NCCc2cn3cccc(C)c3n2)c1[N+](=O)[O-]	80675782	ZNNJVHORKXLRNK-UHFFFAOYSA-N	314.349	2.247	5	40	DEBB	
O=C(N[C@@H]1CCSC1=O)c1ccc([N+](=O)[O-])cc1Cl	83284	BWIGZSVIZFCNFC-SECBINFHSA-N	300.723	2.010	5	40	DEBB	
CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O	3280833	FXYQJFFJQHAXBS-SNVBAGLBSA-N	300.698	2.087	5	40	DEBB	in-vitro
Nc1ccc(C(=O)OCCOc2ccccc2)cc1[N+](=O)[O-]	7122404	JVKYKSKOIUTJLX-UHFFFAOYSA-N	302.286	2.413	5	40	DEBB	
Cc1ccc(Sc2nnc(C(F)F)n2N)c([N+](=O)[O-])c1	216903927	QRSCPXWMAUDPNI-UHFFFAOYSA-N	301.278	2.297	5	40	DEBB	
CC(C)(CNc1ccc(Br)cc1[N+](=O)[O-])C(N)=O	225738754	PGGSLQMHCTVODZ-UHFFFAOYSA-N	316.155	2.281	5	40	DEBB	
Cc1nn(C)c(N(C)Cc2ccc3c(c2)OCCO3)c1[N+](=O)[O-]	47331004	PLPZGLGWVVPQQH-UHFFFAOYSA-N	318.333	2.044	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	223980736	JPHFGKSBNFSTSP-LACSLYJWSA-N	310.309	2.152	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]31	169683177	KQWIHAFWGICYBX-JNWWKETESA-N	310.309	2.152	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@H]1C=C[C@@H]2C12CC2	4155657	YLYYKLJYPGBNNM-DJBIQUGXSA-N	310.309	2.296	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(O)c1	6623412	JDLRQFBCVPZMCJ-UHFFFAOYSA-N	308.315	2.410	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1ccccc1O	2795352	PXAHSXSBHLIVST-VIFPVBQESA-N	304.306	2.080	5	40	DEBB	
O=C(NC(=S)Nc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1	503285	LVDVUJOYDWEVRE-UHFFFAOYSA-N	317.326	2.427	5	40	DEBB	
Cc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cccc1[N+](=O)[O-]	9142005	NNXWINXNHWOLDC-UHFFFAOYSA-N	312.285	2.325	5	40	DEBB	
CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1	5489321	NMPJHBWWZAHGEY-VHSXEESVSA-N	308.386	2.414	5	40	DEBB	
CS[C@H]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	72794240	WGRLHAQCJIAQFE-OLZOCXBDSA-N	323.418	2.410	5	40	DEBB	
COc1ccc(NC(=O)CCOc2cccc([N+](=O)[O-])c2)cn1	31483704	XEGPDNUHJZMLHV-UHFFFAOYSA-N	317.301	2.406	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1ccc(O)cc1	2794761	HDHZZYSYXNVQGM-SECBINFHSA-N	304.306	2.080	5	40	DEBB	
Cc1cc(O)nc2nnc(SCc3cccc([N+](=O)[O-])c3)n12	4249976	XWWMWYYSRJIWMH-UHFFFAOYSA-N	317.330	2.339	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(C(=O)O)cc1	8051524	QZZJFVZLGDFKFX-UHFFFAOYSA-N	314.297	2.152	5	40	DEBB	
COc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	9855151	DEHZVBAYSPDUMU-UHFFFAOYSA-N	315.285	2.181	5	40	DEBB	
O=C1CCCCN1CC1CCN(c2ccncc2[N+](=O)[O-])CC1	76064227	CNDMXXHEZLKMGH-UHFFFAOYSA-N	318.377	2.219	5	40	DEBB	
Cc1ccccc1-c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1	12820383	JZLKWEOKBXKVLX-UHFFFAOYSA-N	312.285	2.163	5	40	DEBB	
CC1=C([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N(C)C(=O)N1C	3106580	IAMSZHQLMMHAMS-LBPRGKRZSA-N	306.278	2.141	5	40	DEBB	
O=[N+]([O-])c1ccc2c(c1)[C@H](O)n1nc(-c3ccccc3)nc1N2	9236101	OLWVPSLQXBVHCZ-AWEZNQCLSA-N	309.285	2.450	5	40	DEBB	
O=C(CCNCc1ccccc1[N+](=O)[O-])N1CCCCCC1	78394202	JVMNMCGNMWTRSJ-UHFFFAOYSA-N	305.378	2.477	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@H](O)CO[C@@H]2CCCc3ccccc32)c1	95438795	ZAMHKMHHAIYOMN-GOEBONIOSA-N	317.345	2.246	5	40	DEBB	
CC1(C)C[C@@]2(C)C[C@H]1C[C@H]2NC(=O)CC[N+]1(C)CCOCC1	245380290	VQORVKOBAJQQRB-IIDMSEBBSA-O	309.474	2.184	5	40	DEBB	
CS(=O)(=O)c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1	4517772	SHNRPVTULRTZIU-UHFFFAOYSA-N	320.326	2.251	5	40	DEBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccnn1C	31931043	NTPCMMNILTYOPV-BQYQJAHWSA-N	300.318	2.000	5	40	DEBB	
CC(=O)N1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc21	25172260	MPDDQGVJDWEISO-UHFFFAOYSA-N	315.285	2.349	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)noc1C	58016304	IYSASAKVKQQFQF-UHFFFAOYSA-N	311.319	2.309	5	40	DEBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2cccnc2)cc1[N+](=O)[O-]	20528557	DGWDSVDQSCASSI-UHFFFAOYSA-N	318.245	2.159	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1nc[nH]n1	95983119	DNFXZMYJGVSDTN-CYBMUJFWSA-N	315.333	2.009	5	40	DEBB	
Cc1cnc(OCc2nc(-c3ccccn3)no2)c([N+](=O)[O-])c1	96488990	OALNHFAUYMWUGR-UHFFFAOYSA-N	313.273	2.322	5	40	DEBB	
NC(=O)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl	97082823	VZVUIUNKPAYWIS-LLVKDONJSA-N	311.769	2.478	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([C@H](C)O)C1	97380045	YRWFNNHIGIUSIA-RYUDHWBXSA-N	307.350	2.446	5	40	DEBB	
O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	223981660	JPHFGKSBNFSTSP-PLJUSGQGSA-N	310.309	2.152	5	40	DEBB	
COc1ncc(C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-]	96445024	VSJMZTNGKHBLHI-UHFFFAOYSA-N	301.302	2.488	5	40	DEBB	
COc1cc2c(cc1OC)[C@@H]1CCN3C(=O)CC[C@@H]3[N+]1(C)CC2	5120945	DLBKWQHFVZZPHA-OJIYZUOWSA-N	317.409	2.100	5	40	DEBB	
C[C@H](Nc1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1	32743564	FPEBOMCGCWUFEI-JTQLQIEISA-N	321.358	2.415	5	40	DEBB	
COC(=O)c1ccoc1COC(=O)c1ccccc1[N+](=O)[O-]	24038713	KIUSJNHPDUGZIN-UHFFFAOYSA-N	305.242	2.331	5	40	DEBB	
O=C(Nc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(O)c1	35307877	JOWXNEKVLIKCEK-UHFFFAOYSA-N	302.242	2.281	5	40	DEBB	
O=C1O[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21	4387242	SYPSYLMNLQZZEU-CQSZACIVSA-N	312.281	2.315	5	40	DEBB	
O=C(NCC[S@](=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	69708090	RUPIKXXFULNFAE-JOCHJYFZSA-N	318.354	2.132	5	40	DEBB	
O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccccc1[N+](=O)[O-]	71904105	HAQNNIFWQUSTCG-LLVKDONJSA-N	317.267	2.242	5	40	DEBB	
Cc1noc(C)c1[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-]	95468176	SUMOPAYHMIALAF-ZETCQYMHSA-N	304.306	2.273	5	40	DEBB	
C[C@H]1C[C@H](C)CN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)C1	36576572	JECVOHGLNGYZSU-YDHLFZDLSA-N	308.378	2.312	5	40	DEBB	
CC(=O)CC[C@@H](CCC[C@H](CCC(C)=O)[N+](=O)[O-])[N+](=O)[O-]	1595443	UFIRUAZYPUGOBZ-CHWSQXEVSA-N	302.327	2.186	5	40	DEBB	
CN1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1	57234397	QOPQEWAUNUPGDM-UHFFFAOYSA-N	322.364	2.334	5	40	DEBB	aggregator
Cn1c(=N)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	19855183	LXUOMJASXIYILI-UHFFFAOYSA-N	310.313	2.250	5	40	DEBB	
O=[N+]([O-])c1cc(-n2cc(Br)cn2)cc([N+](=O)[O-])c1	15084455	FCYHVTURPSVAMX-UHFFFAOYSA-N	313.067	2.451	5	40	DEBB	
O=[N+]([O-])c1cccc(F)c1CSCCN1CCOCC1	95977039	PDJZRSIJDSPJBY-UHFFFAOYSA-N	300.355	2.299	5	40	DEBB	
CNc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	36287829	WTKRKTCGKYHLFR-UHFFFAOYSA-N	307.331	2.437	5	40	DEBB	
Cc1cc(N2CCC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-]	96429478	JGBNXFJUNKOBQZ-HNNXBMFYSA-N	319.405	2.452	5	40	DEBB	
O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	100537329	XXEUORHXHOMNOK-NGERZBJRSA-N	302.286	2.056	5	40	DEBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1	102596352	WEGIZRZHRSLDFI-BJDJZHNGSA-N	306.366	2.366	5	40	DEBB	
CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(C(C)(F)F)C1	409002107	MERPQKGBOXFONY-CYBMUJFWSA-N	313.260	2.160	5	40	DEBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NCC1(CO)CCCCC1	95966768	IOZALXQZDRWMGY-UHFFFAOYSA-N	306.362	2.196	5	40	DEBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCC[C@H]1N	96461356	XFUNPXPJAGYWHA-UONOGXRCSA-N	305.378	2.461	5	40	DEBB	
Cc1cc(CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)no1	31655842	HPWJWERDYXDMRO-UHFFFAOYSA-N	319.317	2.390	5	40	DEBB	
CC(=O)c1ccc(NC(=O)COc2cccnc2[N+](=O)[O-])cc1	12642076	SOKCGGFIGVXDKY-UHFFFAOYSA-N	315.285	2.210	5	40	DEBB	
Cc1nn([C@H](C)C(=O)NCCc2cccs2)c(C)c1[N+](=O)[O-]	75104956	JGKUQRFNHRJIBF-LLVKDONJSA-N	322.390	2.390	5	40	DEBB	
Nc1ccnc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)n1	92684348	LKWGOYGGDSJGPI-UHFFFAOYSA-N	311.248	2.181	5	40	DEBB	
O=C1NC2(CCCCC2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	3505459	KNZICOOYMLEFJZ-UHFFFAOYSA-N	303.318	2.350	5	40	DEBB	
O=C(NCCO)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	8020335	MAPCUIZYLJBHTE-UHFFFAOYSA-N	310.693	2.230	5	40	DEBB	
O=[N+]([O-])c1ccccc1CSc1nnnn1CC(F)(F)F	69451259	ZRIABZWQFKDKSY-UHFFFAOYSA-N	319.268	2.436	5	40	DEBB	
Cc1nc(C)c(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)s1	97046289	XGFMTVUFUYMFPW-UHFFFAOYSA-N	318.358	2.262	5	40	DEBB	
Cc1nc(CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)s1	97112961	VKZRODDTXUXWKA-UHFFFAOYSA-N	307.331	2.304	5	40	DEBB	
CCCCN1CC(=O)N(c2ccc(OC)cc2[N+](=O)[O-])C1=O	40556414	VRDXQZCZTJBLEL-UHFFFAOYSA-N	307.306	2.172	5	40	DEBB	
CC/C=C/COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	52749167	XHLWNFMBEGFTLH-ONEGZZNKSA-N	302.290	2.299	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1	8147182	QRDWXRFFUNWSCQ-GHMZBOCLSA-N	312.391	2.481	5	40	DEBB	
CCn1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C	195567485	WQKYBLQYNOHBSE-UHFFFAOYSA-N	304.306	2.386	5	40	DEBB	
C[C@H](NC(CO)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1	95968591	VHCHYVYHEODKLI-JTQLQIEISA-N	322.386	2.327	5	40	DEBB	
CC(=S)N/C=C/c1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	1637570	JLDMRBOFNYFRPV-NSCUHMNNSA-N	311.275	2.109	5	40	DEBB	
CCN(CC)C(=O)CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2685116	XJJAOJDYTXMYEU-UHFFFAOYSA-N	313.335	2.464	5	40	DEBB	
Cc1nc(NC[C@H](C)O)nc(NC2CCCCC2)c1[N+](=O)[O-]	38488503	LEJIDVNCJMTNNE-VIFPVBQESA-N	309.370	2.231	5	40	DEBB	
O=C(O)NC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCCCO1	1708577	JLIXNCAKHUTJPR-LBPRGKRZSA-N	324.289	2.046	5	40	DEBB	
COC(=O)c1cc(C(=O)N(C)[C@H](C)C2CC2)cc([N+](=O)[O-])c1	13012129	SIJRZSUDRHIZSM-SECBINFHSA-N	306.318	2.252	5	40	DEBB	
O=[N+]([O-])c1ccc(Cn2c(NCCO)nc3ccccc32)cc1	5184925	RNIOXHTZAWNBQY-UHFFFAOYSA-N	312.329	2.397	5	40	DEBB	
Cc1c([C@H](C)NCCc2nnc3n2CCC3)cccc1[N+](=O)[O-]	95419912	PCWYWCLMYDHVSP-LBPRGKRZSA-N	315.377	2.334	5	40	DEBB	
O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]31	408619841	HZVCVTUETNCINJ-OJFNHCPVSA-N	324.336	2.148	5	40	DEBB	
Cc1cc([N+](=O)[O-])cn(Cc2cn3cc(Cl)ccc3n2)c1=O	96476361	ASWZAUDCWGOJDF-UHFFFAOYSA-N	318.720	2.414	5	40	DEBB	
CC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nc(C(F)(F)F)cs1	247993110	LKZQBYGLLLYJQF-DSYKOEDSSA-N	323.296	2.394	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N1CCN(CC2CCCCC2)CC1	31792506	OMCHAAYWNDOXEB-UHFFFAOYSA-N	307.398	2.031	5	40	DEBB	
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1[N+](=O)[O-]	4611966	MOUKOXCKWBXEKL-QOBDMFJFSA-N	316.313	2.365	5	40	DEBB	
CN1CCN(CC2CCN(c3sccc3[N+](=O)[O-])CC2)CC1	97033904	KWCVPVVPPVSMRK-UHFFFAOYSA-N	324.450	2.120	5	40	DEBB	
Cc1ccnc(Sc2nnc(CN3CCCC3)o2)c1[N+](=O)[O-]	95397621	BQVLLZDIAOWRLE-UHFFFAOYSA-N	321.362	2.428	5	40	DEBB	
CCCC(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC)c2)C1	80976585	FYXZGWRRRFOIDA-GFCCVEGCSA-N	321.377	2.489	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1)C31CC1	4199648	FOISCOGVUGBTCW-KPWCQOOUSA-N	310.309	2.296	5	40	DEBB	
O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(OCCO)c21	2545703	WSIJMANRJMBGQF-UHFFFAOYSA-N	316.269	2.324	5	40	DEBB	
COc1ccc(C)cc1NC(=O)Cn1cc([N+](=O)[O-])nc1C	72332112	NKHOEGHQCHVGRD-UHFFFAOYSA-N	304.306	2.055	5	40	DEBB	
CC[N+]1(C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CCOCC1	5447318	LDHSDHWSXOQHLI-GVDBMIGSSA-N	314.490	2.446	5	40	DEBB	
CN(C)C(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	34892027	FCKBNRMKHZYUJQ-UKRRQHHQSA-N	303.362	2.214	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])cc2[nH]nc(Br)c12	14983693	YXRTZIUWOQYVOA-UHFFFAOYSA-N	300.068	2.020	5	40	DEBB	
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1[N+](=O)[O-]	14258177	TUDJVWJUXZRDSY-UHFFFAOYSA-N	307.218	2.357	5	40	DEBB	
CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	124071	AJTGDBABXFZHMV-ZDUSSCGKSA-N	319.317	2.128	5	40	DEBB	
Cn1nccc1CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	97140894	MVEXLXIGTBYGCD-UHFFFAOYSA-N	323.740	2.346	5	40	DEBB	
CCN1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1	69814418	JOYWGJROCDONEN-GQCTYLIASA-N	321.352	2.348	5	40	DEBB	
CCOC(=O)CCCCn1cc(Br)c([N+](=O)[O-])n1	71916025	ZMZHTURSMZOXKO-UHFFFAOYSA-N	320.143	2.287	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1	46162426	NBCQSQRQQHZFAF-LLVKDONJSA-N	305.334	2.099	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)N[C@H](C)c1ccc(F)cc1	225477579	ZEBFWUATEZXREP-SNVBAGLBSA-N	306.297	2.116	5	40	DEBB	
C[C@H](NC(=O)CN1CCc2ccc([N+](=O)[O-])cc21)c1ccco1	97374175	GBNHOQUJKQIZTJ-NSHDSACASA-N	315.329	2.428	5	40	DEBB	
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](O)C2)cc1[N+](=O)[O-]	84190175	KANCWFCOBNBQHL-YPMHNXCESA-N	307.350	2.131	5	40	DEBB	
Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)no1	14246945	XTXWJYVLCQQDED-SECBINFHSA-N	319.273	2.075	5	40	DEBB	
CCS[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	96456061	HDOWUJADSUTSJP-VHSXEESVSA-N	312.395	2.420	5	40	DEBB	
CN(Cc1nnnn1-c1cccc([N+](=O)[O-])c1)C1CCCCC1	4129617	BRBQTDBSDTUEAK-UHFFFAOYSA-N	316.365	2.335	5	40	DEBB	
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NCc1ccccc1	39758251	ZSYYQGOJOWRCCL-UHFFFAOYSA-N	310.313	2.261	5	40	DEBB	
CCNC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-]	188663102	PIQWJJBGJQXFDY-UHFFFAOYSA-N	321.102	2.011	5	40	DEBB	
CN(CC(C)(C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	96502936	MWIXGPSTNJSUCU-UHFFFAOYSA-N	300.380	2.403	5	40	DEBB	
CCc1ccc(NC(=O)CCCn2cncn2)cc1[N+](=O)[O-]	96405887	INNWRCHIUHRIHG-UHFFFAOYSA-N	303.322	2.168	5	40	DEBB	
CCN1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1	96455221	ZMZAAGLEVWQFKX-CYBMUJFWSA-N	320.393	2.311	5	40	DEBB	
Cc1c([N+](=O)[O-])c[nH]c2ncc(I)c1-2	575441049	PVMJUUNEKVAQDM-UHFFFAOYSA-N	303.059	2.336	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([C@@H](C)O)C1	97380044	YRWFNNHIGIUSIA-VXGBXAGGSA-N	307.350	2.446	5	40	DEBB	
Cc1nonc1O[C@H](C)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	6177693	NQLUZBOCBLVDKL-SSDOTTSWSA-N	323.265	2.074	5	40	DEBB	
NC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	4599618	PEFANSBWEDRANM-UHFFFAOYSA-N	302.246	2.346	5	40	DEBB	
Cn1cc(CCCOC(=O)c2ccc(F)cc2[N+](=O)[O-])cn1	95965207	WUOUQHDNLVSFJN-UHFFFAOYSA-N	307.281	2.257	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C3CCOCC3)C2=O)c1	88726991	VBUAGYSSHDPOTQ-CYBMUJFWSA-N	319.361	2.095	5	40	DEBB	
Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cn1	25306700	YXSFHDSEHPYWRB-UHFFFAOYSA-N	315.333	2.181	5	40	DEBB	
C/C=C/COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	78984626	WSEPMUNRUPZVKI-PBKGFPTLSA-N	324.358	2.380	5	40	DEBB	
C[C@@H]1CCCC[C@@H]1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	95481806	BMJXEDUTWJFNRT-SKDRFNHKSA-N	323.374	2.212	5	40	DEBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)o1	22242760	WNZJPCNQTJKGPG-SNVBAGLBSA-N	310.693	2.305	5	40	DEBB	
Cn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21	8132089	RLJFOHRJFYWJOW-UHFFFAOYSA-N	310.313	2.412	5	40	DEBB	
CC(=O)N1CC[C@]2(CCCN(Cc3cccc([N+](=O)[O-])c3)C2)C1	63527730	BYDOJUUGDALKNZ-KRWDZBQOSA-N	317.389	2.429	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)NCCn1cccc1	122993633	TWWUYKDROVWXGV-UHFFFAOYSA-N	304.306	2.227	5	40	DEBB	
Cc1nn(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1C	195578505	OFEJFSYBJNPQQA-UHFFFAOYSA-N	323.374	2.190	5	40	DEBB	
COc1ccc(NC(=O)CSc2[nH]nc(C)c2[N+](=O)[O-])cc1	15953287	RUFVCJYGYQZXBM-UHFFFAOYSA-N	322.346	2.366	5	40	DEBB	
Cc1nn(CN(C)CCOc2ccccc2)c(C)c1[N+](=O)[O-]	21323482	CAXFNPWRXGJPRE-UHFFFAOYSA-N	304.350	2.376	5	40	DEBB	
CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	124074	AJTGDBABXFZHMV-CYBMUJFWSA-N	319.317	2.128	5	40	DEBB	
O=[N+]([O-])c1ccccc1OCCN(C[C@@H]1CCOC1)C1CC1	48368924	NTWLTWKACWOUQN-ZDUSSCGKSA-N	306.362	2.475	5	40	DEBB	
Nc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2ccncc2)CC1	97050731	BYYFKMFRKGWAPZ-UHFFFAOYSA-N	312.329	2.034	5	40	DEBB	
Cc1cc([N+](=O)[O-])cn(Cc2ccc(-n3ccnc3)cc2)c1=O	188113062	BZRRYKMBIBKDIK-UHFFFAOYSA-N	310.313	2.299	5	40	DEBB	
C[C@@H]1COC2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)O1	96414907	LGUAFJNEGXOFFH-CYBMUJFWSA-N	306.362	2.365	5	40	DEBB	
CC(C)(COCc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-]	252510540	ZNIOVYKSFFWWHK-UHFFFAOYSA-N	318.333	2.043	5	40	DEBB	
C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4806499	VPTURLFCUVSXGA-IONNQARKSA-N	312.709	2.386	5	40	DEBB	
Cc1cc(S(=O)(=O)NCc2ccccn2)cc([N+](=O)[O-])c1C	41095577	DPMRFMQDIFTZQA-UHFFFAOYSA-N	321.358	2.085	5	40	DEBB	
CN(C)S(=O)(=O)c1cccc(C[N+](C)(C)C2CCCC2)c1	24156430	PXWJEIHBSQSTCX-UHFFFAOYSA-N	311.471	2.456	5	40	DEBB	
COC(=O)c1cccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])c1	3448255	SMIWTDYVLLESCL-UHFFFAOYSA-N	316.269	2.273	5	40	DEBB	
Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2n1	2501014	WVVMYGVWCSXCII-UHFFFAOYSA-N	311.301	2.287	5	40	DEBB	
Cc1ncccc1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21	97082592	GWFDNFYGHRTZNR-UHFFFAOYSA-N	313.313	2.266	5	40	DEBB	
COc1ccc(-c2noc([C@H](C)n3cc([N+](=O)[O-])cn3)n2)cc1	97047993	VOTAMDCBZWTUBK-VIFPVBQESA-N	315.289	2.459	5	40	DEBB	
O=C1O[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21	4387243	SYPSYLMNLQZZEU-AWEZNQCLSA-N	312.281	2.315	5	40	DEBB	
CC(C)(C)C(=O)Cn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O	69451182	ZVZWNJFVHXXUIY-UHFFFAOYSA-N	305.290	2.027	5	40	DEBB	
Cc1[nH]nc(C(=O)N[C@@H](C)CC(=O)c2cccs2)c1[N+](=O)[O-]	95979611	SAXBKNHTEOUEIC-ZETCQYMHSA-N	322.346	2.079	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1	44900293	FRGXIPBEBCCJDK-ZKYQVNSYSA-N	310.375	2.203	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCCCCC2)cc1	97085536	JNQMSXRSKCWKSR-UHFFFAOYSA-N	312.391	2.245	5	40	DEBB	
NC1=Nc2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2)N1	3177247	ZYYGXYFZUAHEGK-ZDUSSCGKSA-N	308.301	2.041	5	40	DEBB	
Cc1c([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)nn1C	101988394	FNGDPHYAAHYWBE-HJQYOEGKSA-N	306.366	2.191	5	40	DEBB	
O=C(NC(=S)N1CCCCCC1)c1cccc([N+](=O)[O-])c1	503183	JGQBXYQUZSINKB-UHFFFAOYSA-N	307.375	2.486	5	40	DEBB	
Cc1nn(CCNC(=O)c2ccccc2Cl)c(C)c1[N+](=O)[O-]	2796462	KGFOQMIAURCAMX-UHFFFAOYSA-N	322.752	2.492	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1C	6639642	AWZKDCNWIIUGSG-ATZCPNFKSA-N	322.317	2.130	5	40	DEBB	
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CCO)cc2)c1	83925520	AQIOJUACKCLVIC-UHFFFAOYSA-N	316.313	2.391	5	40	DEBB	
O=[N+]([O-])c1cn(CCO[C@@H]2CCCCO2)nc1C(F)(F)F	225639968	JAFUOBDMROQPGO-SECBINFHSA-N	309.244	2.353	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)nc1	24484631	XBAHMMUITDJHNI-UHFFFAOYSA-N	309.285	2.428	5	40	DEBB	
COc1ccc([C@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1	58356683	SGFNYKLTOUIELT-GFCCVEGCSA-N	315.333	2.317	5	40	DEBB	
Cc1ccc(Sc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1	78406462	BYAOFGLRQLJFJQ-UHFFFAOYSA-N	319.268	2.379	5	40	DEBB	
CCCC12CN3CC(C)(CN(C1)C3c1ccc([N+](=O)[O-])o1)C2=O	19322266	JOUSNILLSQTPJG-UHFFFAOYSA-N	319.361	2.193	5	40	DEBB	
COc1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])ccn1	40488997	DLJXKJQBDVLHPU-UHFFFAOYSA-N	301.302	2.237	5	40	DEBB	
O=C1C[C@H](Nc2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1	100837310	WDDYSLDORHSBDM-AWEZNQCLSA-N	311.297	2.339	5	40	DEBB	
O=C(C1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	48305743	QBXKXPQLVYFWOB-UHFFFAOYSA-N	303.362	2.434	5	40	DEBB	
Cc1ccc(C(=O)NCCC2CCN(C)CC2)cc1[N+](=O)[O-]	78578724	AYIBRUJOVHUKCE-UHFFFAOYSA-N	305.378	2.365	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCCCC1	6651780	XAYZQEKYDTZFPZ-UHFFFAOYSA-N	307.350	2.418	5	40	DEBB	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	265593321	GLIYCVYZKHJLNK-MWODSPESSA-N	305.290	2.421	5	40	DEBB	
O=C(OCc1cccnc1)c1cccc([N+](=O)[O-])c1C(=O)O	5588978	PQMXXVCSDQGKII-UHFFFAOYSA-N	302.242	2.045	5	40	DEBB	
O=c1nc(SCc2cccc([N+](=O)[O-])c2)nc2ccccn12	4499782	XCLAEPWVPIKNBO-UHFFFAOYSA-N	314.326	2.290	5	40	DEBB	
CCCN1CCC(NCc2cc3c(cc2[N+](=O)[O-])OCO3)CC1	61016352	VPEMFOHYTOMHFE-UHFFFAOYSA-N	321.377	2.288	5	40	DEBB	
COc1ccc2c(ccc3nc(CCC(=O)O)n(C)c(=O)c32)c1	1556814	AIJKFTFXWCXRAH-UHFFFAOYSA-N	312.325	2.113	5	40	DEBB	
CCONC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	36389838	NWWHGZJKFNUCEP-UKRRQHHQSA-N	319.361	2.194	5	40	DEBB	
O=C1N[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)Nc2ccccc21	2539524	SXIBLNKBKRTAQG-CQSZACIVSA-N	313.269	2.178	5	40	DEBB	
C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn[nH]c1	97141122	JWAOAWACLVQVGU-SECBINFHSA-N	314.305	2.219	5	40	DEBB	
CC(C)C(=O)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1	69418882	NBXFAQGOGOHVNP-UHFFFAOYSA-N	305.378	2.285	5	40	DEBB	
CCCOc1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cn1	69843928	TXJLKCZZBAPNIK-UHFFFAOYSA-N	305.338	2.433	5	40	DEBB	
Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccnc2ccccc12	97082203	ACTCBHZOBHNVCU-UHFFFAOYSA-N	323.312	2.050	5	40	DEBB	
O=C(NCc1cc(Cl)ccc1OC(F)F)[C@H]1C[C@H]1[N+](=O)[O-]	73363933	ICEKLILMAGKKKN-DTWKUNHWSA-N	320.679	2.223	5	40	DEBB	
CNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc(C)c1C	5144939	FAIGLLARHMRSQF-UHFFFAOYSA-N	323.330	2.478	5	40	DEBB	
Cc1ccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc1	77240673	JXDGUMOPYYUOCR-UHFFFAOYSA-N	313.313	2.266	5	40	DEBB	
O=C(CNC(=O)c1cccs1)OCc1ccc([N+](=O)[O-])cc1	6527131	FVJRMIBLAZXVPP-UHFFFAOYSA-N	320.326	2.130	5	40	DEBB	
Cc1cc(=O)n(C[C@@H](O)c2cccc(Cl)c2)cc1[N+](=O)[O-]	89568486	ZZYZUJVOYYIOGF-CYBMUJFWSA-N	308.721	2.452	5	40	DEBB	
COc1cc(C(=O)NCCc2cscn2)cc([N+](=O)[O-])c1C	191469218	FXOCLPAWCAOUFT-UHFFFAOYSA-N	321.358	2.341	5	40	DEBB	
Cc1ccncc1N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1	330033050	VVTOUKFJZBTSAG-UHFFFAOYSA-N	313.361	2.207	5	40	DEBB	
Cc1cc(CC(=O)O)c([N+](=O)[O-])cc1I	97447200	GYSGXRLELRTBCZ-UHFFFAOYSA-N	321.070	2.135	5	40	DEBB	
CN(CCNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1	12611830	WWNDFIVFHNDADY-UHFFFAOYSA-N	313.357	2.390	5	40	DEBB	
Cn1ncc2c1CCC[C@H]2NC(=O)Cc1ccccc1[N+](=O)[O-]	31592313	UFXBHKXIZCLANG-CYBMUJFWSA-N	314.345	2.065	5	40	DEBB	
Cc1cc([N+](=O)[O-])cn(CCN(C)Cc2ccc(F)cc2)c1=O	97377160	VYCRMPNXDNUMCV-UHFFFAOYSA-N	319.336	2.336	5	40	DEBB	
CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nccs1	97097377	HPKGNCBTGQRKDX-UHFFFAOYSA-N	307.331	2.422	5	40	DEBB	
O=[N+]([O-])c1ccc(Sc2nnnn2Cc2cccs2)nc1	23614848	ZYCAOHHOCDHSIT-UHFFFAOYSA-N	320.359	2.237	5	40	DEBB	
O=C(COC(=O)c1ccsc1)Nc1ccccc1[N+](=O)[O-]	25118256	ZLZZMMZRXCYYBK-UHFFFAOYSA-N	306.299	2.452	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)C(=O)NC2	69740332	AHTMUDQRJIRYGA-UHFFFAOYSA-N	311.297	2.399	5	40	DEBB	
Cn1nnnc1-c1cccc(NCc2ccccc2[N+](=O)[O-])c1	78972702	BMPPDEKSQLTHNI-UHFFFAOYSA-N	310.317	2.397	5	40	DEBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCN1CCCC1	13673991	ODBKJAFXQICVHP-RMKNXTFCSA-N	303.362	2.210	5	40	DEBB	
O=C(NCc1ccnc(N2CCCC2)c1)c1ccc([N+](=O)[O-])o1	40052551	RREMUCXGCBKPKF-UHFFFAOYSA-N	316.317	2.113	5	40	DEBB	
CCN1CCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1	58162674	SAAKCPIOWCPBTK-LBPRGKRZSA-N	306.366	2.448	5	40	DEBB	
CCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1	75110695	IIUKKARGAWCBAJ-UHFFFAOYSA-N	310.335	2.071	5	40	DEBB	
CCOC(=O)CNc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]	3844562	IEEYCWTVQIVSMO-UHFFFAOYSA-N	303.658	2.131	5	40	DEBB	biogenic
Cc1nn(C)c(N(C)Cc2ccc([S@](C)=O)cc2)c1[N+](=O)[O-]	96453915	CUHFUAPXZDSDCD-JOCHJYFZSA-N	322.390	2.011	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c([N+](=O)[O-])c1	169685372	BXVIFRVMCZKCFS-WJWBUKISSA-N	324.336	2.461	5	40	DEBB	
CCN(C[C@H]1CCOC1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1	58173817	NXZZHZGMXUAIES-LLVKDONJSA-N	307.350	2.135	5	40	DEBB	
COC(=O)c1cc(C(=O)OCc2ccccn2)cc([N+](=O)[O-])c1	10393991	WOMXISLRYUUGBQ-UHFFFAOYSA-N	316.269	2.133	5	40	DEBB	
C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nc[nH]n1	95455208	LNGNHAMXOKLCLG-YFKPBYRVSA-N	313.115	2.044	5	40	DEBB	
O=C(NC[C@H](O)c1ccco1)c1cc(Cl)ccc1[N+](=O)[O-]	95417255	FHQVLTCBFOXXDN-NSHDSACASA-N	310.693	2.305	5	40	DEBB	
Cc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]n1	89568611	ZVXWBZVCPPCGRS-UHFFFAOYSA-N	300.318	2.431	5	40	DEBB	
Cc1c(C(=O)NC[C@@H](C)Cn2ccnc2C)cccc1[N+](=O)[O-]	47937896	JPBZNTIXDCKTHV-LLVKDONJSA-N	316.361	2.474	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2cccs2)c1	107062604	POSWYWGDPOXOEB-CHWSQXEVSA-N	322.390	2.051	5	40	DEBB	
O=C1COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2N1	26757025	IRDKKNNNFDSPFE-UHFFFAOYSA-N	313.269	2.178	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	100178295	JPHFGKSBNFSTSP-MBIARJLFSA-N	310.309	2.152	5	40	DEBB	
NC(=O)c1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)cc1	12906377	LNMLQGMWDXYZLZ-UHFFFAOYSA-N	312.329	2.258	5	40	DEBB	
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCCc2ccccc21	69530954	VAKCHCFQAKTYDN-AWEZNQCLSA-N	314.345	2.375	5	40	DEBB	
Cc1nn([C@@H](C)C(=O)NCCc2cccs2)c(C)c1[N+](=O)[O-]	75104955	JGKUQRFNHRJIBF-NSHDSACASA-N	322.390	2.390	5	40	DEBB	
C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	71857394	FVQFTBATOCROEI-ONGXEEELSA-N	312.297	2.257	5	40	DEBB	
Cc1ccn(CCN(C)Cc2ccc(F)cc2)c(=O)c1[N+](=O)[O-]	97377178	LWJIVOKZGRNXKJ-UHFFFAOYSA-N	319.336	2.336	5	40	DEBB	
COc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	113818	UKSNOIQSGFWBBJ-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
O=C(Nn1cnnc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl	261052	GLLUVMDPDXITHM-UHFFFAOYSA-N	323.721	2.438	5	40	DEBB	
CC(C)OC(=O)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	32820838	UODUBDWFPHMERP-UHFFFAOYSA-N	314.725	2.320	5	40	DEBB	
O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2cnc3ccccc32)c1	26711313	HAHVSZVQQBUKTF-ZDUSSCGKSA-N	313.313	2.384	5	40	DEBB	
COc1cc(C(=O)NC2CC2)c([N+](=O)[O-])cc1OC(F)F	11544869	USVMWGHVWDBRDW-UHFFFAOYSA-N	302.233	2.097	5	40	DEBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc[nH]1	3430345	VGNSJOUMXBWYBT-VMPITWQZSA-N	300.270	2.362	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)NC2=O)o1	13546565	JFLVEEFAEPCWBY-GHXNOFRVSA-N	313.269	2.344	5	40	DEBB	
C[C@@H]1CC(=O)NN=C1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4178775	SDLLKVRCYZEZMS-LLVKDONJSA-N	316.361	2.445	5	40	DEBB	
COC(=O)CCCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	95979926	VWQUAJOTAOPBRA-UHFFFAOYSA-N	314.725	2.321	5	40	DEBB	
Cc1ccn2c(=O)cc(COc3cccc([N+](=O)[O-])c3)nc2c1	25399954	YAJRNAZOFYLGEF-UHFFFAOYSA-N	311.297	2.490	5	40	DEBB	
CC(C)OC(=O)c1ccc2c(c1)ncc1c(=O)nc(N)sc12	40174312	ZOCLZVZKFJVOIS-UHFFFAOYSA-N	315.354	2.352	5	40	DEBB	
CCN(CC(=O)NCc1ccco1)Cc1cccc([N+](=O)[O-])c1	30967257	TTZZXZDSPPNNHR-UHFFFAOYSA-N	317.345	2.326	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCCC[C@@H]1C	7467807	KXFQNWKBGITBHQ-NSHDSACASA-N	308.334	2.383	5	40	DEBB	
Cc1cc(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)n(C)n1	97086505	BOPMRQNGRXJTFY-UHFFFAOYSA-N	318.333	2.060	5	40	DEBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C1CCCCC1	95962365	KNLUNXORMXZAEJ-OAHLLOKOSA-N	306.362	2.195	5	40	DEBB	
COc1cc(C(=O)NCc2ccc(C)o2)c([N+](=O)[O-])cc1OC	15083221	NCAUNMNBKMOUKX-UHFFFAOYSA-N	320.301	2.443	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1[N+](=O)[O-]	169617922	CELZKNVTSCTQFY-AATNOEDMSA-N	324.336	2.461	5	40	DEBB	
O=c1cc(COc2ccc([N+](=O)[O-])cc2)nc2sccn12	3249794	USPHPFPFCAWBOS-UHFFFAOYSA-N	303.299	2.243	5	40	DEBB	
CCn1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1C	16048415	SHHWRTSNCHLMDY-UHFFFAOYSA-N	303.318	2.078	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCCC[C@H]1C	68818521	QZCNNHJFIPYVMA-LLVKDONJSA-N	307.350	2.416	5	40	DEBB	
O=C(NCCSC(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1	193686914	KONIVAMLZDGWDH-UHFFFAOYSA-N	310.253	2.283	5	40	DEBB	
Cc1cc(N2CCC[C@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1	58406789	GVJOBPRJYCXKPC-AWEZNQCLSA-N	314.345	2.321	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)c(C(=O)O)c1	20137245	OYVVQMNFQHWEAI-UHFFFAOYSA-N	316.269	2.180	5	40	DEBB	
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CCO)CC1	72270375	UENFXJYNBGRGTN-LBPRGKRZSA-N	321.377	2.016	5	40	DEBB	
Cc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	75106928	OWRNUTYGFWXUKL-UHFFFAOYSA-N	313.360	2.469	5	40	DEBB	
Cc1nn(C)c(NCCN2CCc3ccccc3C2)c1[N+](=O)[O-]	97474150	ZTAAVQGABJIYOT-UHFFFAOYSA-N	315.377	2.107	5	40	DEBB	
CCOc1cc(/C=C2/SC(=O)NC2=O)cc([N+](=O)[O-])c1O	15011628	KHGSTORHXXLQBR-WEVVVXLNSA-N	310.287	2.023	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O	169684116	XXEUORHXHOMNOK-GAQJKIJGSA-N	302.286	2.056	5	40	DEBB	
O=C1COc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1	22590169	LDIZZCOJIWIVIU-UHFFFAOYSA-N	313.269	2.178	5	40	DEBB	
CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	3271031	PAOSDHLTKRGLHP-UHFFFAOYSA-N	314.297	2.415	5	40	DEBB	
CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O	80646411	PZOWRVNGAHMIEW-SECBINFHSA-N	303.240	2.256	5	40	DEBB	
Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3s2)n1	89749793	XNPJKHNOJWFYFM-UHFFFAOYSA-N	303.303	2.190	5	40	DEBB	
COc1cccc(F)c1[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1	76063695	WTDBZSGAXBTXJY-ZETCQYMHSA-N	307.285	2.288	5	40	DEBB	
COc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	30953277	MMNNQOQASZORAQ-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
CNC(=O)c1cccc(CCNc2ncccc2[N+](=O)[O-])c1	77229254	MBQGSYWNVZTMMV-UHFFFAOYSA-N	300.318	2.004	5	40	DEBB	
Cc1cccc(-c2nc(Cn3cc([N+](=O)[O-])ccc3=O)no2)c1	32321339	OHGVNEKOROZVGM-UHFFFAOYSA-N	312.285	2.163	5	40	DEBB	
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1Cc2ccccc2C1	97085928	PKORFNCVBFTPDW-HNNXBMFYSA-N	314.341	2.350	5	40	DEBB	
C[C@@H]1CN=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S1	84715290	LMIIOBNHYFJLCV-LLVKDONJSA-N	306.391	2.208	5	40	DEBB	
Cc1ccc([C@@H](C)NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)o1	23305310	CUOYPMABJYGLME-SECBINFHSA-N	306.322	2.187	5	40	DEBB	
O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cccc([N+](=O)[O-])c1	4941156	ZEZSYOKCVFCNSQ-CQSZACIVSA-N	320.345	2.400	5	40	DEBB	
Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc(C)c1[N+](=O)[O-]	4697281	WWJXWLZSRMJTTR-LBPRGKRZSA-N	308.334	2.441	5	40	DEBB	
O=C(O)c1cc([N+](=O)[O-])c(NCc2ccco2)c([N+](=O)[O-])c1	26508894	GPLKFXQKXGXEGD-UHFFFAOYSA-N	307.218	2.406	5	40	DEBB	
CCc1nc2c(s1)[C@@H](NCCn1cc([N+](=O)[O-])cn1)CCC2	90539990	LQVAHYJGHHISAE-NSHDSACASA-N	321.406	2.477	5	40	DEBB	
COC(=O)COc1c(C)cc(Br)cc1[N+](=O)[O-]	89065182	CFVIWXBRKCPIOJ-UHFFFAOYSA-N	304.096	2.218	5	40	DEBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccco1	35275799	VARZYGWVZYQHIA-UHFFFAOYSA-N	307.287	2.020	5	40	DEBB	
Cc1c(I)c([N+](=O)[O-])nn1C(F)F	72339378	RYVALLFUHGVGFY-UHFFFAOYSA-N	303.006	2.099	5	40	DEBB	
O=C(NC1C[C@@H]2CC[C@H](C1)N2C1CC1)c1ccc([N+](=O)[O-])cc1	35312305	WBTNRRAIGOEEIY-SFESLNEESA-N	315.373	2.482	5	40	DEBB	
Cc1cnc(OCC(=O)NCc2ccccc2C)c([N+](=O)[O-])c1	96451060	YLPFADJKDLCFJA-UHFFFAOYSA-N	315.329	2.302	5	40	DEBB	
O=C(NCCc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2	3148972	GAFLETMWTFEHFN-UHFFFAOYSA-N	314.297	2.296	5	40	DEBB	
C[C@@H](CO)S[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	72302597	LOLHBIYVUSYDSR-YUMQZZPRSA-N	302.327	2.175	5	40	DEBB	
C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H]2CC[C@@H]1C2	101616059	YKJSYULAWIYHAE-BYNQJWBRSA-N	306.366	2.122	5	40	DEBB	
Cc1noc(C)c1[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-]	95468175	SUMOPAYHMIALAF-SSDOTTSWSA-N	304.306	2.273	5	40	DEBB	
COc1nc(OC)nc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1	376991	ZRSTTYFRZMZZMS-UHFFFAOYSA-N	312.669	2.243	5	40	DEBB	
NC(=O)c1ccc(CN2CCc3ccccc3C2)c([N+](=O)[O-])c1	27269550	ZTZIKGCQGUNQFA-UHFFFAOYSA-N	311.341	2.252	5	40	DEBB	
CCOc1ccc([C@@H](C)N[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-]	95982171	FUKPZKRVBGTFFG-YPMHNXCESA-N	321.377	2.265	5	40	DEBB	
O=C1O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc21	4291939	UXJNTXADZJKKJT-AWEZNQCLSA-N	312.281	2.315	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)C1	36576570	JECVOHGLNGYZSU-GUTXKFCHSA-N	308.378	2.312	5	40	DEBB	
C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H](c2ccc(F)cc2)O1	107060448	FFFKAUZSMRGEDX-GWCFXTLKSA-N	320.324	2.434	5	40	DEBB	
Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	58368797	ALFYQODAPCXELB-WCQYABFASA-N	314.301	2.181	5	40	DEBB	
Cc1nc(CNc2ccc(Br)cc2[N+](=O)[O-])n[nH]1	69817200	KZUJXNPKXAAQQH-UHFFFAOYSA-N	312.127	2.396	5	40	DEBB	
CNC(=O)c1cccc(CCNc2ncc([N+](=O)[O-])cc2C)c1	77229244	JCFMJOCSEAQNHC-UHFFFAOYSA-N	314.345	2.312	5	40	DEBB	
Cc1nn(CCNC(=O)c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-]	2798324	DBFMOPAKDBNUOG-UHFFFAOYSA-N	322.752	2.492	5	40	DEBB	
Cc1ccc(NC(=O)CSc2ncccn2)cc1[N+](=O)[O-]	3474887	DSAVWLVIWPROFE-UHFFFAOYSA-N	304.331	2.424	5	40	DEBB	
C[C@@H](NC(=O)CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H]2CC[C@@H]1C2	101997962	OORRNYREZRRNPB-FDYHWXHSSA-N	306.366	2.122	5	40	DEBB	
CC1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCCCC3)n2)CC1	5111989	BPAIEUCCHHMSHJ-UHFFFAOYSA-N	320.397	2.194	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCc2[nH]ncc2C1	97103729	DTCHVOBFBBNPAS-LLVKDONJSA-N	315.333	2.305	5	40	DEBB	
CC(C)[C@@H](CCO)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12	96487449	ACMJFTMTTIDTIQ-CYBMUJFWSA-N	317.345	2.280	5	40	DEBB	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](Oc2ccccc2)C1	97031931	BTILTVLPZBWVGQ-LBPRGKRZSA-N	316.317	2.002	5	40	DEBB	
Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC(C)C)ccc1[N+](=O)[O-]	69456097	JYIKZIMICXOKCQ-AWEZNQCLSA-N	319.361	2.032	5	40	DEBB	
CC(=O)Nc1ccccc1Nc1ccc(C(N)=O)cc1[N+](=O)[O-]	8747390	PZLQKEHDXVVGMB-UHFFFAOYSA-N	314.301	2.396	5	40	DEBB	
Cn1cc(I)c2c([N+](=O)[O-])ccnc21	90469381	IBSQIBJAAZAPON-UHFFFAOYSA-N	303.059	2.086	5	40	DEBB	
C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)O1	17325123	HAZOLCNCGYCMKH-PHIMTYICSA-N	319.361	2.419	5	40	DEBB	
O=c1ccn(Cc2cn3cc(Cl)ccc3n2)cc1[N+](=O)[O-]	89808148	QYXAKBIDVWNJKO-UHFFFAOYSA-N	304.693	2.106	5	40	DEBB	
O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)NCc1ccoc1	58247347	WKBCGIJLHOAJGG-OWOJBTEDSA-N	316.269	2.246	5	40	DEBB	
COc1ccc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cc1OC	4177229	VFZWFPLGVTZWTQ-UHFFFAOYSA-N	323.330	2.250	5	40	DEBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3ccccc3)cc21	9355194	VZKCPCXBYKRRDV-UHFFFAOYSA-N	312.329	2.397	5	40	DEBB	
Cc1nn([C@@H](C)c2nnc3n2CCCCC3)c(C)c1[N+](=O)[O-]	72334171	XKEJDPXJDBKQQD-NSHDSACASA-N	304.354	2.335	5	40	DEBB	
Cc1nc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C	72665145	ZRXRZGXOQPKQFR-GFCCVEGCSA-N	317.349	2.281	5	40	DEBB	
Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1	5024472	WIRZZFYNWOJOGW-UHFFFAOYSA-N	316.317	2.322	5	40	DEBB	
CCCS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	95990495	CRFFYMWPYVQZEC-UHFFFAOYSA-N	310.335	2.137	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C)o1	33481901	KNSMQNHFWODGIW-UHFFFAOYSA-N	324.318	2.026	5	40	DEBB	
CNc1ccc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cn1	252491819	LVFLQBKRBSXHRL-UHFFFAOYSA-N	317.305	2.265	5	40	DEBB	
Cc1nn(CCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-]	102599061	LWQZJAQNSPYGOE-DOERSZECSA-N	320.393	2.431	5	40	DEBB	
O=[N+]([O-])c1c(N2CCN(C3CCCC3)CC2)nc2ccccn12	12544679	YVLDIYUCIKEAQY-UHFFFAOYSA-N	315.377	2.307	5	40	DEBB	
CS(=O)(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	29622045	QQSFASSQZZBKRH-UHFFFAOYSA-N	309.303	2.154	5	40	DEBB	
O=[N+]([O-])c1ccc(NCC[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1	69892909	GCPFDSCKLXGTRO-VIFPVBQESA-N	309.200	2.228	5	40	DEBB	
Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])[nH]c2c1	71845424	FHJKZSDASAMDPP-BPNCWPANSA-N	314.345	2.200	5	40	DEBB	
C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1	95417784	AZYKOCRDTNBZMY-CMPLNLGQSA-N	304.302	2.430	5	40	DEBB	
CC(C)C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1	73134406	HJPSRIVIXXMFPM-LBPRGKRZSA-N	308.334	2.188	5	40	DEBB	
CN1CCN(C(=O)c2cccc3nc4ccccc4nc23)CC1	33573636	OEBHRWDGDAFIHG-UHFFFAOYSA-N	306.369	2.171	5	40	DEBB	
O=[N+]([O-])c1ccc(CN2CCOCC2)c(Br)c1	73639545	NJLIPPSYCWKCSF-UHFFFAOYSA-N	301.140	2.190	5	40	DEBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)c1ccccc1F	96445801	HIQUGMSXLBXXPT-HNNXBMFYSA-N	318.304	2.126	5	40	DEBB	
CCS(=O)(=O)[C@@](C)(Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1	96520396	YWDMWLXRXDQEGY-WDEREUQCSA-N	307.755	2.018	5	40	DEBB	
CC(C)(CNc1ccc([N+](=O)[O-])cc1Br)C(N)=O	96429195	ZPBFVSQQJPZUQY-UHFFFAOYSA-N	316.155	2.281	5	40	DEBB	
CC(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1	96454500	ZKAPOWSTMFBAQE-BBRMVZONSA-N	306.362	2.315	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(NCc2ccc(S(N)(=O)=O)cc2)c1	84726185	RPRNQJIOVOZQJG-UHFFFAOYSA-N	321.358	2.163	5	40	DEBB	
C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H]2CC[C@@H]1C2	101616055	YKJSYULAWIYHAE-SFTQSGBHSA-N	306.366	2.122	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N1CCC(c2ccc(O)cc2)CC1	29530990	BIEQPSRAGNKLDW-UHFFFAOYSA-N	302.334	2.418	5	40	DEBB	
CC(C)(C)Nc1c([N+](=O)[O-])ccc2c1=NC1(CCCCC1)[N+]=2[O-]	4551278	AFBAUCIRKZNOEI-UHFFFAOYSA-N	318.377	2.088	5	40	DEBB	
NC(=O)c1cn(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12	216960747	GJOHRFWAQCHLFO-UHFFFAOYSA-N	309.281	2.337	5	40	DEBB	
CCCn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	79361331	HXJWSJAURSTSIF-UHFFFAOYSA-N	324.362	2.311	5	40	DEBB	
O=C(Nc1cc[nH]n1)c1ccc(Br)cc1[N+](=O)[O-]	79799469	JROJXKKDIBYQAR-UHFFFAOYSA-N	311.095	2.333	5	40	DEBB	
Cc1ccccc1-n1c2nc(=O)n(C)c(=O)c-2cc2ccccc21	78522	DJHIOEKUXPOFCL-UHFFFAOYSA-N	317.348	2.498	5	40	DEBB	
Cc1ccccc1CN(C)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C	8986302	YGXPMNWKAFDTTK-UHFFFAOYSA-N	316.361	2.375	5	40	DEBB	
CC(C)OC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1	70462350	ZNSSVRFIOSURJO-UHFFFAOYSA-N	308.319	2.429	5	40	DEBB	
CCn1nc(C)c([N+](=O)[O-])c1Sc1nnc(N(C)C)s1	192582492	GTYADFJZBYJXBB-UHFFFAOYSA-N	314.396	2.188	5	40	DEBB	
CNS(=O)(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2)c1	239636949	BHSDCYWVFYWPBE-UHFFFAOYSA-N	321.358	2.115	5	40	DEBB	
O=c1nc2n(-c3cccc(F)c3)c3ccccc3cc-2c(=O)[nH]1	5387718	FUQNOQFXSWHXJS-UHFFFAOYSA-N	307.284	2.318	5	40	DEBB	
NC(=O)c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1F	33062713	ZLTKKIVXSTYCDA-UHFFFAOYSA-N	317.276	2.014	5	40	DEBB	
C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn[nH]c1	97141120	JWAOAWACLVQVGU-VIFPVBQESA-N	314.305	2.219	5	40	DEBB	
Nc1c(C(=O)N2CCC[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-]	95408023	DUOWTERRDVHLKF-MRXNPFEDSA-N	319.361	2.210	5	40	DEBB	
N=c1sccn1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	5858326	FYKUCZFBHWJHFZ-UHFFFAOYSA-N	312.738	2.229	5	40	DEBB	
O=C1O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc21	4291938	UXJNTXADZJKKJT-CQSZACIVSA-N	312.281	2.315	5	40	DEBB	
COc1cc(N[C@@H](C)c2nnc3n2CCC3)ccc1[N+](=O)[O-]	97115245	NADCNWOMCQLCNF-VIFPVBQESA-N	303.322	2.314	5	40	DEBB	
CC(=O)N1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1	63527633	IWVIAQLHDJJNHR-QGZVFWFLSA-N	317.389	2.429	5	40	DEBB	
COc1ccc(CSCc2nnnn2C2CC2)cc1[N+](=O)[O-]	78555679	OJSMRMDJMYOLKA-UHFFFAOYSA-N	321.362	2.358	5	40	DEBB	
O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC2(CCC2)C1	97376246	IFRLIVWJPNIAKN-UHFFFAOYSA-N	310.375	2.301	5	40	DEBB	
COC(=O)[C@](C)(Br)Cc1cccc([N+](=O)[O-])c1	5214594	RPDUHBRAXKPRIG-LLVKDONJSA-N	302.124	2.464	5	40	DEBB	
CCOC(=O)[C@@H](C)Oc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-]	151046	HYBLTDNQRAZTNX-SECBINFHSA-N	321.285	2.340	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCCN(C)C3)C2)c1	63527736	VGOOEIAZLFZIRF-KRWDZBQOSA-N	317.389	2.461	5	40	DEBB	
COc1cccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cn2)c1	23042847	XZBJLOYFNJFFAH-UHFFFAOYSA-N	316.317	2.073	5	40	DEBB	
CCc1n[nH]c(Sc2ccc(C(=O)OC)cc2[N+](=O)[O-])n1	70462360	SAAPQOKYAQVUOJ-UHFFFAOYSA-N	308.319	2.213	5	40	DEBB	
CN1CCC2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C1	96268535	LQGSUIZVLSMIEX-UHFFFAOYSA-N	303.362	2.153	5	40	DEBB	
CO[C@@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2C)n1	96449446	DBGGHZYRMDECHY-VIFPVBQESA-N	307.310	2.025	5	40	DEBB	
COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCc1cscn1	37226493	QCGWJDCBTNENHU-UHFFFAOYSA-N	310.287	2.337	5	40	DEBB	in-vitro
O=C(CNc1ccccc1[N+](=O)[O-])NCCc1cccc(O)c1	95427647	JEQWBBJMUGTJIJ-UHFFFAOYSA-N	315.329	2.071	5	40	DEBB	
CCCc1nnc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)s1	89960568	FHFZAMWULUVBOW-UHFFFAOYSA-N	314.754	2.262	5	40	DEBB	
O=[N+]([O-])c1cn(S(=O)(=O)c2ccccc2)c2ncccc12	95920007	RHRGOHQEYKNIDU-UHFFFAOYSA-N	303.299	2.182	5	40	DEBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1	102568785	WEGIZRZHRSLDFI-KKOKHZNYSA-N	306.366	2.366	5	40	DEBB	
CC(C)(C)NC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1	95452525	PZLWOYRNPQOERK-UHFFFAOYSA-N	302.334	2.373	5	40	DEBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1cccnc1Cl	5970814	OOLGEUPQYWOHFB-UHFFFAOYSA-N	308.681	2.056	5	40	DEBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	1622822	IHZVFZOUXUNSPQ-UHFFFAOYSA-N	308.271	2.336	5	40	DEBB	in-vivo
O=[N+]([O-])c1c(N2CCC3(CC2)OCCO3)ccc2ncccc12	51765633	VDYXETPIVDTGBV-UHFFFAOYSA-N	315.329	2.486	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1cccc(O)c1	2787707	GMMBLVPGFSXOAF-VIFPVBQESA-N	304.306	2.080	5	40	DEBB	
COC[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	22609186	DUBADPMWYRXCPL-ZDUSSCGKSA-N	324.380	2.306	5	40	DEBB	
Cc1nn(C)c(C)c1NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-]	7549302	VMNZEJCXQIPJLZ-NSHDSACASA-N	318.333	2.351	5	40	DEBB	
CCOc1ccc(CNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1C	71896716	HKAVNNQLYMFXDO-UHFFFAOYSA-N	318.333	2.263	5	40	DEBB	
O=C1c2ccccc2C(=O)N1CCNc1ccccc1[N+](=O)[O-]	4367207	AQIVZQADPUXAGC-UHFFFAOYSA-N	311.297	2.303	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1	3151713	HJAJCHSWQFTNAR-UHFFFAOYSA-N	323.286	2.304	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1[N+](=O)[O-]	100179709	CELZKNVTSCTQFY-GNIGRLLJSA-N	324.336	2.461	5	40	DEBB	
Cc1ccc(C(=O)OCC(=O)N2CCCCCC2)cc1[N+](=O)[O-]	7035848	UGIDDZARZZHPKY-UHFFFAOYSA-N	320.345	2.463	5	40	DEBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1C(N)=O	69571580	LMNHYEKYKLUPQV-CQSZACIVSA-N	321.377	2.222	5	40	DEBB	
C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(F)c1	97032986	KABUUTDHAUXMTJ-SNVBAGLBSA-N	323.299	2.386	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	222259047	JEBWFSNKIKHTIJ-FBTNWIDXSA-N	310.309	2.152	5	40	DEBB	
Cc1c(CN2CC[C@@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-]	96424607	WUGDHHXPXUSOFV-HNNXBMFYSA-N	319.405	2.057	5	40	DEBB	
Cc1cc(C)n(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])n1	101548427	YNBFJUGFNNAYJU-UHFFFAOYSA-N	307.222	2.214	5	40	DEBB	
Cc1cc(NC(=O)Cn2ccsc2=N)c([N+](=O)[O-])cc1C	6607658	YHLQAJQVPQERFX-UHFFFAOYSA-N	306.347	2.193	5	40	DEBB	
COC(=O)CCS[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	7658640	OGKXRMYGISKCAQ-SECBINFHSA-N	312.347	2.218	5	40	DEBB	
CC(C)[C@H](CCO)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12	96487450	ACMJFTMTTIDTIQ-ZDUSSCGKSA-N	317.345	2.280	5	40	DEBB	
O=C(O)c1cn(-c2ccccc2[N+](=O)[O-])nc1C(F)(F)F	575441594	GKLZJOAOWJYFHN-UHFFFAOYSA-N	301.180	2.498	5	40	DEBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl	27587955	SIIWGCRXCLKDRH-UHFFFAOYSA-N	313.722	2.444	5	40	DEBB	
O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccccc1	3290433	LBLORJDTPLUUSO-UHFFFAOYSA-N	314.297	2.068	5	40	DEBB	
CCc1ccccc1NC(=O)Cn1ccc(C)c([N+](=O)[O-])c1=O	95414747	MOIJWTOTXMFUMV-UHFFFAOYSA-N	315.329	2.266	5	40	DEBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)c1ccccn1	58016551	QRSWPNZYLITNSR-UHFFFAOYSA-N	307.331	2.123	5	40	DEBB	
CCOC(=O)/C(C(=S)Nc1ccc([N+](=O)[O-])cc1)=C(\C)N	102258356	UGESVTVKBYTYHA-DHZHZOJOSA-N	309.347	2.130	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2F)cc1	7214093	YPFOEWKGOIOWCX-UHFFFAOYSA-N	310.306	2.212	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[C@@H]2C3)c1	100481909	RISXEBLJZJBHLM-IJLUTSLNSA-N	310.375	2.309	5	40	DEBB	
Cc1cc(NC(=O)CSc2nncn2C)c([N+](=O)[O-])cc1C	5126783	KMFACYRUVRFUAE-UHFFFAOYSA-N	321.362	2.071	5	40	DEBB	
Cc1nn(C)c(NC[C@@H]2CC(=O)Nc3ccccc32)c1[N+](=O)[O-]	75094620	CGIPAYPXXSOHFA-JTQLQIEISA-N	315.333	2.175	5	40	DEBB	
O=C(NCCCO)c1ccc2[nH]c3nc4ccccc4nc3c2c1	408974825	FDLVIIOIUMHVLV-UHFFFAOYSA-N	320.352	2.377	5	40	DEBB	
Cc1nn([C@H](C)c2nnc3n2CCCCC3)c(C)c1[N+](=O)[O-]	72334172	XKEJDPXJDBKQQD-LLVKDONJSA-N	304.354	2.335	5	40	DEBB	
C[C@@H](Cn1cccn1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	31391265	ZHBMDSWUDITAOI-VIFPVBQESA-N	308.725	2.263	5	40	DEBB	
CC1=C([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)N(C)C(=O)N1C	3106579	IAMSZHQLMMHAMS-GFCCVEGCSA-N	306.278	2.141	5	40	DEBB	
O=C(NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1	48367098	YJVIFGBKLZGFQX-UHFFFAOYSA-N	317.389	2.128	5	40	DEBB	
Cc1nn(C)c(NC[C@@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-]	75134698	VWDMTIXYKMLZGF-ZDUSSCGKSA-N	321.356	2.491	5	40	DEBB	
CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1	25424142	CDBAYSXUQDUKRF-HNNXBMFYSA-N	302.330	2.471	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(O)c(C(=O)O)c1	75285844	WDJDITBIOSHZAY-UHFFFAOYSA-N	316.269	2.180	5	40	DEBB	
Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1	5002800	RZTYHMOGMPYPFQ-UHFFFAOYSA-N	308.315	2.410	5	40	DEBB	
Cc1ccc(NC(=O)COc2cccnc2[N+](=O)[O-])cc1F	8232223	LXCLJJKFTMYKAV-UHFFFAOYSA-N	305.265	2.455	5	40	DEBB	
Cc1nn(CCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	101614621	LWQZJAQNSPYGOE-FMKGYKFTSA-N	320.393	2.431	5	40	DEBB	
COc1ccccc1CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21	14382540	YXCZULHMFNRMSP-UHFFFAOYSA-N	312.281	2.333	5	40	DEBB	
CCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C	9328520	ZHOLPCIBMMZFES-UHFFFAOYSA-N	321.362	2.017	5	40	DEBB	
Cc1c(CC(=O)N(C)[C@@H](CO)C(C)(C)C)cccc1[N+](=O)[O-]	195561512	UMBBGRRJYBSKAY-AWEZNQCLSA-N	308.378	2.311	5	40	DEBB	
C[C@H](CCS(C)(=O)=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1	95969386	MRVXSYYPFRAPTO-GHMZBOCLSA-N	300.380	2.069	5	40	DEBB	
CC(C)(O)[C@@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1	97114386	DQCDKCOHNATMEZ-ZDUSSCGKSA-N	307.350	2.040	5	40	DEBB	
Cc1cc(S(=O)(=O)N(C)Cc2ccncc2)ccc1[N+](=O)[O-]	71909098	NQDASVOOTIDNJN-UHFFFAOYSA-N	321.358	2.119	5	40	DEBB	
CN(C[C@@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cn1	71902797	MKSTYKRPHJIGLZ-OAHLLOKOSA-N	317.345	2.004	5	40	DEBB	
COC(=O)c1cc(NCCCn2cccn2)cc(C)c1[N+](=O)[O-]	95409565	ZNFUUDSSPGBXQP-UHFFFAOYSA-N	318.333	2.389	5	40	DEBB	
O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H]1CCc2ccccc2C1	77943153	DGBWYMCOKUJGNW-OAHLLOKOSA-N	315.329	2.282	5	40	DEBB	
O=C(O)/C(=C/c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	3137305	PURQOHQVLSHXSS-UVTDQMKNSA-N	312.281	2.450	5	40	DEBB	
Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1[N+](=O)[O-]	40536313	MZOMRFAYVMOLCL-CYBMUJFWSA-N	321.377	2.136	5	40	DEBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2nc[nH]c12	79015733	VOIPSONAZHNTCF-UHFFFAOYSA-N	318.314	2.272	5	40	DEBB	
O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	102595424	XXEUORHXHOMNOK-ZFWZSOMGSA-N	302.286	2.056	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOc2ccccc2C1	80439798	IKZLHLITZVBPJX-UHFFFAOYSA-N	314.297	2.335	5	40	DEBB	
CNC(=O)COc1cccc(Oc2ccc([N+](=O)[O-])c(C)n2)c1	301953168	JRGNNMVJGCEUHC-UHFFFAOYSA-N	317.301	2.215	5	40	DEBB	
Cn1cc([N+](=O)[O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)n1	4548277	YZJLEACOFKASNZ-UHFFFAOYSA-N	304.350	2.027	5	40	DEBB	
O=C(O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)F)[nH]1	216904613	KQVFKNLKJFUJQE-UHFFFAOYSA-N	316.245	2.500	5	40	DEBB	
Cc1cnc([C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C2CC2)s1	96427246	QAZMATCWYLZQKW-SECBINFHSA-N	306.351	2.295	5	40	DEBB	
O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1	100939079	OQSWETMHRSXTCJ-AUZPSNTRSA-N	317.297	2.161	5	40	DEBB	
Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Cl	17053561	GOQNVJQEBVMSQD-UHFFFAOYSA-N	315.738	2.299	5	40	DEBB	
COc1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)on1	97108908	FIFHCRQJHBOMLF-UHFFFAOYSA-N	303.274	2.184	5	40	DEBB	
COC[C@@](C)(NC(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	76091240	PEHOSBBZZAXTHQ-LLVKDONJSA-N	306.240	2.292	5	40	DEBB	
COc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	5661644	HGZFDIACWPGCCW-UHFFFAOYSA-N	309.299	2.371	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O	100184467	VHKRHDANWAQKGM-GNIGRLLJSA-N	324.336	2.461	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C1	4306066	GIITUDGEKXIGEE-GHMZBOCLSA-N	320.397	2.050	5	40	DEBB	
CCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1	65711646	VUJTWJBMCDHVON-UHFFFAOYSA-N	304.306	2.137	5	40	DEBB	
C[C@H](O)CNC(=O)c1cccc(Oc2ccccc2[N+](=O)[O-])c1	69975322	YIUGACFELFOIRM-NSHDSACASA-N	316.313	2.498	5	40	DEBB	
CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	5645261	ZOOKVDHZQPXOPX-UHFFFAOYSA-N	307.306	2.304	5	40	DEBB	
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCc2ccccc21	33055230	FRPZNPIJEFIXBV-NSHDSACASA-N	315.329	2.369	5	40	DEBB	
C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(F)cc1F	2794439	WJYLJNDQVOCLOL-MRVPVSSYSA-N	310.260	2.344	5	40	DEBB	
O=C(NCCOc1ccc2ccccc2c1)[C@H]1C[C@@H]1[N+](=O)[O-]	47272248	LOKKNEHJINGQCZ-GJZGRUSLSA-N	300.314	2.000	5	40	DEBB	
O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CC1	35127860	GLUVMONVXWQOTI-UHFFFAOYSA-N	303.240	2.304	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c1	40945812	ODFYBQONMXQKNR-UHFFFAOYSA-N	323.286	2.304	5	40	DEBB	
CC(C)(O)[C@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1	97114387	DQCDKCOHNATMEZ-CYBMUJFWSA-N	307.350	2.040	5	40	DEBB	
CCOC[C@H](O)COc1cc([N+](=O)[O-])ccc1Br	225570990	HKQCCBMIHNOQSZ-VIFPVBQESA-N	320.139	2.134	5	40	DEBB	
COC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])o2)cc1	3232987	QPDKRTXPIBCBAD-UHFFFAOYSA-N	305.242	2.331	5	40	DEBB	
Cc1nc(CNC(=O)COc2ccccc2[N+](=O)[O-])cs1	15832172	MNDDTABWXQOEDS-UHFFFAOYSA-N	307.331	2.055	5	40	DEBB	
Cc1cnc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)s1	31736750	XPMIRHLPGUUCGK-UHFFFAOYSA-N	317.330	2.348	5	40	DEBB	
O=c1oc2ccccc2cc1-n1nnc2cc([N+](=O)[O-])ccc21	1612548	HJTGLHKBJWOBPO-UHFFFAOYSA-N	308.253	2.435	5	40	DEBB	
COc1ccccc1NP1(=O)OCC(C)([N+](=O)[O-])CO1	1704618	YDGGBMMXHDRYNT-UHFFFAOYSA-N	302.223	2.297	5	40	DEBB	
COc1ccc(NC(=O)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	4902664	QHHJZFSEIQVRSY-LLVKDONJSA-N	307.350	2.274	5	40	DEBB	
O=C(Cc1cccc(F)c1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	24151380	QHTCFXQFEYUHEA-OAHLLOKOSA-N	318.304	2.126	5	40	DEBB	
O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC[C@H](c2cn[nH]c2)C1	97080103	SETWFBKDIXXVMW-NSHDSACASA-N	316.317	2.043	5	40	DEBB	
Cc1nn(C)c(NC2CCN(C(=O)CC(C)C)CC2)c1[N+](=O)[O-]	78987892	QCXHKWSZMRAJGB-UHFFFAOYSA-N	323.397	2.086	5	40	DEBB	
COc1c(I)ccc([N+](=O)[O-])c1[N+](=O)[O-]	73634726	KIPSYISWECREOX-UHFFFAOYSA-N	324.030	2.116	5	40	DEBB	
C[C@H](NC(=O)N[C@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1	78940515	WIHAAWHYYUBSLI-WDEREUQCSA-N	317.349	2.450	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1	20405579	DUIANPYLCHPGOH-UHFFFAOYSA-N	302.309	2.456	5	40	DEBB	
Nn1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(Cl)cc2c1=O	3131513	PZHNKZWOLDIKKD-UHFFFAOYSA-N	316.704	2.339	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1	55546540	GPEQKXIEUFXWLA-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
CN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(N2CCCC2)n1	5197031	ZOVAMRLTLKBCQB-UHFFFAOYSA-N	314.349	2.335	5	40	DEBB	
CCOc1ccc(F)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1	66493020	YKFHIGITIQZCBG-UHFFFAOYSA-N	322.296	2.358	5	40	DEBB	
COc1cc(C(=O)NCCCCCCC(=O)O)ccc1[N+](=O)[O-]	95970464	MUDUEYVHQKMUNQ-UHFFFAOYSA-N	324.333	2.368	5	40	DEBB	
Cn1c(=O)nc2n(-c3cccc(F)c3)c3ccccc3cc-2c1=O	179729	XQKOXSUCQPNVPY-UHFFFAOYSA-N	321.311	2.328	5	40	DEBB	
CC(C)(C)C1CCC(OC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	4124607	DJYKREWLJFTORF-UHFFFAOYSA-N	310.354	2.334	5	40	DEBB	
CN(Cc1ccccc1[N+](=O)[O-])c1cncc(-n2cccn2)n1	48312215	RHYLLRNEEKWGFA-UHFFFAOYSA-N	310.317	2.207	5	40	DEBB	
CN(C)c1nccc(CNc2ncc([N+](=O)[O-])cc2Cl)n1	95463006	WKXLATYKVCZAQI-UHFFFAOYSA-N	308.729	2.111	5	40	DEBB	
Cc1ccccc1OC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	4534992	SRVMWUBIJONYLG-UHFFFAOYSA-N	318.310	2.431	5	40	DEBB	
Cc1cc(N)nc(SCCOc2ccccc2[N+](=O)[O-])n1	53563124	KZSCCGCIXMJIHD-UHFFFAOYSA-N	306.347	2.447	5	40	DEBB	
O=[N+]([O-])c1ccccc1CSc1nnnn1C1CCOCC1	69810878	NVMRFVSONUSUHP-UHFFFAOYSA-N	321.362	2.225	5	40	DEBB	
CC(C)Cn1nccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1	195561468	UCUFIHVXRNBEIA-UHFFFAOYSA-N	304.306	2.405	5	40	DEBB	
O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3ccccn3)C2)nc1	96443414	BSTMIUYPNMBMNI-CQSZACIVSA-N	313.361	2.114	5	40	DEBB	
O=[N+]([O-])c1ccc(NCC2(O)CCOCC2)c2ncccc12	84490534	FJKSMUGEMOVWQG-UHFFFAOYSA-N	303.318	2.096	5	40	DEBB	
O=[N+]([O-])c1ccnn1C[C@@H](O)COc1ccc2ccccc2c1	58416657	ONJHLUOWSIAGBU-CQSZACIVSA-N	313.313	2.384	5	40	DEBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccccn1	13215469	AELNANWAIAXREW-UHFFFAOYSA-N	303.343	2.398	5	40	DEBB	
Cc1c(CC(=O)N2CCC[C@H]2C(C)(C)O)cccc1[N+](=O)[O-]	195547577	VHAPVUBKUSFVAS-AWEZNQCLSA-N	306.362	2.208	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NC(C)=O)o1	85346801	MRFOZCJXUKLUFW-UHFFFAOYSA-N	304.258	2.140	5	40	DEBB	
O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1cccc([N+](=O)[O-])c1	101560689	PHOVMYDPKYLMOF-COPLHBTASA-N	316.313	2.289	5	40	DEBB	
O=C(Nc1nccs1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	2767370	KCCSMMMRSNRHGP-UHFFFAOYSA-N	319.302	2.141	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1N[C@H]1c1ccc([N+](=O)[O-])cc1	1686021	MDYONHHLJLMUBM-KBPBESRZSA-N	313.269	2.399	5	40	DEBB	
Cc1nc(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)cs1	27991630	PVZRNLMHLXGFJJ-UHFFFAOYSA-N	321.358	2.097	5	40	DEBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1c(F)cccc1F	2625922	WSAIOZQZDNVLND-UHFFFAOYSA-N	309.228	2.286	5	40	DEBB	
CN(C)c1cccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c1	97235330	AAXIQUNCTGYCFG-UHFFFAOYSA-N	314.345	2.173	5	40	DEBB	
Cc1nc(NC(=O)c2cccc(-n3cccn3)n2)ccc1[N+](=O)[O-]	96475304	ZDNIAJDAACUQJL-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
CC(=O)Nc1cc(Br)c([N+](=O)[O-])c(C(=O)O)c1	14981991	UZLSHBJYAVDGCA-UHFFFAOYSA-N	303.068	2.014	5	40	DEBB	
CC(C)NC(=O)c1ccc(NC2CCC(O)CC2)c([N+](=O)[O-])c1	78359729	YOTJWYSNGLASIM-UHFFFAOYSA-N	321.377	2.448	5	40	DEBB	
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](O)C2)cc1[N+](=O)[O-]	84190179	KANCWFCOBNBQHL-DGCLKSJQSA-N	307.350	2.131	5	40	DEBB	
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](O)C2)cc1[N+](=O)[O-]	84190182	KANCWFCOBNBQHL-WCQYABFASA-N	307.350	2.131	5	40	DEBB	
Cc1noc(CCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n1	97380017	DUDXEFXHYFLDGA-UHFFFAOYSA-N	319.321	2.267	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1N1CC=C(c2ccc(O)cc2)CC1	70010404	GPAPZGJMWRNUQJ-UHFFFAOYSA-N	300.318	2.328	5	40	DEBB	
Cc1ncc([N+](=O)[O-])n1Cc1cn(-c2ccc(Cl)cc2)nn1	84290534	FBWJNYWOQYRSFB-UHFFFAOYSA-N	318.724	2.382	5	40	DEBB	
CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	42031	UDLOBPWBPRYOTP-ZDUSSCGKSA-N	319.317	2.174	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H]1C	6639638	AWZKDCNWIIUGSG-QXEWZRGKSA-N	322.317	2.130	5	40	DEBB	
O=C(C[S@](=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1	6182967	NUHKGVWIJOCTHB-OAQYLSRUSA-N	305.311	2.308	5	40	DEBB	
Cc1cc(COC(=O)c2ccc(F)cc2[N+](=O)[O-])nc(C)n1	97374297	BMYUBKOPSDICEV-UHFFFAOYSA-N	305.265	2.498	5	40	DEBB	
Cc1nc(Nc2ccc3oc(=O)n(C)c3c2)ccc1[N+](=O)[O-]	95966037	HRQSVGDBWOAMIU-UHFFFAOYSA-N	300.274	2.487	5	40	DEBB	
Cc1cc(C(=O)NCCC2CCN(C)CC2)ccc1[N+](=O)[O-]	216930310	MZWMVCADJSUFQE-UHFFFAOYSA-N	305.378	2.365	5	40	DEBB	
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1	96454502	ZKAPOWSTMFBAQE-CJNGLKHVSA-N	306.362	2.315	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@H](O)Cc2ccccc2C(F)(F)F)c1	95438797	KBLOMRUFXIJRLR-LLVKDONJSA-N	315.251	2.414	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](CCO)C1	95945506	PXEYTMQOFYHAID-SNVBAGLBSA-N	312.753	2.483	5	40	DEBB	
CCn1ccs/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	408562925	SJVQZYQMXRGLLQ-SEYXRHQNSA-N	322.302	2.127	5	40	DEBB	
Nn1cnnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	70462320	YMTIKCCXUGIGAD-UHFFFAOYSA-N	305.241	2.070	5	40	DEBB	
CC[C@@](Cl)([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96520558	DRBTWQSIPJLCPW-QWRGUYRKSA-N	307.755	2.018	5	40	DEBB	
Fc1c(Cl)cc(Cl)cc1C[N+]12CN3CN(CN(C3)C1)C2	584906268	SIDWUFXJUUMPQR-UHFFFAOYSA-N	318.203	2.141	5	40	DEBB	
OCCCNC(=S)Nc1cc2cccnc2c2ncccc12	15229759	RHENSUGNLFFJJY-UHFFFAOYSA-N	312.398	2.452	5	40	DEBB	
COC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1	12793020	JUTLXHDHHRAQDA-UHFFFAOYSA-N	307.287	2.090	5	40	DEBB	
CCCC(=O)NC(NC(=O)CCC)c1ccc([N+](=O)[O-])cc1	3671630	GNNQKXBNWVSKCG-UHFFFAOYSA-N	307.350	2.426	5	40	DEBB	
C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCC1	96002016	XQWJSRPHDJILFV-LLVKDONJSA-N	312.391	2.245	5	40	DEBB	
Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)o1	8413665	OCKKLHHLJGDNRR-UHFFFAOYSA-N	315.329	2.459	5	40	DEBB	
CSc1cccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1	7344364	ORJQQCFCJXRJID-UHFFFAOYSA-N	306.347	2.460	5	40	DEBB	
Cc1ccccc1OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-]	58195010	BXWAYOOIBKGUKE-UHFFFAOYSA-N	315.329	2.493	5	40	DEBB	
CN(Cc1cnn(C)c1)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1F	58139526	ZRWBLJYPNOKUIJ-UHFFFAOYSA-N	309.257	2.012	5	40	DEBB	
CN(C)c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)nc1	58417163	KFEFNSRGHQVCLB-UHFFFAOYSA-N	316.317	2.073	5	40	DEBB	
Nc1nc(N2CCCC2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-]	4306367	JQLWXGRZTKRJIX-UHFFFAOYSA-N	318.312	2.450	5	40	DEBB	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(Cl)c1Cl	4179835	OCEFYPWLEUDVHX-UHFFFAOYSA-N	316.104	2.132	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C1	5119349	KGQIBBKRMTULNN-GHMZBOCLSA-N	320.397	2.050	5	40	DEBB	
CN(Cc1csc([N+](=O)[O-])c1)Cc1nnc(C2CC2)n1C	80646063	KJQYCLGKACTHEF-UHFFFAOYSA-N	307.379	2.294	5	40	DEBB	
CN(Cc1ccco1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	96001934	IBDDFKZKWZQGJB-UHFFFAOYSA-N	324.358	2.192	5	40	DEBB	
Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccccn2)CC1	96453280	CZEUXSOEGHUCNE-UHFFFAOYSA-N	313.361	2.015	5	40	DEBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nccs2)CC1	10269826	LFHCPIXQSAXGFY-UHFFFAOYSA-N	318.358	2.014	5	40	DEBB	
C[C@@]1(c2ccco2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	29740273	IERSWZFBNDSQCK-HNNXBMFYSA-N	315.285	2.155	5	40	DEBB	
CC(C)NC(=O)[C@H]1CCC[C@H](Nc2ccncc2[N+](=O)[O-])C1	72286525	USCWFRIYMJIBJN-RYUDHWBXSA-N	306.366	2.485	5	40	DEBB	
Cc1c([N+](=O)[O-])cnc2c1c(I)cn2C	575441122	CJTZXVUIVJPJMQ-UHFFFAOYSA-N	317.086	2.395	5	40	DEBB	
Cc1cc(=O)oc2cc(OCCn3cc([N+](=O)[O-])cn3)ccc12	72293308	UJHJTNCHLBLEKA-UHFFFAOYSA-N	315.285	2.285	5	40	DEBB	
COc1ccc([C@@H]2C([N+](=O)[O-])=C(C)N(C)C(=O)N2C)cc1OC	1515330	JEQBSGLKPBGUDZ-CQSZACIVSA-N	321.333	2.250	5	40	DEBB	
CCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	4895670	JMCBTSWHVSWSLH-UHFFFAOYSA-N	321.377	2.350	5	40	DEBB	
O=c1c2ccccc2ncn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3149256	YBWPTOOFOSPZLI-UHFFFAOYSA-N	312.241	2.202	5	40	DEBB	
COc1ccc(Cl)cc1NC(=O)Cn1cnc([N+](=O)[O-])c1	12791106	IZOHRFCPTDQEAY-UHFFFAOYSA-N	310.697	2.092	5	40	DEBB	
CC(=O)N1CCC(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1	40525427	ALGGELNGWPGOOC-UHFFFAOYSA-N	320.349	2.036	5	40	DEBB	
CCOc1ccc(C(=O)NCCC(=O)OC(C)C)cc1[N+](=O)[O-]	32820854	QTWSFQWAFMHILJ-UHFFFAOYSA-N	324.333	2.065	5	40	DEBB	
O=C(CCn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1	95412978	CJXZUZVRHRUJFL-UHFFFAOYSA-N	321.720	2.439	5	40	DEBB	
C[C@@H]1CN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)C[C@@H](C)O1	5533338	LFPRDNLQZKKGOD-GHMZBOCLSA-N	317.345	2.060	5	40	DEBB	
CCOC(=O)c1c[nH]c2ccc3c(SC)ncnc3c2c1=O	96194286	ZFGXFGRNGAUUHI-UHFFFAOYSA-N	315.354	2.370	5	40	DEBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H](C)C2)n1	18043605	HFQFLORRKFLQSW-PHIMTYICSA-N	322.413	2.296	5	40	DEBB	
CN(C)c1cccc(CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1	97112672	UQUINTZIZRKCDT-UHFFFAOYSA-N	315.329	2.296	5	40	DEBB	
O=[N+]([O-])c1c(N[C@H](CO)Cc2ccccc2)nc2sccn12	78411475	WDDXAEYGYXPPCG-NSHDSACASA-N	318.358	2.320	5	40	DEBB	
C[C@H]1ON(C(C)(C)C)[C@@H]2[C@H]1CO[C@]2(O)c1ccc([N+](=O)[O-])cc1	5370078	PNVADGDICBWJCN-FDKDBAQKSA-N	322.361	2.189	5	40	DEBB	
COc1ccc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1F	7427406	RFCSCJIROFWOGH-UHFFFAOYSA-N	307.281	2.439	5	40	DEBB	
O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccccn1	5380885	LFNXROIWUNLUOU-UHFFFAOYSA-N	308.297	2.262	5	40	DEBB	
O=C(O)CSc1ccc(C(=O)N2CCCCC2)cc1[N+](=O)[O-]	78121	BHNRKGUYFQCOTO-UHFFFAOYSA-N	324.358	2.398	5	40	DEBB	
CCn1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1	372994	VLLSDYQLKYEMMK-UHFFFAOYSA-N	308.725	2.395	5	40	DEBB	
C[C@@H](NC(=O)N(C)C[C@@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1	78757796	REFQDNMXDGDGLV-CHWSQXEVSA-N	320.393	2.249	5	40	DEBB	
C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	3565491	SCNXRQLWKRKPAQ-NSHDSACASA-N	321.358	2.162	5	40	DEBB	
NC(=O)[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	8428815	JUAQGUZMQFVZHI-SNVBAGLBSA-N	317.267	2.458	5	40	DEBB	
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCSC1	95442795	XEVXVRJEOPIXTD-LBPRGKRZSA-N	309.391	2.332	5	40	DEBB	
CSCC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O	2391016	VIKNEZQWTWSVSG-QMMMGPOBSA-N	302.377	2.398	5	40	DEBB	in-vitro
Cc1nn(CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1[N+](=O)[O-]	101157511	ONTOEUISULMAAH-HBEIAFGSSA-N	320.393	2.349	5	40	DEBB	
O=C(CCNc1ccc(F)cc1[N+](=O)[O-])NCc1ccccn1	96011448	XGWGNGHGJMOGFB-UHFFFAOYSA-N	318.308	2.247	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1	5392678	SXGLRHBYEHHPBK-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
Cn1nc(I)c2cc([N+](=O)[O-])ccc21	71788960	PWYBPNMCKJCWAW-UHFFFAOYSA-N	303.059	2.086	5	40	DEBB	
COC(=O)c1cnc(N(C)Cc2ccoc2C)c([N+](=O)[O-])c1	225618982	PQFSQWUHJBLFJQ-UHFFFAOYSA-N	305.290	2.314	5	40	DEBB	
C[C@@H](NC(=O)CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@H]2CC[C@H]1C2	102596325	OORRNYREZRRNPB-MROQNXINSA-N	306.366	2.122	5	40	DEBB	
CCN(CCC(=O)OC)C(=O)c1ccc([N+](=O)[O-])cc1Cl	38024455	OIIDAXHOXYXVPI-UHFFFAOYSA-N	314.725	2.273	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccsc2)c1	89780838	ZHUPUBHPWJWLMK-UHFFFAOYSA-N	312.372	2.276	5	40	DEBB	
CCCN(C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1	195567504	SDBHADWQMPYXHW-LBPRGKRZSA-N	321.377	2.104	5	40	DEBB	
CCCN(C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1	195567505	SDBHADWQMPYXHW-GFCCVEGCSA-N	321.377	2.104	5	40	DEBB	
O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1	16449406	URRJAJJFLZIZIN-UHFFFAOYSA-N	301.254	2.340	5	40	DEBB	
O=C(COC(=O)c1cnccn1)c1ccc(Cl)c([N+](=O)[O-])c1	510103	ZBLLNJHDRFSLTH-UHFFFAOYSA-N	321.676	2.078	5	40	DEBB	
Nc1c(C(=O)N2CCC[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-]	95408022	DUOWTERRDVHLKF-INIZCTEOSA-N	319.361	2.210	5	40	DEBB	
O=[N+]([O-])c1ncccc1OCc1csc(-c2ncccn2)n1	44978155	JBEGYOYLNJZDND-UHFFFAOYSA-N	315.314	2.482	5	40	DEBB	
O=C1[C@H](Oc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F	69664317	PLGHQGYVHCXKJX-SNVBAGLBSA-N	304.224	2.137	5	40	DEBB	
Cc1cc(N2CCC(N(C)CCCO)CC2)ccc1[N+](=O)[O-]	84101508	IXUQCPNVFPMHKQ-UHFFFAOYSA-N	307.394	2.186	5	40	DEBB	
CC[C@@H](C)[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	96487405	WYXFOVNRPRWGQZ-PRHODGIISA-N	300.742	2.385	5	40	DEBB	
COCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1	30017630	MHNUGXWMBSPAID-UHFFFAOYSA-N	316.313	2.377	5	40	DEBB	
O=[N+]([O-])c1cccc(OC[C@H](O)Cn2cnc3ccccc32)c1	26711309	HAHVSZVQQBUKTF-CYBMUJFWSA-N	313.313	2.384	5	40	DEBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CC1	7108100	VSNZOEFIJFXWQZ-ZETCQYMHSA-N	312.709	2.072	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@H]1CC1(Cl)Cl	7158214	NLWGPPNWWZCMBW-ZCFIWIBFSA-N	315.112	2.385	5	40	DEBB	
COc1ccc(-c2nnc3c4ccccc4ncn3c2=O)cc1	7716953	LZUDTTSGAYLNEP-UHFFFAOYSA-N	304.309	2.313	5	40	DEBB	
CC(C)c1nccn1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	97085528	GCQDRZRIDCNZKP-UHFFFAOYSA-N	323.374	2.389	5	40	DEBB	
Cc1nc(Sc2nnc(CN3CCCC3)o2)ccc1[N+](=O)[O-]	95414798	LKMHZQWIDNEALJ-UHFFFAOYSA-N	321.362	2.428	5	40	DEBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(NCc2ccccc2)n1	5164454	VGAZPHDDGMQXPE-UHFFFAOYSA-N	316.365	2.425	5	40	DEBB	
Cc1cccn2cc(CNC(=O)Cc3ccccc3[N+](=O)[O-])nc12	71435476	HFDYDXZEDNWHRD-UHFFFAOYSA-N	324.340	2.410	5	40	DEBB	
O=[N+]([O-])c1nc(Br)n(Cc2ccc(F)cc2)n1	14608580	DBVILYNSFFITFT-UHFFFAOYSA-N	301.075	2.136	5	40	DEBB	
C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H](c2ccc(F)cc2)O1	76063605	FFFKAUZSMRGEDX-GXFFZTMASA-N	320.324	2.434	5	40	DEBB	
O=C(Cn1c(=O)oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1	38219818	HBHQHZQQEGFHPG-UHFFFAOYSA-N	313.269	2.141	5	40	DEBB	
Cc1nn(C)c(N(C)Cc2ccc([S@@](C)=O)cc2)c1[N+](=O)[O-]	96453917	CUHFUAPXZDSDCD-QFIPXVFZSA-N	322.390	2.011	5	40	DEBB	
Cc1nc2ncccc2c(=O)n1-c1ccc(F)c([N+](=O)[O-])c1	225523816	ZWHUYGDRKHARRB-UHFFFAOYSA-N	300.249	2.136	5	40	DEBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCN1CCCC1	10450003	WXQGEWBURTXETN-BQYQJAHWSA-N	303.362	2.210	5	40	DEBB	
Cc1cnn(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1	71799841	QHFGVVOHRGMTIQ-GFCCVEGCSA-N	314.345	2.468	5	40	DEBB	
O=[N+]([O-])c1cc(CN2CCN(c3ccncc3)CC2)cs1	89884966	MMRJGOQEBMRHNZ-UHFFFAOYSA-N	304.375	2.374	5	40	DEBB	
CCOc1ccc([C@@H](C)N[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-]	95982169	FUKPZKRVBGTFFG-DGCLKSJQSA-N	321.377	2.265	5	40	DEBB	
O=C1CCCC(=O)C12Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]12	9340988	QDQVHNIRGDETHW-CQSZACIVSA-N	314.341	2.428	5	40	DEBB	
CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1/C=C\C(=O)O	98090086	DNMDEADYSRIRKS-SREVYHEPSA-N	304.258	2.351	5	40	DEBB	
O=C(O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	189925	SMTOCEIJVUZIPQ-UHFFFAOYSA-N	312.237	2.094	5	40	DEBB	
O=[N+]([O-])c1cc(F)c(Sc2nc3ncccn3n2)c(F)c1	97229470	IQOQNUZTDSZXCO-UHFFFAOYSA-N	309.257	2.462	5	40	DEBB	
Cc1noc(C)c1CCCNC(=O)c1ccc([N+](=O)[O-])cc1O	97097337	HYJQCDXUMDDWCK-UHFFFAOYSA-N	319.317	2.268	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1	5060402	ZABXJRVFUMHSDN-NXEZZACHSA-N	309.322	2.245	5	40	DEBB	
Cc1cccc(-n2nc([N+](=O)[O-])c(Nc3ccccc3)[n+]2[O-])c1	4821994	MHMSZSPHUXGMGY-UHFFFAOYSA-N	311.301	2.466	5	40	DEBB	
COC(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nc1	24371708	HWWWVSVBZFWXRY-UHFFFAOYSA-N	315.285	2.337	5	40	DEBB	
Cn1nnnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	2327385	NLUCAVHXSOXUKA-UHFFFAOYSA-N	305.241	2.288	5	40	DEBB	
C[C@@H]1C[C@@H](OC[C@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1	5447218	FDQUJFFWDKRYJR-BZUAXINKSA-N	300.463	2.056	5	40	DEBB	
O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccnc1	68103561	RNOGOWGBVSWXBU-UHFFFAOYSA-N	309.285	2.428	5	40	DEBB	
Cc1csc(N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C2CC2)n1	89705699	RVRRLYMRAJLQLX-UHFFFAOYSA-N	307.335	2.200	5	40	DEBB	
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCCF)c1	96500091	QDTXWFMZRAPVKC-UHFFFAOYSA-N	310.734	2.195	5	40	DEBB	
CCS(=O)(=O)[C@@](C)(Cl)C(=O)c1ccc([N+](=O)[O-])cc1	96518350	FDAZYODAPANPNE-LLVKDONJSA-N	305.739	2.167	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)OC[C@@H]1C	58246566	FXDUUTLHAWCCMH-STQMWFEESA-N	321.377	2.341	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])C1	21744638	REATURVWTVFWNF-GRYCIOLGSA-N	307.350	2.262	5	40	DEBB	
Cc1ccc(O[C@H](C)C(=O)Nc2cc(C)on2)c([N+](=O)[O-])n1	7166131	PCGMHDLSEUBVMQ-SECBINFHSA-N	306.278	2.001	5	40	DEBB	
CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1	25424137	CDBAYSXUQDUKRF-OAHLLOKOSA-N	302.330	2.471	5	40	DEBB	
Cc1cccc(N2CCO[C@](C)(c3cnn(C)c3)C2)c1[N+](=O)[O-]	225459741	LSUXLOKNBUWKTL-INIZCTEOSA-N	316.361	2.389	5	40	DEBB	
C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1nc2ccccc2o1	75091874	LDHKIKWELIHZKE-MRVPVSSYSA-N	314.305	2.324	5	40	DEBB	
O=C(O)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1	13166188	YABWHJRTOATIFN-UHFFFAOYSA-N	300.270	2.223	5	40	DEBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCOc1ccccc1	33253	DYIQXJMFKKGYRS-UHFFFAOYSA-N	312.281	2.270	5	40	DEBB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	198651	LVCHFWNSSFJLTB-UHFFFAOYSA-N	306.343	2.416	5	40	DEBB	
CN(C[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cn1	22803508	UFIWCWNXUHLNKT-GFCCVEGCSA-N	301.302	2.266	5	40	DEBB	
CC[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1	97054083	HHZXISIDFPRXJI-GFCCVEGCSA-N	312.391	2.199	5	40	DEBB	
O=C(O)CCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O	28295110	ZOMRKYJMOAXKCS-YFHOEESVSA-N	322.298	2.106	5	40	DEBB	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-2	2023430	YRXRGRLSHSSUNF-UHFFFAOYSA-N	306.255	2.316	5	40	DEBB	
Cc1c(C(=O)Nc2sccc2C(N)=O)cccc1[N+](=O)[O-]	3366658	ASMXRXYUTHKLFL-UHFFFAOYSA-N	305.315	2.316	5	40	DEBB	
Cn1c(COc2ccc(Cl)cc2Cl)nnc1C[N+](=O)[O-]	4090067	GKXNWSFFRSUELL-UHFFFAOYSA-N	317.132	2.478	5	40	DEBB	
O=C(COC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-]	6592240	REBYHMSBSGZSLO-UHFFFAOYSA-N	306.299	2.452	5	40	DEBB	
CC[C@@H](Oc1ccc(C)nc1[N+](=O)[O-])C(=O)Nc1cc(C)on1	9321985	GPJSTYJUEFTZSE-SNVBAGLBSA-N	320.305	2.391	5	40	DEBB	
COc1cccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	10325477	FRWNAWYOMISCKC-UHFFFAOYSA-N	315.285	2.181	5	40	DEBB	
C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@H]12	18218183	HRZBKBWXBVJJHA-ZDSQKVDBSA-N	302.286	2.002	5	40	DEBB	
CC(=O)N1CCCC[C@@H]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1	69616818	HGKCVSSOWYLUFX-OAHLLOKOSA-N	319.361	2.349	5	40	DEBB	
Nn1c(Sc2ccc([N+](=O)[O-])cc2)nnc1C(F)(F)F	78406489	OSOWCALIAFCPBQ-UHFFFAOYSA-N	305.241	2.070	5	40	DEBB	
C[C@@H](OCC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O	89531061	PBTRXBRSJLEMIZ-ZCFIWIBFSA-N	308.212	2.206	5	40	DEBB	
O=c1c2ccccc2nnn1Cc1ccc([N+](=O)[O-])cc1Cl	4744541	HNZCUKUGRKIVPR-UHFFFAOYSA-N	316.704	2.401	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)O)cc1	8051539	AOZFFJAUXJTDCT-UHFFFAOYSA-N	300.270	2.474	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)c1	95438788	JRXJDWXYGFVQSP-LBPRGKRZSA-N	315.251	2.414	5	40	DEBB	
O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@@H](c2ncc[nH]2)C1	95993843	VOGONXKTMMMBGA-GFCCVEGCSA-N	302.334	2.194	5	40	DEBB	
COc1ccccc1O[C@@H](C)CNc1c([N+](=O)[O-])ncn1C	78503558	UGIWPZQTTRHKMX-JTQLQIEISA-N	306.322	2.216	5	40	DEBB	
NC(=S)Nc1nc2c(N3CCCC3)ccc([N+](=O)[O-])c2s1	20154742	KUVOPLPDKMGIRW-UHFFFAOYSA-N	323.403	2.460	5	40	DEBB	
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(C)Cc1ccccc1	12536689	CBYYWBPTGJTGJC-GFCCVEGCSA-N	315.329	2.416	5	40	DEBB	
Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)n1	6968623	QAXXSHQBBGXVKX-UHFFFAOYSA-N	304.331	2.424	5	40	DEBB	
COc1cccc(CNC(=O)CNc2cccc([N+](=O)[O-])c2)c1	12737079	SDCQPXDJTMCWJO-UHFFFAOYSA-N	315.329	2.332	5	40	DEBB	
Cc1nc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cs1	15832192	PSWINSOWGVYBDL-UHFFFAOYSA-N	307.331	2.055	5	40	DEBB	
CC(C)(C)C(=O)NOCc1cc([N+](=O)[O-])cc2c1OCOC2	69349540	IMAJNPKFXLBMNU-UHFFFAOYSA-N	310.306	2.055	5	40	DEBB	
COC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](O)C(F)(F)F	69900474	BBDCJOOKCGDLGJ-JTQLQIEISA-N	322.239	2.107	5	40	DEBB	
CCOc1cc(I)c(N)c([N+](=O)[O-])c1	226289243	XCCYGFNDRQQJFY-UHFFFAOYSA-N	308.075	2.180	5	40	DEBB	
COc1ccc(-c2ccc(C(=O)NC(C)=O)o2)cc1[N+](=O)[O-]	85346841	TUEPWNPCWCJWSW-UHFFFAOYSA-N	304.258	2.140	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2cccs2)c1	76082255	POSWYWGDPOXOEB-QWHCGFSZSA-N	322.390	2.051	5	40	DEBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)cc1	13166791	CNNNLBMMIDFKKK-UHFFFAOYSA-N	316.269	2.311	5	40	DEBB	
O=C(NCCN1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1	58887395	MURFOWSEQOPSAA-UHFFFAOYSA-N	316.361	2.292	5	40	DEBB	
Cc1sc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1[N+](=O)[O-]	96490136	GCIZUEAKVAJAQW-SECBINFHSA-N	321.362	2.450	5	40	DEBB	
O=[N+]([O-])c1cnccc1N1CCO[C@@H](c2cccc(O)c2)C1	89601796	SNPQSNQDEFXDST-OAHLLOKOSA-N	301.302	2.273	5	40	DEBB	
CSC[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	78932668	GWYVWFYIBYVVHN-GFCCVEGCSA-N	323.418	2.243	5	40	DEBB	
Cc1cc(C)cc(OC[C@H](O)Cn2nc(C)c([N+](=O)[O-])c2C)c1	42755276	ZUBPEGBQUKCJFK-CQSZACIVSA-N	319.361	2.465	5	40	DEBB	
C[C@@H](CC(=O)O)n1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	408716397	MOPCYKWMBYEHLK-LURJTMIESA-N	311.216	2.158	5	40	DEBB	
O=C(Nc1ccnn1CC1CC1)c1ccc(O)c([N+](=O)[O-])c1	119234018	VZKXUYRRKGRAEF-UHFFFAOYSA-N	302.290	2.159	5	40	DEBB	
O=[N+]([O-])c1ccc(NCC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1	69892912	GCPFDSCKLXGTRO-SECBINFHSA-N	309.200	2.228	5	40	DEBB	
CCOCCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1	409137470	WPQXUEBCSWWKGB-UHFFFAOYSA-N	312.391	2.371	5	40	DEBB	
O=C(O)/C=C\C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	5187495	RPJUYKRQGXGLEG-ARJAWSKDSA-N	304.180	2.193	5	40	DEBB	
O=[N+]([O-])c1ccc(Sc2nnnn2-c2ccccc2)nc1	291424	GVKPTFNFTYYQMY-UHFFFAOYSA-N	300.303	2.117	5	40	DEBB	
Cc1nc(CCNC(=O)COc2ccccc2[N+](=O)[O-])cs1	25999693	VHEHZEMRLRYFFR-UHFFFAOYSA-N	321.358	2.097	5	40	DEBB	
C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCC1	96002015	XQWJSRPHDJILFV-NSHDSACASA-N	312.391	2.245	5	40	DEBB	
C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H](c2ccsc2)O1	96011600	HCIMWOUJEQQWIW-BXKDBHETSA-N	306.347	2.413	5	40	DEBB	
Cc1noc(/C=C\c2ccc3c(c2)n(C)c(=O)n3C)c1[N+](=O)[O-]	4511538	XHVXJPZGWMQVEB-ALCCZGGFSA-N	314.301	2.252	5	40	DEBB	
Cc1nn(CCCS(=O)(=O)c2ccccc2)c(C)c1[N+](=O)[O-]	48186582	VEMSEYULAFZMOZ-UHFFFAOYSA-N	323.374	2.272	5	40	DEBB	
Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	5698727	OBUNUFLRWJGFEZ-UHFFFAOYSA-N	306.343	2.382	5	40	DEBB	
COc1cc(NC(=O)CN2CCCCC2)c(C)cc1[N+](=O)[O-]	7780818	BLRCIYMHLSYXKO-UHFFFAOYSA-N	307.350	2.336	5	40	DEBB	
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nc1	69674840	KFZPLVVEWBJUEU-UHFFFAOYSA-N	311.294	2.238	5	40	DEBB	
CSc1nc2oc3ccc(Cl)cc3c(=O)c2c(=O)n1C	5451274	TYQRXAPALMOAMP-UHFFFAOYSA-N	308.746	2.415	5	40	DEBB	
O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	10327740	SCCCMZOLZIOEQX-UHFFFAOYSA-N	303.249	2.311	5	40	DEBB	
O=c1nc2n(Cc3ccccc3)c3ccccc3cc-2c(=O)[nH]1	539530	HXUDVRBCISXVSU-UHFFFAOYSA-N	303.321	2.238	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1	1628054	XGDSNKQDAAZGFA-UHFFFAOYSA-N	308.271	2.336	5	40	DEBB	
CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	71894553	RAYFFVQMYZRSEO-JTQLQIEISA-N	308.338	2.411	5	40	DEBB	
CC(C)NC(=O)[C@@H]1CCC[C@H](Nc2ccncc2[N+](=O)[O-])C1	72286524	USCWFRIYMJIBJN-NEPJUHHUSA-N	306.366	2.485	5	40	DEBB	
CCC[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	32436412	UFKVZZZEQLOSMW-JTQLQIEISA-N	316.379	2.413	5	40	DEBB	
O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2nnc3ccccn23)C1	22356617	OPZLRIKARJZMRA-GFCCVEGCSA-N	324.344	2.417	5	40	DEBB	
C[C@H](NC(=O)CCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@@H]2CC[C@@H]1C2	101997952	OORRNYREZRRNPB-LOWDOPEQSA-N	306.366	2.122	5	40	DEBB	
Cc1ccc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-]	63527720	QWEMSSQYIKWBIB-QGZVFWFLSA-N	317.389	2.461	5	40	DEBB	
COc1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1	3893832	SQJAYQBTXZAYTN-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
O=C(Cc1cccc(O)c1)N1CCc2ccc([N+](=O)[O-])cc2C1	84374497	HEYIXKNXIIAEOR-UHFFFAOYSA-N	312.325	2.428	5	40	DEBB	
Cc1cc(Sc2nnc(CN3CCCC3)o2)ncc1[N+](=O)[O-]	74726408	GDVZSMCYHIEMBY-UHFFFAOYSA-N	321.362	2.428	5	40	DEBB	
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1	75105408	DUGLLFRVBKABPX-HXZRUIPCSA-N	324.402	2.404	5	40	DEBB	
CCc1nc2sc3ccccc3c(=O)c2c(=O)n1CCOC	2197762	WROSWKKTKOAHOS-UHFFFAOYSA-N	316.382	2.180	5	40	DEBB	
Cc1cc(C)nc(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])n1	6425528	PBWVNLHQRQLCTK-UHFFFAOYSA-N	304.331	2.252	5	40	DEBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc([N+](=O)[O-])cc1	3896766	LBUHGTLIWWVUBG-UHFFFAOYSA-N	313.225	2.304	5	40	DEBB	
CCOC(=O)C1CCN(c2c(C(=O)O)cccc2[N+](=O)[O-])CC1	15443373	ZFWVQQDYVKGWJS-UHFFFAOYSA-N	322.317	2.073	5	40	DEBB	
Cc1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1[N+](=O)[O-]	7126838	FXZWVLLCBBBOOV-CQSZACIVSA-N	322.328	2.349	5	40	DEBB	
CN(C[C@@H]1CCCO1)C(=O)CCOc1ccccc1[N+](=O)[O-]	69811666	ULVGTNQCWQIPQL-LBPRGKRZSA-N	308.334	2.001	5	40	DEBB	
C[C@]1(c2ccco2)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O	47172194	LAJIOSORBWTQJC-CYBMUJFWSA-N	321.314	2.217	5	40	DEBB	
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1	6852948	JPHNUNDBIZCGGU-ABAIWWIYSA-N	300.314	2.447	5	40	DEBB	
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])o1	8329971	KNFAPERNFZWXIB-AXFHLTTASA-N	324.333	2.428	5	40	DEBB	
O=[N+]([O-])c1ccc(NCCc2nnc3n2CCCC3)c(F)c1	97108410	UMTAYUWVEMTDGJ-UHFFFAOYSA-N	305.313	2.316	5	40	DEBB	
CON(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1	11594811	WTWDQWONGMAPHH-UHFFFAOYSA-N	318.333	2.090	5	40	DEBB	
CCC(=O)OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	2637984	SJGKZHKKQSQMOC-UHFFFAOYSA-N	309.303	2.096	5	40	DEBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1	69872449	OMHZFRSATWMOHF-CYBMUJFWSA-N	303.362	2.295	5	40	DEBB	
Cc1ccnc(NC[C@H](O)COCc2ccccc2)c1[N+](=O)[O-]	95397623	DNSBKSQQQRRENS-AWEZNQCLSA-N	317.345	2.288	5	40	DEBB	
C[C@H]1C[C@H](OC[C@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1	5447217	FDQUJFFWDKRYJR-XHSDSOJGSA-N	300.463	2.056	5	40	DEBB	
CC(=O)c1c(C)[nH]c(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C	6542461	YLZXUTBIONUYRS-UHFFFAOYSA-N	318.333	2.439	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1COc1cccnc1[N+](=O)[O-]	22027558	ZAPUSNFKOXAEER-UHFFFAOYSA-N	305.246	2.486	5	40	DEBB	
CS[C@H]1CCC[C@@H]1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	72896428	WPKPBRVICVSWIX-JSGCOSHPSA-N	323.418	2.410	5	40	DEBB	
CCC(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1	17032112	QLTLLHXGOIKVJX-UHFFFAOYSA-N	310.360	2.428	5	40	DEBB	
O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	102595420	XXEUORHXHOMNOK-RQSQLSILSA-N	302.286	2.056	5	40	DEBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)NC12CC3CC(CC(C3)C1)C2	65711482	LVZYMVOCXDZQQC-UHFFFAOYSA-N	318.377	2.185	5	40	DEBB	
Cc1ccccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	16496775	NRZTUBYELYABLQ-SNVBAGLBSA-N	301.302	2.083	5	40	DEBB	
Cc1csc(CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])n1	97050510	HBZPFHRPJXKUIS-UHFFFAOYSA-N	306.347	2.214	5	40	DEBB	
C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CCS1(=O)=O	192049953	SWVUPUKHIOZZPQ-BPJJOFIESA-N	324.402	2.117	5	40	DEBB	
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1nncs1	5758812	NNPMQSNKFWFKDV-JTQLQIEISA-N	308.344	2.225	5	40	DEBB	
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCc2ccccc21	33055231	FRPZNPIJEFIXBV-LLVKDONJSA-N	315.329	2.369	5	40	DEBB	
CCc1ccc(OC[C@H](O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	24843799	LFFNKCCEVKREEB-CQSZACIVSA-N	319.361	2.410	5	40	DEBB	
Cc1nn(CC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1[N+](=O)[O-]	100562704	ONTOEUISULMAAH-JXJLXUTGSA-N	320.393	2.349	5	40	DEBB	
C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1	3506499	PECHDBDQGSUKHP-SMDDNHRTSA-N	320.345	2.447	5	40	DEBB	
CCOc1cccc(N[C@@H]2CCc3nc(C)nn3C2)c1[N+](=O)[O-]	97140687	FAFRNADFNOQDQJ-LLVKDONJSA-N	317.349	2.320	5	40	DEBB	
COc1ccc(-c2nn3cnc4cc(F)ccc4c3nc2=O)cc1	69701207	GFQKCGRRRXWMRX-UHFFFAOYSA-N	322.299	2.452	5	40	DEBB	
CN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1	1558504504	YGWNBSDWCZXOKI-LBPRGKRZSA-N	311.769	2.318	5	40	DEBB	
O=C(NCc1cccc([N+](=O)[O-])c1)c1ccccc1-n1ccnn1	97371844	MOTOMSGXYHEEKQ-UHFFFAOYSA-N	323.312	2.106	5	40	DEBB	
O=[N+]([O-])c1ccccc1NCc1cccnc1N1CCOCC1	32779288	HMPHEXRNNIHHEK-UHFFFAOYSA-N	314.345	2.439	5	40	DEBB	
COc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)cc1	184305	KUIDOQMVIDJHLB-UHFFFAOYSA-N	319.320	2.187	5	40	DEBB	
COc1ccc(C(=O)Nc2ccc(N(C)C)cn2)cc1[N+](=O)[O-]	58406768	DUIRHHRPJFWCBB-UHFFFAOYSA-N	316.317	2.317	5	40	DEBB	
O=c1oc2ccccc2c(NCCCn2ccnc2)c1[N+](=O)[O-]	4025364	MBUGWKYWKZFKDM-UHFFFAOYSA-N	314.301	2.400	5	40	DEBB	
CCn1c(=O)c([N+](=O)[O-])c(NCCCOC)c2ccccc21	5528921	XBYFHRVOEWUXGQ-UHFFFAOYSA-N	305.334	2.378	5	40	DEBB	
CCC[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cc(C)on1	32865406	VQFNGPLZCQHIOW-NSHDSACASA-N	320.305	2.472	5	40	DEBB	
C[C@@H](Nc1ncccc1[N+](=O)[O-])C1(N2CCOCC2)CCCC1	79099175	ZUJUMECSPPDELV-CYBMUJFWSA-N	320.393	2.435	5	40	DEBB	
O=C(COC(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1	3237590	BVTDIFBLRYMIDC-UHFFFAOYSA-N	306.299	2.452	5	40	DEBB	
C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1	3506501	PECHDBDQGSUKHP-BXUZGUMPSA-N	320.345	2.447	5	40	DEBB	
O=C1NC2(CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	3505442	GBGZADZELSNYOF-UHFFFAOYSA-N	303.318	2.350	5	40	DEBB	aggregator
CC(=O)N1CCC(CCNc2nccc(C)c2[N+](=O)[O-])CC1	89701878	JQFSPYRKMWJRGV-UHFFFAOYSA-N	306.366	2.359	5	40	DEBB	
CC(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1	16124391	FLQGKABCVVWKKH-UHFFFAOYSA-N	320.326	2.386	5	40	DEBB	
Cc1cc(C(=O)NC[C@H](C)Cn2ccnc2C)ccc1[N+](=O)[O-]	47937855	DRBAGMROOOLVAU-NSHDSACASA-N	316.361	2.474	5	40	DEBB	
Cc1nn(C)c(N2CCO[C@@H](c3ccccc3)C2)c1[N+](=O)[O-]	58344300	CXYGESQSYUJDET-CYBMUJFWSA-N	302.334	2.215	5	40	DEBB	
Cn1nc2c(c1NC(=O)c1cccc([N+](=O)[O-])c1)CSC2	71286052	KUCDXBNICJUEDM-UHFFFAOYSA-N	304.331	2.327	5	40	DEBB	
COC(=O)c1ccc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1	78824063	BPAJXSSQMNHDON-UHFFFAOYSA-N	322.704	2.245	5	40	DEBB	
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C(F)(F)F)c1	1428141	OWPSQHFEPGCJTR-UHFFFAOYSA-N	314.223	2.449	5	40	DEBB	
CCOC(=O)c1cc2c(ccc3oc(=O)c([N+](=O)[O-])cc32)[nH]1	487839	SXXNEOARUAKMCD-UHFFFAOYSA-N	302.242	2.359	5	40	DEBB	biogenic
Cc1cc(CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)no1	25138844	RFEDYAUZCDGBKC-UHFFFAOYSA-N	315.289	2.040	5	40	DEBB	
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccc1	4014417	XYSNOEAYBDRMJO-UHFFFAOYSA-N	302.246	2.346	5	40	DEBB	
Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)nc(O)n1	97082741	OXVQFTKPHPGBAT-UHFFFAOYSA-N	308.681	2.305	5	40	DEBB	
CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(F)c1)N1CCCC1=O	95991433	ZRIGCQZAEYGJLH-NSHDSACASA-N	309.297	2.073	5	40	DEBB	
O=C(CCOCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O	89531767	ZRBHOKWMYDVPEK-UHFFFAOYSA-N	308.212	2.208	5	40	DEBB	
CC(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1	63527697	KSMFGXSGEJHMMF-UHFFFAOYSA-N	317.389	2.429	5	40	DEBB	
CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(C)=O)cc1OC	32747419	JKUNCTCKQVDJOP-VIFPVBQESA-N	311.290	2.136	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCCN(C)C3)C2)c1	63527737	VGOOEIAZLFZIRF-QGZVFWFLSA-N	317.389	2.461	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1CSCc1nnnn1C1CC1	78555681	PAHCEFQZTCFENR-UHFFFAOYSA-N	321.362	2.358	5	40	DEBB	
CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCO1	72635714	HEFFDHFORYKWPX-AWEZNQCLSA-N	321.377	2.343	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2	101915287	SWWHVVWCZKZCHG-ZNIXKSQXSA-N	316.313	2.365	5	40	DEBB	
Cc1c([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cnn1C	25005764	WOLGRKQPRNTGBY-SNVBAGLBSA-N	302.334	2.057	5	40	DEBB	
O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc([N+](=O)[O-])o1	36391411	NFZNIRAKXFQEDV-UHFFFAOYSA-N	317.257	2.397	5	40	DEBB	
CNC(=O)Cc1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1	195573688	ZOTRWBLFCKNDMQ-UHFFFAOYSA-N	304.306	2.057	5	40	DEBB	
CN1C[C@H]2CC[C@H](C1)C2(C)OC(=O)c1ccc([N+](=O)[O-])cc1	100380553	YGSQJANEQMYLLP-CHWSQXEVSA-N	304.346	2.482	5	40	DEBB	
CCOC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1	96007166	WUNYGZUYPHMAAO-DZGCQCFKSA-N	322.361	2.043	5	40	DEBB	
NC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C2CCCC2)C1	84351053	IRHZSPCFSXPYBE-LLVKDONJSA-N	318.377	2.123	5	40	DEBB	
CCN(CC(=O)Nc1cc(C)no1)Cc1cccc([N+](=O)[O-])c1	40127633	VYHXYFKRFIJMPX-UHFFFAOYSA-N	318.333	2.352	5	40	DEBB	
O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	358814	DJQZLOJGVIRPKY-GXDHUFHOSA-N	312.281	2.450	5	40	DEBB	
CCOCCCNC(=O)COc1ccc([N+](=O)[O-])cc1Cl	3450128	SDLVFQWKXKPTOI-UHFFFAOYSA-N	316.741	2.170	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccccc2)c1	20044267	AYXSALHCQKMZKC-UHFFFAOYSA-N	306.343	2.214	5	40	DEBB	
Cc1cc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c(=O)[nH]1	4248368	GZTDCEUQJIDKGL-UHFFFAOYSA-N	310.212	2.089	5	40	DEBB	
C[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1	12620615	NELWIEWNKRGBRE-TUAOUCFPSA-N	307.350	2.031	5	40	DEBB	
CCOc1cccc(N(C)C[C@H]2CCN(C(C)=O)C2)c1[N+](=O)[O-]	95941145	CUHWMORMRJPXPS-CYBMUJFWSA-N	321.377	2.298	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@@H]3CCC[C@H]3C2)cc1	195559644	MSDROJWKXXTQMX-STQMWFEESA-N	324.402	2.100	5	40	DEBB	
CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	245339253	RMSJPTBAKZEWNE-NUEKZKHPSA-N	318.373	2.409	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1	260408638	FRGXIPBEBCCJDK-VHRBIJSZSA-N	310.375	2.203	5	40	DEBB	
O=C(NCc1ccnc(-n2cccn2)c1)c1cccc([N+](=O)[O-])c1	40510758	DAPABFDBJCWVNQ-UHFFFAOYSA-N	323.312	2.106	5	40	DEBB	
CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1	5051343	SSOQKBNOMLUIQC-MRVPVSSYSA-N	306.326	2.383	5	40	DEBB	
CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1	75105412	DUGLLFRVBKABPX-RGDDPNHNSA-N	324.402	2.404	5	40	DEBB	
CC(C)Sc1cc(NCCCO)c([N+](=O)[O-])c2nonc12	4672879	AWEWMJVNKLTDSO-UHFFFAOYSA-N	312.351	2.426	5	40	DEBB	
CN(C)c1ccc(C(=O)Nc2ncccc2O)cc1[N+](=O)[O-]	22262611	XZCOFMYCZSYDLT-UHFFFAOYSA-N	302.290	2.014	5	40	DEBB	
COc1nc(OC)nc(Oc2ccc([N+](=O)[O-])cc2Cl)n1	376989	PMWAGAQVPRBLKM-UHFFFAOYSA-N	312.669	2.243	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O)c(C(=O)O)c1	1513541	YIOOURVJTSABAA-UHFFFAOYSA-N	315.237	2.222	5	40	DEBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1N1CCCCCC1	4832317	VMJGZSSHFGKTQL-UHFFFAOYSA-N	307.266	2.420	5	40	DEBB	
O=C(N[C@@H]1CCc2[nH]ncc2C1)c1ccc([N+](=O)[O-])c(Cl)c1	97162502	IPHMYEBKKSPWLS-SNVBAGLBSA-N	320.736	2.259	5	40	DEBB	
CC(C)(C)OC(=O)N(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1	687749190	NFRKHZSOGFWLOM-UHFFFAOYSA-N	310.306	2.417	5	40	DEBB	
CC[C@@H](CCO)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	79074381	QDJHBFPXUAXIDW-ZDUSSCGKSA-N	323.393	2.312	5	40	DEBB	
O=[N+]([O-])c1ccc(CCS(=O)(=O)N2C[C@H]3CCC[C@H]3C2)cc1	96002002	OBZCEXIDNUVHFX-OKILXGFUSA-N	324.402	2.199	5	40	DEBB	
CC[C@@H]1CN(C(=O)Cn2ccc3c([N+](=O)[O-])cccc32)CCO1	72302047	HEZVNSSPVSRNJS-GFCCVEGCSA-N	317.345	2.187	5	40	DEBB	
C[C@@H]1c2cc(F)ccc2CCN1C(=O)c1n[nH]cc1[N+](=O)[O-]	195547508	SOWSTLSMSAFRKX-MRVPVSSYSA-N	304.281	2.217	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1[N+](=O)[O-]	101157515	ONTOEUISULMAAH-NZPIUUIZSA-N	320.393	2.349	5	40	DEBB	
O=C(NC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1)C1CC1	42098340	MHQPLUKXEGJZRY-UHFFFAOYSA-N	307.325	2.229	5	40	DEBB	
C[C@@H](NC(=O)N(C)C[C@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1	78757815	REFQDNMXDGDGLV-OLZOCXBDSA-N	320.393	2.249	5	40	DEBB	
CCN(CC)CCCNC(=O)c1noc2cc([N+](=O)[O-])ccc12	1670684	ZYBRXYCOESUYLO-UHFFFAOYSA-N	320.349	2.198	5	40	DEBB	
Cc1n[nH]c(SCC(=O)NCc2ccccc2)c1[N+](=O)[O-]	6621862	ZDKCZPUGXDELQP-UHFFFAOYSA-N	306.347	2.035	5	40	DEBB	
CCN(C[C@@H]1CCOC1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1	58173814	NXZZHZGMXUAIES-NSHDSACASA-N	307.350	2.135	5	40	DEBB	
Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	58368795	ALFYQODAPCXELB-DGCLKSJQSA-N	314.301	2.181	5	40	DEBB	
Cc1c(F)cc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-]	63114405	QPTPQLFKXZMJIB-LLVKDONJSA-N	307.325	2.009	5	40	DEBB	
COC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1	4579508	DQIHXFPPHBPWPM-FMIVXFBMSA-N	316.269	2.132	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CCCC2)C1	69897521	ZDGNJPXRKQXHLI-MRXNPFEDSA-N	317.389	2.224	5	40	DEBB	
CC(C)NC(=O)[C@@H]1CCC[C@@H](Nc2ccncc2[N+](=O)[O-])C1	72286526	USCWFRIYMJIBJN-VXGBXAGGSA-N	306.366	2.485	5	40	DEBB	
C[C@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCC[C@@H]1O	96450960	UMHHLXKCDLOXLF-GOEBONIOSA-N	321.377	2.335	5	40	DEBB	
CN(Cc1ccsc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	8059502	NUFNVDHJZIMVAG-UHFFFAOYSA-N	312.372	2.477	5	40	DEBB	
O=C(Nc1nccs1)c1cc2c(cc1[N+](=O)[O-])OCCO2	8210203	YHJIUPZXAQICOB-UHFFFAOYSA-N	307.287	2.075	5	40	DEBB	
CC(=O)N1CC[C@]2(CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1	63527698	BSWDVYCRZZOZSV-KRWDZBQOSA-N	317.389	2.429	5	40	DEBB	
O=[N+]([O-])c1cnc2nc(SCc3ccc(F)cc3)nn2c1	71195110	WCAZVXWPAKDVRI-UHFFFAOYSA-N	305.294	2.464	5	40	DEBB	
CC[C@@H](c1nnc2n1CCCCC2)n1nc([N+](=O)[O-])cc1C	72334174	JSKVSCVVCJSQMO-NSHDSACASA-N	304.354	2.417	5	40	DEBB	
CCC12CN3CC(CC)(CN(C1)C3c1ccc([N+](=O)[O-])o1)C2=O	19323190	AECYXACDIKKMNV-UHFFFAOYSA-N	319.361	2.193	5	40	DEBB	biogenic
O=[N+]([O-])c1cnn(Cc2cn3cc(Br)ccc3n2)c1	71915108	LSFNXBMTQSHTIA-UHFFFAOYSA-N	322.122	2.250	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@@H](O)Cc2ccccc2C(F)(F)F)c1	95438796	KBLOMRUFXIJRLR-NSHDSACASA-N	315.251	2.414	5	40	DEBB	
O=C(O)c1cccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	1593167	WSYQIGOAAGAENM-UHFFFAOYSA-N	307.283	2.126	5	40	DEBB	
Cc1nc2[nH]nc(O)c2c2c1c(=O)oc1ccc([N+](=O)[O-])cc12	20085974	URICIEJFFGZAHE-UHFFFAOYSA-N	312.241	2.140	5	40	DEBB	
C[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1	1999358	IHRPDXFOMLCPIK-UHFFFAOYSA-N	314.405	2.172	5	40	DEBB	in-man
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCO1	71830328	KELRNJUVTNDNGI-OAHLLOKOSA-N	321.377	2.472	5	40	DEBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2C=CCCC2)CC1	95394190	GJGWCMHISPYOEU-OAHLLOKOSA-N	315.373	2.461	5	40	DEBB	
C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)C1	3312262	MILXGBDCCBAFPE-RYUDHWBXSA-N	320.345	2.256	5	40	DEBB	
Cc1ccc([C@H](C)NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)o1	23305312	CUOYPMABJYGLME-VIFPVBQESA-N	306.322	2.187	5	40	DEBB	
Cc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])n1C	72281707	XWNJBYIHFVVXTP-UHFFFAOYSA-N	317.345	2.327	5	40	DEBB	
C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1	3506503	PECHDBDQGSUKHP-FZMZJTMJSA-N	320.345	2.447	5	40	DEBB	
CCOC(=O)[C@@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C	72290147	XNDQHUTYOAVPTP-INIZCTEOSA-N	322.361	2.231	5	40	DEBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1CCS(=O)(=O)C1	4863496	CKBOWGFRKGGWSC-QMMMGPOBSA-N	324.280	2.213	5	40	DEBB	
CC(C)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccs1	74648853	GUPBJGICOUDFGO-UHFFFAOYSA-N	322.390	2.337	5	40	DEBB	
CCS(=O)(=O)c1sc(N)nc1-c1cccc([N+](=O)[O-])c1	96533009	FLAGTFYBZFEOFD-UHFFFAOYSA-N	313.360	2.094	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1COC(=O)Cc1c(C)noc1C	24267374	KELKQUBWDYENDA-UHFFFAOYSA-N	320.301	2.494	5	40	DEBB	
O=C(O)c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	7787312	NUDZODZLACQCHL-UHFFFAOYSA-N	323.282	2.061	5	40	DEBB	
CC(C)[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCS1	96432253	RNIRDBVPXMMQHL-CYBMUJFWSA-N	309.391	2.391	5	40	DEBB	
COc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1	132231304	ADQXVOOEBNYWIT-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
O=C(NCc1ccco1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	32477216	KIIBQFZWNZWYMT-UHFFFAOYSA-N	312.285	2.304	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)Cc2ccccc2)c1	78939341	AIOUQWYSZWTVMO-AWEZNQCLSA-N	314.341	2.237	5	40	DEBB	
O=C(NCc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])o1	46698817	QJERQENKUOWNLQ-UHFFFAOYSA-N	312.285	2.304	5	40	DEBB	
Cc1cc(OC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1	4248389	HQSRNWFJZGXSBQ-BQYQJAHWSA-N	300.270	2.210	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1ccccc1O	2795351	PXAHSXSBHLIVST-SECBINFHSA-N	304.306	2.080	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccn1C	6369266	ZXGLVPJFQSCNPK-UHFFFAOYSA-N	306.347	2.368	5	40	DEBB	
COc1c(O)cc2oc3c(OC)c(O)cc(C)c3c(=O)c2c1O	96023815	PWBCXOKCVLBBMI-UHFFFAOYSA-N	318.281	2.389	5	40	DEBB	biogenic
CCC(=O)OCCNc1cc(Cl)c2nonc2c1[N+](=O)[O-]	4676583	VKOARRBGUYSSTB-UHFFFAOYSA-N	314.685	2.150	5	40	DEBB	
Cc1ccc(OCC(=O)NC(=O)c2ccccc2)c([N+](=O)[O-])c1	7463591	AQNAQEZNVNEMEI-UHFFFAOYSA-N	314.297	2.239	5	40	DEBB	
COC(=O)c1cnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)s1	9951910	OIMYBILBFUQMFU-DUXPYHPUSA-N	323.286	2.083	5	40	DEBB	
O=[N+]([O-])c1cnc(N2CCN(CC(F)F)CC2)c(Cl)c1	96412866	FQRXDZGKBNLSFU-UHFFFAOYSA-N	306.700	2.030	5	40	DEBB	
O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1	247330028	OQSWETMHRSXTCJ-CDGCEXEKSA-N	317.297	2.161	5	40	DEBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnsn1	48890195	HXSCNYHJBZNNNT-UHFFFAOYSA-N	312.738	2.372	5	40	DEBB	
CCC(O)(CC)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	75148309	IUYIOSIGVLMNQG-UHFFFAOYSA-N	323.393	2.454	5	40	DEBB	
O=C(O)CCCCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	2031758	ZQDMXYHEXRDAHM-ZCFIWIBFSA-N	308.545	2.273	5	40	DEBB	
NC(=O)c1ccc(COC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1	104806762	MHEKZEIFPPOCIX-OUJBWJOFSA-N	318.329	2.173	5	40	DEBB	
O=[N+]([O-])c1cnccc1NCC1(N2CCCCC2)CCOCC1	72290787	FQNLWWNVGLVXRV-UHFFFAOYSA-N	320.393	2.437	5	40	DEBB	
C[C@H]1C[C@H](C)CN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C1	4306065	GIITUDGEKXIGEE-QWRGUYRKSA-N	320.397	2.050	5	40	DEBB	
N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccccn1	4639032	AQOXYQPGTRAERF-UHFFFAOYSA-N	310.269	2.468	5	40	DEBB	
CC1CCN(C(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)CC1	2780808	SLAPAYRRNLRAGT-UHFFFAOYSA-N	300.746	2.093	5	40	DEBB	
CN(C)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23	5502555	QKYXFJYABODRFA-UHFFFAOYSA-N	322.368	2.118	5	40	DEBB	in-vivo
Cc1cc(C)nc(NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1	9028100	VNLWSGVXDCGWQP-UHFFFAOYSA-N	304.266	2.349	5	40	DEBB	
O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@@H]1CO	95443407	SATAAMWZYNMPAW-UKRRQHHQSA-N	306.362	2.195	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nccc(O)n1	408545056	YEGCZYUVMZZZMU-UHFFFAOYSA-N	320.330	2.130	5	40	DEBB	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(C)CC1	23110404	VSHIWVLRKDMBTQ-LLVKDONJSA-N	323.418	2.286	5	40	DEBB	
Cn1cccc1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1	97144188	MWHHXLXZDCNOGG-OAHLLOKOSA-N	315.329	2.147	5	40	DEBB	
CCOC(=O)C(C)(C)NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1	66530758	BWDXSKKBBFRBFJ-UHFFFAOYSA-N	324.333	2.065	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1	30493472	QZJIBIXFEYQRBJ-UHFFFAOYSA-N	314.363	2.168	5	40	DEBB	
O=[N+]([O-])c1cn[nH]c1N1CCN(Cc2ccccc2Cl)CC1	22239232	YVURVKVKSQFJOG-UHFFFAOYSA-N	321.768	2.294	5	40	DEBB	
COC(=O)c1ccc(COC(=O)Cc2ccccc2[N+](=O)[O-])o1	5937591	PMYVLFDJWRMEQW-UHFFFAOYSA-N	319.269	2.260	5	40	DEBB	
O=C(C[S@@](=O)c1ccccc1[N+](=O)[O-])OCc1ccccc1	74946	BFNQEWVIYPVLPG-QFIPXVFZSA-N	319.338	2.446	5	40	DEBB	
Cc1cc(NC(=O)NCCNc2ccccc2[N+](=O)[O-])no1	32841284	NXCXNVXWKYXGMS-UHFFFAOYSA-N	305.294	2.125	5	40	DEBB	
CCN1CCC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1	103475953	CUARBDFQFSGBCT-JTQLQIEISA-N	309.395	2.448	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2)c(Cl)c1	72275915	QYJFWCIVNIAQAD-UHFFFAOYSA-N	313.722	2.444	5	40	DEBB	
O=C(COC(=O)c1ccc(O)cc1)Nc1ccccc1[N+](=O)[O-]	5694376	UZNGAAHSZUMGNS-UHFFFAOYSA-N	316.269	2.096	5	40	DEBB	
CN(C)c1ncncc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	95427960	WCBOXDIIZBAZTB-UHFFFAOYSA-N	321.724	2.357	5	40	DEBB	
Cc1nnc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n1C	96502913	MHGBDONFWKKSAI-UHFFFAOYSA-N	306.713	2.083	5	40	DEBB	
O=C(NCCO)c1cccc(Oc2ccc(F)cc2[N+](=O)[O-])c1	78798366	LCFJYQWTTBIXGB-UHFFFAOYSA-N	320.276	2.248	5	40	DEBB	
Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)CC1CCCC1	71905248	LRUPUQRFWJJOOV-UHFFFAOYSA-N	306.366	2.407	5	40	DEBB	
Cc1ccc(F)c(N(C#N)CCn2cc([N+](=O)[O-])ccc2=O)c1	95446259	TYMCSKKFEPMCRY-UHFFFAOYSA-N	316.292	2.192	5	40	DEBB	
O=C(NC(=S)c1cccnc1)Nc1cccc([N+](=O)[O-])c1	408733086	VVCAFJVQPBZDDT-UHFFFAOYSA-N	302.315	2.487	5	40	DEBB	
COC(=O)c1ccc(I)c([N+](=O)[O-])c1C	169801407	YBPIRYDIDGONHK-UHFFFAOYSA-N	321.070	2.294	5	40	DEBB	
CC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1CC(C)=O	5383022	IDIHVVFWCUDNGZ-UHFFFAOYSA-N	307.331	2.215	5	40	DEBB	
O=C1C[C@H]([C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc21	5892171	FTUCCNRWNKIWOO-YVEFUNNKSA-N	324.292	2.105	5	40	DEBB	
O=C(O)C(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)O	337576	MRZKDAVMLCNIEI-UHFFFAOYSA-N	303.226	2.407	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	6007752	OBFZHJUTVODORB-MGPQQGTHSA-N	308.378	2.312	5	40	DEBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1Cl	6120081	JPUQBISBUBFYQK-UHFFFAOYSA-N	307.693	2.049	5	40	DEBB	
O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1	2635035	FQQCULGJMURUKI-HNNXBMFYSA-N	315.281	2.478	5	40	DEBB	
NC(=O)c1ccccc1COC(=O)c1ccccc1[N+](=O)[O-]	78768683	RJYSALCQLFRWQG-UHFFFAOYSA-N	300.270	2.051	5	40	DEBB	
COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O	390834464	ZGIZCFRTPFBVCD-UHFFFAOYSA-N	324.314	2.110	5	40	DEBB	
O=C(NC[C@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1	4941403	OBLSJVIBAXFICT-ZDUSSCGKSA-N	306.318	2.010	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2C12CC2	101356357	FOISCOGVUGBTCW-MQYQWHSLSA-N	310.309	2.296	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCN(c2ccccc2)C1	29624607	MFVCSMYHUFNUOI-GFCCVEGCSA-N	301.350	2.267	5	40	DEBB	
Cc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])s1	4093731	CBHFXHLWJPBBQI-UHFFFAOYSA-N	310.360	2.486	5	40	DEBB	
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1	69674829	ASVDWNUSTWPFKU-UHFFFAOYSA-N	307.331	2.407	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(O)CCCCCC1	96411767	DZLRFTPOHABQIB-UHFFFAOYSA-N	306.362	2.339	5	40	DEBB	
CCCC(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C	5782261	MXYSPZAOBRHUPF-UHFFFAOYSA-N	310.306	2.194	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nnc2ccccc21	291869	ZMVHMVKMXITCSN-UHFFFAOYSA-N	311.301	2.287	5	40	DEBB	
O=C(Nc1ccc(S(=O)(=O)O)cc1)c1ccc([N+](=O)[O-])cc1	1669755	OTNGJJYSZLYCAY-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
COC(=O)[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[N+]2(C)C	6519807	NRJDVMYLISHSNW-JJXSEGSLSA-N	318.393	2.012	5	40	DEBB	
Cc1cc(NC[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1[N+](=O)[O-]	80552601	HEXARPOEQRYUOU-VIFPVBQESA-N	318.782	2.403	5	40	DEBB	
CCCCSc1nc(O)c2nc3ccccc3c(=O)n2n1	8715515	CVQAOUBOMSJVPG-UHFFFAOYSA-N	302.359	2.236	5	40	DEBB	
CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C	34925533	PNUVLRMIULXKSX-UHFFFAOYSA-N	320.261	2.174	5	40	DEBB	
Cc1cnc(CCN(C)C(=O)c2cccc([N+](=O)[O-])c2O)s1	95438888	GNKQXTNFPDVMIN-UHFFFAOYSA-N	321.358	2.380	5	40	DEBB	
Cc1ccc(CN2CCO[C@]3(CCCN(C)C3)C2)cc1[N+](=O)[O-]	96157087	WEJOEAOQIXZCMS-KRWDZBQOSA-N	319.405	2.200	5	40	DEBB	
Cc1cc(NCCc2nnc3n2CCCC3)ccc1[N+](=O)[O-]	97373096	CFIDVOGQFMPYKF-UHFFFAOYSA-N	301.350	2.486	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O	100184463	VHKRHDANWAQKGM-YGNQVGSDSA-N	324.336	2.461	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCc2[nH]ncc2C1	97103730	DTCHVOBFBBNPAS-NSHDSACASA-N	315.333	2.305	5	40	DEBB	
Cc1ccc(C(=O)NC[C@H](C)Cn2ccnc2C)cc1[N+](=O)[O-]	47937973	SVDSULIPKLVOKR-NSHDSACASA-N	316.361	2.474	5	40	DEBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	3235875	XUMJTLSZCIPXTN-CQSZACIVSA-N	304.277	2.197	5	40	DEBB	
C[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1	58278876	DJHQFYXLGKSETA-SECBINFHSA-N	302.290	2.131	5	40	DEBB	
Cc1cccn2cc(CNc3ccc4ncc([N+](=O)[O-])n4n3)nc12	91628489	WZMVOJWOEHOYCT-UHFFFAOYSA-N	323.316	2.206	5	40	DEBB	
CC[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1cccc([N+](=O)[O-])c1	96454698	ZOMMEMUUOSXXDQ-CQSZACIVSA-N	315.329	2.175	5	40	DEBB	
CCOC(=O)[C@@H](C[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1	91302931	IGSPOQYRPVORNS-HOTGVXAUSA-N	320.389	2.355	5	40	DEBB	in-vitro
CCC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	30494055	RTRYWWPVPUIMGQ-UHFFFAOYSA-N	302.352	2.070	5	40	DEBB	
Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccccc1[N+](=O)[O-]	31540515	YBFTURQVCXZHLG-LBPRGKRZSA-N	300.318	2.136	5	40	DEBB	
CCCC(=O)OCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-]	4965138	CAJDEBYXCCXFCY-UHFFFAOYSA-N	310.306	2.275	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])c1	36426288	RVYFEWBATUZWFO-LBPRGKRZSA-N	306.322	2.178	5	40	DEBB	
CC(=O)N1CC[C@@]2(CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1	63527699	BSWDVYCRZZOZSV-QGZVFWFLSA-N	317.389	2.429	5	40	DEBB	
O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	2736397	VEDGJEPLCUKFLD-ZJUUUORDSA-N	308.265	2.339	5	40	DEBB	
CCOC(=O)c1cc(C(=O)Nc2ccccn2)cc([N+](=O)[O-])c1	9338918	XVRNMMXTWISOLL-UHFFFAOYSA-N	315.285	2.419	5	40	DEBB	
Cc1[nH]nc(C(=O)N2CCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-]	84019442	XBPGYXFNTVBYON-ZDUSSCGKSA-N	314.345	2.474	5	40	DEBB	
CCN1CCC(CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1	72297555	SRDBQPLUCISFGG-UHFFFAOYSA-N	305.378	2.447	5	40	DEBB	
CC(C)[C@@H](O)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	97162515	UUDLBXFAOYYBNQ-LBPRGKRZSA-N	300.742	2.385	5	40	DEBB	
O=C(COc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccccc1	5678091	WAQDNCQNGDDWDC-UHFFFAOYSA-N	315.281	2.400	5	40	DEBB	
CCOC(=O)c1csc(NC(=O)c2ccccc2[N+](=O)[O-])n1	5474539	RDUHGJYKRKPQIC-UHFFFAOYSA-N	321.314	2.480	5	40	DEBB	
O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3CCCCO3)C2)nc1	78950145	ZBWKJWYVYWUYMR-OCCSQVGLSA-N	306.366	2.045	5	40	DEBB	
O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nncs1	1607600	CDYHJZHMUAXOID-SNVBAGLBSA-N	308.344	2.225	5	40	DEBB	
CC(C)CCNC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1	4616629	WHLOHIUKQSKVRX-UHFFFAOYSA-N	307.350	2.476	5	40	DEBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1cc(F)ccc1F	5637415	RTJUFJROQDSLFG-UHFFFAOYSA-N	309.228	2.286	5	40	DEBB	
CC(C)(CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1	69535361	QYHDECGOHFFXIV-UHFFFAOYSA-N	320.324	2.024	5	40	DEBB	
CC[C@@H](CN1CCCC1)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-]	72289214	WGSVCHBOXQBCCQ-ZDUSSCGKSA-N	320.393	2.241	5	40	DEBB	
O=[N+]([O-])c1cncc(Br)c1NCCn1ccnc1	96502916	XJRMMNSXDNUANB-UHFFFAOYSA-N	312.127	2.061	5	40	DEBB	
O=[N+]([O-])c1cc(Cl)ccc1NC[C@@]1(CCO)CCOC1	96474614	JPMGTXDNDRLGBX-CYBMUJFWSA-N	300.742	2.449	5	40	DEBB	
O=C(Nc1nccs1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	294084	WHMKYRVYGJUSME-UHFFFAOYSA-N	317.282	2.410	5	40	DEBB	
NC(=O)c1cc([N+](=O)[O-])c(NC2CCCCC2)c([N+](=O)[O-])c1	26508919	QVCSKRCSEXSKMG-UHFFFAOYSA-N	308.294	2.347	5	40	DEBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1Cl	65712703	ONVPHGPYTPYLRI-UHFFFAOYSA-N	308.725	2.070	5	40	DEBB	
Nc1ncnc(O[C@H]2C=CC=C(C(F)(F)F)C2)c1[N+](=O)[O-]	26802644	PBZRRRXPKSMSOH-ZETCQYMHSA-N	302.212	2.163	5	40	DEBB	
Cc1nn(CCS(=O)(=O)Cc2ccccc2)c(C)c1[N+](=O)[O-]	280040009	WOJHJCNMGAYVMB-UHFFFAOYSA-N	323.374	2.023	5	40	DEBB	
O=C(Nc1ccc(-n2cncn2)cc1)c1ccc([N+](=O)[O-])cc1	24764958	JOXXFIVXTLSRFR-UHFFFAOYSA-N	309.285	2.428	5	40	DEBB	
Cc1ccc(N(O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	4863504	UTKDROJBZFFPLP-UHFFFAOYSA-N	308.315	2.488	5	40	DEBB	
CN(CCNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1	72313818	BVAMHRQSZCOACG-UHFFFAOYSA-N	314.345	2.043	5	40	DEBB	
CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCO1	52102573	ILJIDGDEGVTQMM-AWEZNQCLSA-N	308.334	2.072	5	40	DEBB	
COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(N)=O)cc1	7597476	BLJRCHMFUDPMRE-UHFFFAOYSA-N	302.286	2.135	5	40	DEBB	
Cc1nn(C)cc1CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	2767027	RCVRXOKRFIIDQF-RMKNXTFCSA-N	314.345	2.309	5	40	DEBB	
O=[N+]([O-])c1c(NCc2ccccc2CO)nc2sccn12	49979910	IWRMGIYRBQCLKV-UHFFFAOYSA-N	304.331	2.408	5	40	DEBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21	83884223	UAFQNLHFXSUQCU-LSDHHAIUSA-N	319.361	2.420	5	40	DEBB	
C[C@@]1(CCC(=O)OCCc2ccccc2[N+](=O)[O-])CCC(=O)N1	97109226	UBLXICUSDPXIDY-INIZCTEOSA-N	320.345	2.129	5	40	DEBB	
CC(=O)N1CC[C@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)C1	63527684	ADQCJOWFJALAKV-INIZCTEOSA-N	303.362	2.039	5	40	DEBB	
O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CCCNC1	42775680	UAXRCDGDTWMWDV-SECBINFHSA-N	301.140	2.488	5	40	DEBB	
Cc1cc(N[C@H](CO)Cc2ccc(O)cc2)ncc1[N+](=O)[O-]	97235010	LDWPDVOCCCCGMY-LBPRGKRZSA-N	303.318	2.019	5	40	DEBB	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1[N+](=O)[O-]	53866973	OVWSJKIADPVDIA-JTQLQIEISA-N	323.349	2.124	5	40	DEBB	
CSc1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1	65711697	LUGPEODBXUQRNL-UHFFFAOYSA-N	306.347	2.460	5	40	DEBB	
C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	6949131	DCXAURVIBITNRC-LLVKDONJSA-N	321.358	2.162	5	40	DEBB	
O=C(c1ccoc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	8779713	IXFYZFSLMXIPDG-UHFFFAOYSA-N	301.302	2.150	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@@H](O)Cc2ccccc2C(F)(F)F)cn1	95433514	CPOKZWXWPBXIOC-JTQLQIEISA-N	315.251	2.414	5	40	DEBB	
C[C@@H](CS(C)(=O)=O)N(C)c1ccc2cc([N+](=O)[O-])ccc2n1	76063050	CNPUMHNLXIXKEB-JTQLQIEISA-N	323.374	2.012	5	40	DEBB	
COC(=O)c1ccc(CN(C)c2ccc([N+](=O)[O-])cn2)cc1	30521833	DJPSPGQZKVAMRF-UHFFFAOYSA-N	301.302	2.413	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)C1	12170154	JECVOHGLNGYZSU-VNHYZAJKSA-N	308.378	2.312	5	40	DEBB	
Cc1cc(NC(=O)CSc2ncn[nH]2)c([N+](=O)[O-])cc1C	6796540	GWLWSAFWLKPWOK-UHFFFAOYSA-N	307.335	2.061	5	40	DEBB	
Cc1ccc(OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])n1	12533605	GRQMETJRQHDLGN-PHIMTYICSA-N	307.350	2.182	5	40	DEBB	
CCCCn1nnnc1COC(=O)c1cccc([N+](=O)[O-])c1C	26423046	KQJMEJQOCPMSFU-UHFFFAOYSA-N	319.321	2.047	5	40	DEBB	
C[C@H]1C[C@H](C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1	8147180	QRDWXRFFUNWSCQ-QWRGUYRKSA-N	312.391	2.481	5	40	DEBB	
NC(=O)c1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1	72273558	CRCFUMSOUASEHB-UHFFFAOYSA-N	300.270	2.051	5	40	DEBB	
Cc1nc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)oc1C	95442771	TYPMRTBFJIQQEX-UHFFFAOYSA-N	318.333	2.242	5	40	DEBB	
CSC1=C([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C	8346050	PNXAPCBYDMFEDZ-VIFPVBQESA-N	324.318	2.100	5	40	DEBB	
CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	58357883	VWNGNXBCPMHITF-CYBMUJFWSA-N	305.334	2.180	5	40	DEBB	
Cn1cc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2ccccc12	9051593	GDYBEVRFKGBZRT-UHFFFAOYSA-N	312.329	2.387	5	40	DEBB	
Cc1ccc(NC(=O)CN(C)Cc2csc([N+](=O)[O-])c2)nc1	69014613	ILECWUREBYDTRB-UHFFFAOYSA-N	320.374	2.430	5	40	DEBB	
CC[C@@H](NC(=O)c1ccc(C)[nH]c1=O)c1cccc([N+](=O)[O-])c1	79018680	JXWWRRQBWHQSSD-CQSZACIVSA-N	315.329	2.473	5	40	DEBB	
C[C@H]1c2cccn2CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	23078912	IFSUTJHSVHFERO-NSHDSACASA-N	314.345	2.072	5	40	DEBB	
O=C(O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	3148990	VEKAWWUDVIPVQQ-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
CC1(C)C[C@@]2(C)C[C@@H]1C[C@@H]2NC(=O)CC[N+]1(C)CCOCC1	3152828	VQORVKOBAJQQRB-RLFYNMQTSA-O	309.474	2.184	5	40	DEBB	
Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]	7357268	DNQVHVGIWKWHAF-UHFFFAOYSA-N	311.294	2.117	5	40	DEBB	
CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)O)CC1	216931933	UYPJDKMUXFKRJX-UHFFFAOYSA-N	322.317	2.073	5	40	DEBB	
O=C(Nc1nnc(-c2ccncc2)o1)c1ccccc1[N+](=O)[O-]	4265067	YLMQUSPBDORKOL-UHFFFAOYSA-N	311.257	2.292	5	40	DEBB	
Cc1cc(S(=O)(=O)N[C@@H](C)c2cccnc2)ccc1[N+](=O)[O-]	71909093	HACQHSRSGFVXNN-NSHDSACASA-N	321.358	2.338	5	40	DEBB	
CN(C)c1cccc(COC(=O)c2ccc([N+](=O)[O-])cn2)c1	89326727	ZEYZAADTQTZKGJ-UHFFFAOYSA-N	301.302	2.413	5	40	DEBB	
COc1ncc(C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1	76093383	NGVVSDCOARMCNH-UHFFFAOYSA-N	301.302	2.488	5	40	DEBB	
COc1cccc([C@H](CO)Nc2ncc(C)cc2[N+](=O)[O-])c1	78668031	CGXZSPJLKULQJC-ZDUSSCGKSA-N	303.318	2.452	5	40	DEBB	
CC(C)(O)[C@@H]1CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1	96487216	RJIMNRHIJHQHGO-AWEZNQCLSA-N	306.362	2.289	5	40	DEBB	
O=[N+]([O-])c1ncn(Cc2ccc(Br)cc2F)n1	48374104	AFRLWWSABKLDSX-UHFFFAOYSA-N	301.075	2.136	5	40	DEBB	
Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1	16283978	MQRSKNRMJCUQTI-UHFFFAOYSA-N	308.275	2.458	5	40	DEBB	
Cc1ccc(S(=O)(=O)Nc2ccnc(C)c2)c([N+](=O)[O-])c1	79029279	DTVFDFLGYNUJGF-UHFFFAOYSA-N	307.331	2.407	5	40	DEBB	
CCc1cnc(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)s1	81203841	ULLZVXHIAQGGLV-UHFFFAOYSA-N	320.374	2.168	5	40	DEBB	
CCOC(=O)C(C(=O)OCC)c1ccc(Cl)cc1[N+](=O)[O-]	44200540	SLPUCKKOZVJCJW-UHFFFAOYSA-N	315.709	2.458	5	40	DEBB	
Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)c1	195055330	GFRGZPBBNGLBPD-UHFFFAOYSA-N	314.345	2.294	5	40	DEBB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1	195695085	PBBVVCXTRBPIGO-UPJWGTAASA-N	308.382	2.368	5	40	DEBB	
CC[C@@](Cl)([C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96520573	KPVNLJRVUUQBGA-MNOVXSKESA-N	307.755	2.018	5	40	DEBB	
Cc1ccc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])c1	97212766	SSPYPCXQTGFJBM-UHFFFAOYSA-N	319.405	2.452	5	40	DEBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2c[nH]nc12	24381176	UFWCQDMKHITBDH-UHFFFAOYSA-N	318.314	2.272	5	40	DEBB	
Cc1ccn2cc(CNc3c([N+](=O)[O-])c(C)nn3C)nc2c1	58157312	XBDJPPMRUNAKFG-UHFFFAOYSA-N	300.322	2.205	5	40	DEBB	
O=C(Cn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1	50131336	UNHUGXYDGOOIDU-UHFFFAOYSA-N	310.107	2.437	5	40	DEBB	
CSc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-]	9621526	RQMDAJPIBIWLFS-QMMMGPOBSA-N	324.358	2.141	5	40	DEBB	
CCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	72275946	BRXIDSYFTAKYDL-UHFFFAOYSA-N	313.360	2.415	5	40	DEBB	
O=C(NCCOc1ccc2ccccc2c1)[C@H]1C[C@H]1[N+](=O)[O-]	47272250	LOKKNEHJINGQCZ-LSDHHAIUSA-N	300.314	2.000	5	40	DEBB	
Cc1csc(-c2c(N)n(C)c(=O)c3cc([N+](=O)[O-])ccc23)n1	3208131	UGPHKRGOHNPDPC-UHFFFAOYSA-N	316.342	2.461	5	40	DEBB	
Cc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cn1	45621653	FVBOMAXHJHMWRT-UHFFFAOYSA-N	300.318	2.298	5	40	DEBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(Cl)cn1	14640025	GGUSENRTHQOSKP-UHFFFAOYSA-N	308.681	2.056	5	40	DEBB	
CN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1	69584279	PXRIPMIGNGTVBH-UHFFFAOYSA-N	305.378	2.128	5	40	DEBB	
COc1cccc(C(=O)N(C)[C@@H](C)c2cnn(C)c2)c1[N+](=O)[O-]	194833056	BSDVSGGNXXVKAI-JTQLQIEISA-N	318.333	2.170	5	40	DEBB	
O=C(NCc1cn2ccsc2n1)c1ccccc1[N+](=O)[O-]	16672864	IJAFYXIXYDGWCX-UHFFFAOYSA-N	302.315	2.234	5	40	DEBB	
Cc1nn(CC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	101616007	STBDLLKQQLGKQE-JHEVNIALSA-N	306.366	2.041	5	40	DEBB	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)n1cncn1	56988315	AANTXSSGEYWPRD-GFCCVEGCSA-N	317.349	2.185	5	40	DEBB	
Cc1cccc(C)c1OC[C@@H](O)CNc1ncccc1[N+](=O)[O-]	58434935	SQNINIMHNXITSX-ZDUSSCGKSA-N	317.345	2.458	5	40	DEBB	
CC(C)(C)NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	3337933	XGMABDGSOYGZIR-UHFFFAOYSA-N	314.725	2.320	5	40	DEBB	
O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H](O)c1ccc(F)cc1)CC2	97110205	LJHNDKLOEYDRSS-MRXNPFEDSA-N	317.320	2.221	5	40	DEBB	
CN(C)c1ccnc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1	97101463	NOMXMZCZYWWGNF-UHFFFAOYSA-N	312.329	2.259	5	40	DEBB	
Cc1c(N)cccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	36296272	QDMRZOBBCJGXBC-UHFFFAOYSA-N	307.331	2.286	5	40	DEBB	
C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(N)c(=O)c3cc2c1=O	40398614	MNVVLMDRNYRTLT-BDJLRTHQSA-N	324.384	2.176	5	40	DEBB	
COCCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1	95425679	BIWUJSSJQDJJHC-UHFFFAOYSA-N	307.350	2.034	5	40	DEBB	
Cc1ccc2nc(CNc3c([N+](=O)[O-])c(C)nn3C)cn2c1	54836288	URKFUGNBTRUZFO-UHFFFAOYSA-N	300.322	2.205	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CNCC2	75572477	XBFHISMRGQZXTG-UHFFFAOYSA-N	319.346	2.341	5	40	DEBB	
O=C(Nc1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCCO2	9117834	MTURAJARZGMNTG-UHFFFAOYSA-N	301.258	2.013	5	40	DEBB	
CN(Cc1ccco1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	67374977	BKYKKXXFMZIZSS-HNNXBMFYSA-N	315.329	2.425	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C)o1	33553134	FUYSKYXJYCCTAN-UHFFFAOYSA-N	324.318	2.026	5	40	DEBB	
CC(=O)c1cc([N+](=O)[O-])ccc1NCCCO[C@@H]1CCOC1	225822206	PBUSKPAUJDUVSM-CYBMUJFWSA-N	308.334	2.405	5	40	DEBB	
N#CN(Cc1noc(C2CC2)n1)c1ccc(F)c([N+](=O)[O-])c1	95427891	ZXSZIWALNCBJDK-UHFFFAOYSA-N	303.253	2.482	5	40	DEBB	
O=C(C1CCCC1)N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1	32831203	IXXKHXSJUSGFLY-UHFFFAOYSA-N	318.377	2.219	5	40	DEBB	
CC(C)(C)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	48210416	RNUIZIQCSZWWJP-UHFFFAOYSA-N	303.322	2.123	5	40	DEBB	
CC(C)[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])c1)c1ccc(F)cc1	12748489	CXLKCJQFUXYTNT-OAHLLOKOSA-N	320.324	2.444	5	40	DEBB	
Cc1cc(NC(=O)NCc2nncn2C2CC2)ccc1[N+](=O)[O-]	97049340	CGORIFNUOAEUSO-UHFFFAOYSA-N	316.321	2.151	5	40	DEBB	
Cc1nn(CCC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-]	95994614	HDAYHASIMJFKOL-UHFFFAOYSA-N	310.260	2.407	5	40	DEBB	
Cc1nn(Cc2nc(Cc3ccccc3)no2)c(C)c1[N+](=O)[O-]	31645429	ZKMWHFUVXXFOKU-UHFFFAOYSA-N	313.317	2.430	5	40	DEBB	
O=[N+]([O-])c1cc(NCn2nnc3ccccc32)cc([N+](=O)[O-])c1	3149575	XQUPXHOIVKCWRN-UHFFFAOYSA-N	314.261	2.317	5	40	DEBB	
COC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-]	12765551	ICRUVCFQZMUIEU-HBWSCVEGSA-N	318.329	2.162	5	40	DEBB	
O=C(CCNc1ccccc1[N+](=O)[O-])O[C@H]1CCCCC1=O	11310751	NJUXSIAMICEMEL-AWEZNQCLSA-N	306.318	2.452	5	40	DEBB	
O=C(NC1=NCCS1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	36724835	MLCQZRYEZVIRHX-UHFFFAOYSA-N	320.374	2.028	5	40	DEBB	
CC(C)(C)OC(=O)N1CC[C@H]1COc1cccnc1[N+](=O)[O-]	39175575	PGOXRCXMJUXGQA-JTQLQIEISA-N	309.322	2.378	5	40	DEBB	
O=[N+]([O-])c1ccc(N[C@H](CO)Cc2ccc(O)cc2)c(F)c1	195555577	OCYKKRZTZGISRU-NSHDSACASA-N	306.293	2.455	5	40	DEBB	
Cc1ncc(CN(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])s1	58407557	WBFPCQUUBCRCRD-UHFFFAOYSA-N	306.347	2.095	5	40	DEBB	
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1C1CC1	5271666	HVNWXJWJSMUVTK-UHFFFAOYSA-N	315.329	2.393	5	40	DEBB	
Cc1cccc(N2CCC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-]	225459113	LQNWTRBRGMNLPD-OAHLLOKOSA-N	319.405	2.452	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2	101915292	SWWHVVWCZKZCHG-NUZBWSBOSA-N	316.313	2.365	5	40	DEBB	
CCCCN(C)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	58430629	HDQLWGGDRPVQDQ-UHFFFAOYSA-N	321.377	2.304	5	40	DEBB	
O=C(c1ccn2ccnc2c1)N1CCc2c(cccc2[N+](=O)[O-])C1	95441632	RROMDHFBEIQMMM-UHFFFAOYSA-N	322.324	2.441	5	40	DEBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1C(N)=O	69571581	LMNHYEKYKLUPQV-AWEZNQCLSA-N	321.377	2.222	5	40	DEBB	
O=C(OC1CCN(CC(F)F)CC1)c1ccccc1[N+](=O)[O-]	97079897	CXHSRAHHTKTWPZ-UHFFFAOYSA-N	314.288	2.481	5	40	DEBB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N3CCCC3)cc21	72422439	BHRXKKNWOCRVIN-UHFFFAOYSA-N	304.350	2.351	5	40	DEBB	
O=[N+]([O-])c1cc(Cl)ccc1NC[C@]1(CCO)CCOC1	96474612	JPMGTXDNDRLGBX-ZDUSSCGKSA-N	300.742	2.449	5	40	DEBB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCOCC1	5003388	AFBPXWUCOGYWBU-XWTMOSNGSA-N	314.490	2.302	5	40	DEBB	
O=[N+]([O-])c1c(NC[C@H](CO)Cc2ccco2)nc2ccccn12	12736512	LDIWYSNDGFZJER-LLVKDONJSA-N	316.317	2.099	5	40	DEBB	
O=C(NO[C@@H]1CCCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1	58370475	BCFOSNAVUYVWGG-GFCCVEGCSA-N	305.290	2.264	5	40	DEBB	
Cc1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1	2638856	DOJCTDHCDAIGCU-UHFFFAOYSA-N	304.258	2.292	5	40	DEBB	
Cc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1[N+](=O)[O-]	25250370	ADTHYGFTPYCRLI-UHFFFAOYSA-N	324.296	2.163	5	40	DEBB	
COc1cc(F)ccc1NCCn1cc([N+](=O)[O-])ccc1=O	95445293	LAHVYDDINRWIPQ-UHFFFAOYSA-N	307.281	2.016	5	40	DEBB	
O=C(NC(=S)NNc1ccccc1)c1cccc([N+](=O)[O-])c1	14257591	LZZLBPHLODSAMS-UHFFFAOYSA-N	316.342	2.226	5	40	DEBB	
O=C(CCCNc1ccccc1[N+](=O)[O-])NCc1ccncc1	32747740	YWJXKOGDZAKUGV-UHFFFAOYSA-N	314.345	2.498	5	40	DEBB	
O=C(NCCOc1ccc2ccccc2c1)[C@@H]1C[C@@H]1[N+](=O)[O-]	47272247	LOKKNEHJINGQCZ-CABCVRRESA-N	300.314	2.000	5	40	DEBB	
CCOC(=O)[C@H](C)Oc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-]	151047	HYBLTDNQRAZTNX-VIFPVBQESA-N	321.285	2.340	5	40	DEBB	
Cc1cc(C)n(-c2ccccc2NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])n1	44490605	OJUZQZGRZAEKIZ-FZMZJTMJSA-N	300.318	2.093	5	40	DEBB	
C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)O1	11560725	UBZZQWKOBBELCD-RYUDHWBXSA-N	307.350	2.033	5	40	DEBB	
CCc1cc(NC[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1	64904528	NOPARAIOTPVGGA-JTQLQIEISA-N	302.334	2.407	5	40	DEBB	
Nc1nc(N2CCCC2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-]	4306338	GJRJSHMBCOLHLW-UHFFFAOYSA-N	318.312	2.450	5	40	DEBB	
CC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])o1	72274393	PBGAVODQWWTIIK-UHFFFAOYSA-N	321.264	2.215	5	40	DEBB	
CC[C@@]1(C)CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1	195574720	JZBJYAVNGITNHM-HNNXBMFYSA-N	307.350	2.305	5	40	DEBB	
CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	96418851	RMSJPTBAKZEWNE-BMFZPTHFSA-N	318.373	2.409	5	40	DEBB	
CCn1c(C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	13989772	FREHKIFAXWYIHM-UHFFFAOYSA-N	321.362	2.245	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CC[C@H](CCO)C2)cc1OC(F)F	78366017	WEDZCTRFQGTJOM-SECBINFHSA-N	302.277	2.405	5	40	DEBB	
Nc1nc(Nc2cccc(F)c2)nc(N2CCCC2)c1[N+](=O)[O-]	5249794	NQSFHSFRHASVJN-UHFFFAOYSA-N	318.312	2.450	5	40	DEBB	
O=C(c1ccco1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	9220725	WWAMCRYSVLPGQN-UHFFFAOYSA-N	301.302	2.150	5	40	DEBB	
O=C(NC1CCSCC1)c1cc(F)c(F)cc1[N+](=O)[O-]	67992816	XKRSNNXPZUZXBQ-UHFFFAOYSA-N	302.302	2.498	5	40	DEBB	
Cc1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-]	91926938	CAIAEWKMFBPYDZ-JKSUJKDBSA-N	306.362	2.283	5	40	DEBB	
C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(F)c1	97032985	KABUUTDHAUXMTJ-JTQLQIEISA-N	323.299	2.386	5	40	DEBB	
COc1cc(NC(=O)CSc2ncccn2)ccc1[N+](=O)[O-]	408559320	ZEUZOAUGYGBRJI-UHFFFAOYSA-N	320.330	2.124	5	40	DEBB	
CCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])nc1C	72332091	SEQHSVQMWNTGAC-UHFFFAOYSA-N	302.334	2.148	5	40	DEBB	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccnc2)c1	79042869	DUSLIPZJSIEAHL-JTQLQIEISA-N	301.302	2.489	5	40	DEBB	
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1NCc1ccccc1	4922460	WLKFYYVWBXUHAT-UHFFFAOYSA-N	311.301	2.026	5	40	DEBB	
O=[N+]([O-])c1cccc(CSc2nc(O)c3nc[nH]c3n2)c1	7996341	DIKVHTCRLXZEJN-UHFFFAOYSA-N	303.303	2.259	5	40	DEBB	in-vitro
Cc1nc(C2(NCn3cc([N+](=O)[O-])cn3)CCCCCC2)no1	71858770	CKVIWKZURIAKMU-UHFFFAOYSA-N	320.353	2.280	5	40	DEBB	
COC[C@](C)(NC(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	76091243	PEHOSBBZZAXTHQ-NSHDSACASA-N	306.240	2.292	5	40	DEBB	
CCC(=O)Cc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1	59475041	KOBLPBHIUQWSEJ-UHFFFAOYSA-N	320.330	2.220	5	40	DEBB	
CCC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)cc1	48254067	VVRDFQSKBYQXAQ-UHFFFAOYSA-N	315.285	2.474	5	40	DEBB	
CCN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O	95470773	YMRWGCJZNAPYLG-UHFFFAOYSA-N	315.241	2.272	5	40	DEBB	
CCc1ccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-]	81506900	QNEPBIKQQGINEW-CMPLNLGQSA-N	305.334	2.216	5	40	DEBB	
O=C(NC(=S)Nc1cccc(O)c1)c1cccc([N+](=O)[O-])c1	5580746	RSOFLHXSKHIBKN-UHFFFAOYSA-N	317.326	2.427	5	40	DEBB	
COc1ccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F	55861016	VRXPTKCOKPRMJZ-UHFFFAOYSA-N	319.292	2.454	5	40	DEBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)n1	4306317	POXJZCJYZIQCEX-UHFFFAOYSA-N	308.729	2.430	5	40	DEBB	
O=c1[nH]c(-c2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc12	13945833	GEHMOXZSTBXQGX-UHFFFAOYSA-N	311.253	2.227	5	40	DEBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCCO	4409839	JVVBEXCBMOLVAQ-UHFFFAOYSA-N	309.200	2.316	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)C1	12660094	XRYRZSHBFVKDJG-TXEJJXNPSA-N	320.345	2.256	5	40	DEBB	
C[N+]1(CCC[N+]2(C)C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)CCOCC1	100132924	JMKKOXFXRSJPNL-VJANTYMQSA-N	306.494	2.142	5	40	DEBB	in-vitro
Cc1ocnc1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1	96010117	KLKHNYHEVLJXBC-UHFFFAOYSA-N	305.290	2.314	5	40	DEBB	
CN(C)C(=O)COc1cc(O)c2c(=O)c3ccccc3oc2c1	6623922	ZCHGWJKYJGFEAE-UHFFFAOYSA-N	313.309	2.119	5	40	DEBB	biogenic
CN(C)CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1	71904021	DFCQHMOZSFIPLU-UHFFFAOYSA-N	319.405	2.328	5	40	DEBB	
O=[N+]([O-])c1ccc(-c2nnc(S)n2C[C@@H]2CCCO2)cc1	6058896	AFAZLLLNNKTJFF-NSHDSACASA-N	306.347	2.321	5	40	DEBB	
COC(=O)c1cc(C(=O)NCc2cccs2)cc([N+](=O)[O-])c1	3557928	ARDAHKFGAWMWMX-UHFFFAOYSA-N	320.326	2.373	5	40	DEBB	
CCn1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])ccc1=O	47181606	WQARPDWJIVYYRA-VQHVLOKHSA-N	313.313	2.428	5	40	DEBB	
C[C@@H](Cn1ccnc1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	47265014	JCRPYXMSLBWIJO-SYTKJHMZSA-N	300.318	2.009	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C)Cc1ccco1	24492165	NZBAIHJIXNTNMV-UHFFFAOYSA-N	320.301	2.234	5	40	DEBB	
O=[N+]([O-])c1cnc(N2CCc3[nH]ncc3C2)c(Br)c1	95407598	XUZJEQCNARBAEJ-UHFFFAOYSA-N	324.138	2.038	5	40	DEBB	
O=c1c2ccccc2nc2n1ccc1nc3ccccc3c(=O)n12	271839	FGRPFJJTAYSEHJ-UHFFFAOYSA-N	314.304	2.009	5	40	DEBB	biogenic
CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	4300136	MUHADTFHONLQDH-UHFFFAOYSA-N	317.267	2.282	5	40	DEBB	
CON(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	25155613	QHIRUDKNYOZAHS-LLVKDONJSA-N	307.350	2.465	5	40	DEBB	
CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1	5051350	SSOQKBNOMLUIQC-QMMMGPOBSA-N	306.326	2.383	5	40	DEBB	
O=[N+]([O-])c1ccc(C2=Nn3c(nnc3C3CC3)SC2)cc1	7780502	FAGPRBNEHRQFHT-UHFFFAOYSA-N	301.331	2.422	5	40	DEBB	
O=[N+]([O-])c1ccc(F)cc1CSCCN1CCOCC1	95977063	YLUNWSNAFOJVRL-UHFFFAOYSA-N	300.355	2.299	5	40	DEBB	
CC[C@H]([C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C)[N+](=O)[O-]	20113879	MQCPYEYBHUVZJP-ZWNOBZJWSA-N	308.334	2.008	5	40	DEBB	biogenic
CCn1cnn(CN(C)Cc2ccccc2[N+](=O)[O-])c1=S	25479321	VIHLQEQPGWJQDC-UHFFFAOYSA-N	307.379	2.432	5	40	DEBB	
O=C(c1ccccc1)N1N=CC[C@@]1(O)c1ccc([N+](=O)[O-])cc1	335288	LNPWHGQKLUNNOW-MRXNPFEDSA-N	311.297	2.272	5	40	DEBB	
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1csc([N+](=O)[O-])c1	79070549	KLOAUXZQZWGABK-SECBINFHSA-N	321.362	2.075	5	40	DEBB	
O=[N+]([O-])c1ccc(NCCc2nc[nH]n2)nc1-c1ccccc1	90111190	YDFJELAPONTDBH-UHFFFAOYSA-N	310.317	2.430	5	40	DEBB	
Cc1c(F)cc(S(=O)(=O)NC2CC=CC2)cc1[N+](=O)[O-]	97163802	JPVXJJHTWPZWFO-UHFFFAOYSA-N	300.311	2.039	5	40	DEBB	
O=[N+]([O-])c1cc(-n2cnnn2)ccc1NCC1CCSCC1	521394947	DKTFFYAJDLJPEJ-UHFFFAOYSA-N	320.378	2.126	5	40	DEBB	
CC[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1nc(C(F)(F)F)cs1	73278787	LKZQBYGLLLYJQF-VQVTYTSYSA-N	323.296	2.394	5	40	DEBB	
C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]2CC[C@H]1C2	102596331	YKJSYULAWIYHAE-MNXVOIDGSA-N	306.366	2.122	5	40	DEBB	
O=C(CSc1ncccn1)Nc1cc([N+](=O)[O-])ccc1F	3474893	UFALJVSKDTUCIK-UHFFFAOYSA-N	308.294	2.255	5	40	DEBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCCCCC2)n1	4305951	HFLBAKKANKDXFQ-UHFFFAOYSA-N	308.386	2.194	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1nc[nH]n1	95983120	DNFXZMYJGVSDTN-ZDUSSCGKSA-N	315.333	2.009	5	40	DEBB	
Cc1cc2c(c(=O)n1C)[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)O2	524734871	SDZZRKCETKNTLS-LLVKDONJSA-N	314.297	2.043	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccn1	5692660	BZIXMVCBCVKGSB-UHFFFAOYSA-N	315.285	2.094	5	40	DEBB	
COC(=O)CSc1cc([N+](=O)[O-])ccc1NC(=O)OC	4558096	NOOYUYODEJKREE-UHFFFAOYSA-N	300.292	2.038	5	40	DEBB	
O=C(O)CCCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1	3057414	IPSKODJCEYAYRB-UHFFFAOYSA-N	310.306	2.466	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)C1	6007749	JECVOHGLNGYZSU-UMVBOHGHSA-N	308.378	2.312	5	40	DEBB	
O=[N+]([O-])c1ccccc1NC[C@]1(N2CCOCC2)CCSC1	29625762	GCFSMRQTAKWRHN-OAHLLOKOSA-N	323.418	2.215	5	40	DEBB	
CCOc1ccc(CC(=S)N2CCOCC2)cc1[N+](=O)[O-]	409392448	PLSDGHWHJCAETA-UHFFFAOYSA-N	310.375	2.196	5	40	DEBB	
Cn1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c2ccccc21	33936253	WPJLLTRUBKOIPH-SREVYHEPSA-N	312.285	2.046	5	40	DEBB	
Cn1c(=O)c2c(O)c(Br)c(=O)oc2c2ccccc21	16364081	LMPXKYKNKVIOOE-UHFFFAOYSA-N	322.114	2.113	5	40	DEBB	
CC[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2	200699499	HKFMCZVBOTVKDM-VEWGOSPFSA-N	318.437	2.466	5	40	DEBB	
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2ccc(O)cc2C1	89780810	QMAUEEWBIMGUGN-UHFFFAOYSA-N	312.325	2.428	5	40	DEBB	
Cc1c(C(=O)OCC(=O)N2CCCCC2)cccc1[N+](=O)[O-]	3444769	KIONXXACMASFJU-UHFFFAOYSA-N	306.318	2.073	5	40	DEBB	
COc1cc(C(=O)N[C@@H]2CC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1C	195579917	NABSZIMXRUKSLC-OLZOCXBDSA-N	321.377	2.124	5	40	DEBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCO2	26543631	STUKJIPYDCIEGA-UHFFFAOYSA-N	320.326	2.331	5	40	DEBB	
C[C@H](OCC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O	89531059	PBTRXBRSJLEMIZ-LURJTMIESA-N	308.212	2.206	5	40	DEBB	
C[C@@](NCc1c(F)cccc1[N+](=O)[O-])(C(N)=O)c1ccccc1	96404052	WLHLESSPQGLGIP-INIZCTEOSA-N	317.320	2.224	5	40	DEBB	
O=C(NCc1cccnc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	46762611	JJOLXWLWVBOCQB-UHFFFAOYSA-N	323.312	2.106	5	40	DEBB	
C[C@@H]1CCCN(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)C1	46990424	LEJTVJUVEXCBKG-GFCCVEGCSA-N	309.366	2.430	5	40	DEBB	
CN(CC1CCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	83859101	FZMGWWWJXVWEDJ-UHFFFAOYSA-N	306.318	2.238	5	40	DEBB	
Cn1cnnc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1	31840547	UBIRGLLOVZVLFT-UHFFFAOYSA-N	318.318	2.066	5	40	DEBB	
CCOC(=O)/C=C/c1ncc(Br)cc1[N+](=O)[O-]	725384985	MRUCISKWEAUVMJ-ONEGZZNKSA-N	301.096	2.329	5	40	DEBB	
Cc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)n1	570287	ALQZFBKMCNOKEH-UHFFFAOYSA-N	316.342	2.425	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-]	13164342	PEGNMKPLIJQDQB-OPQQBVKSSA-N	308.382	2.349	5	40	DEBB	
C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2	12466871	PIPAJLPNWZMYQA-WFVVYAPDSA-N	304.410	2.076	5	40	DEBB	in-man
Cc1ccc(OCC(=O)N(C)C2CCCCC2)c([N+](=O)[O-])n1	12537507	FNWPFZPAXVYMFK-UHFFFAOYSA-N	307.350	2.468	5	40	DEBB	
COC(=O)C1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCCC1	69531658	QXQKYQUNCUEIFQ-UHFFFAOYSA-N	324.308	2.340	5	40	DEBB	
CC(C)n1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	96501011	VWNCFWOCOAEMNS-UHFFFAOYSA-N	310.335	2.173	5	40	DEBB	
O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cscn3)C2)nc1	96443415	MXLWDZMRYLYBMC-SNVBAGLBSA-N	305.363	2.133	5	40	DEBB	
O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1ccccc1	3229121	GSLHMYFJDNHZOV-UHFFFAOYSA-N	315.281	2.400	5	40	DEBB	
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCC1=CCCC1	96007530	AFURYGDGAGOGPN-UHFFFAOYSA-N	311.363	2.155	5	40	DEBB	
CC1(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCC1	97081747	UDRSBMUVBIEZGK-CYBMUJFWSA-N	303.318	2.147	5	40	DEBB	
CC(C)(C)OC(=O)N[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1	67800619	IUXNCGRUHMYCFX-JTQLQIEISA-N	308.338	2.093	5	40	DEBB	
Cc1noc(C)c1Cn1cc(Br)c([N+](=O)[O-])n1	40445653	POVMIGJWSVTONJ-UHFFFAOYSA-N	301.100	2.207	5	40	DEBB	
Cn1c(=O)nc2n(-c3ccccc3F)c3ccccc3cc-2c1=O	59497790	BBLZUJBWGGFXOV-UHFFFAOYSA-N	321.311	2.328	5	40	DEBB	
CC(C)Cn1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	96007291	UGIYPLLAYJSINX-UHFFFAOYSA-N	324.362	2.248	5	40	DEBB	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)CC1	69597744	PIHNRCAOGFXKOZ-SNVBAGLBSA-N	310.375	2.059	5	40	DEBB	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](Oc2ccccc2)C1	97031930	BTILTVLPZBWVGQ-GFCCVEGCSA-N	316.317	2.002	5	40	DEBB	
Cc1ccccc1[C@@H](O)CNC(=O)Cc1ccccc1[N+](=O)[O-]	79028399	RFHISFLBDSONBT-INIZCTEOSA-N	314.341	2.296	5	40	DEBB	
C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CCOC1	96486825	NZFWIXOASGZGMU-YUMQZZPRSA-N	300.261	2.028	5	40	DEBB	
O=[N+]([O-])c1cc(Br)cnc1NCCN1CC=CC1	101660545	PIWSTMJNRCCKCS-UHFFFAOYSA-N	313.155	2.036	5	40	DEBB	
N[C@H](CCCCNc1cc(Cl)ccc1[N+](=O)[O-])C(=O)O	5427236	QJYZLKYPUJELFS-SECBINFHSA-N	301.730	2.242	5	40	DEBB	
C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(C)c1ccccc1	5971209	MSETVVDHXXMHKR-NSHDSACASA-N	301.302	2.420	5	40	DEBB	
Cc1ccc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-]	63527721	QWEMSSQYIKWBIB-KRWDZBQOSA-N	317.389	2.461	5	40	DEBB	
C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	9855207	VVNWNSQULXOHCZ-LLVKDONJSA-N	313.313	2.411	5	40	DEBB	
CCOC(=O)c1cn[nH]c1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	71980855	ZYLOFYKNMRAVDI-UHFFFAOYSA-N	306.234	2.070	5	40	DEBB	
CC(C)(O)[C@H]1CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1	96487218	RJIMNRHIJHQHGO-CQSZACIVSA-N	306.362	2.289	5	40	DEBB	
O=C(O)[C@@H]1CC=CC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1	5769442	BXRUWSGGGSGTKS-CHWSQXEVSA-N	305.286	2.305	5	40	DEBB	
Cc1cc(N2CCC[C@@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1	58406790	GVJOBPRJYCXKPC-CQSZACIVSA-N	314.345	2.321	5	40	DEBB	
O=C1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CN1Cc1ccccc1	69869466	NHJWSCBGFLACAZ-ZDUSSCGKSA-N	312.329	2.203	5	40	DEBB	
Cc1c(CC(=O)N2CCC[C@@H]2C(C)(C)O)cccc1[N+](=O)[O-]	195547576	VHAPVUBKUSFVAS-CQSZACIVSA-N	306.362	2.208	5	40	DEBB	
O=C(CN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1	98181059	YBSQWUGAQJALJS-UHFFFAOYSA-N	310.265	2.074	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCCCN1CCCCC1	13667971	MCMYVAXXYUXADN-UHFFFAOYSA-N	305.378	2.130	5	40	DEBB	
COc1cccc2c(=O)c3c(O)cc(OCC(=O)O)cc3oc12	20756887	OMEIZLQZJMYPKW-UHFFFAOYSA-N	316.265	2.124	5	40	DEBB	biogenic
Cc1nn(C)c(N(C)CCOc2ccccc2F)c1[N+](=O)[O-]	47331119	OWJWOZORRLUSOD-UHFFFAOYSA-N	308.313	2.291	5	40	DEBB	
O=C(NC1CC1)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1	4660515	AQTFZIMHZSGYCF-LBPRGKRZSA-N	305.334	2.078	5	40	DEBB	
C/C=C/C=C/C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	96412543	PLUZUEMGFCEAPQ-JXVRCYGRSA-N	302.334	2.135	5	40	DEBB	
Cc1nn(C)c(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1[N+](=O)[O-]	101988347	YDFMWYMVTGEARZ-JTLRNRKASA-N	306.366	2.191	5	40	DEBB	
NC(=O)CNc1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1	549862	PKDPZKOKEYRMAW-UHFFFAOYSA-N	323.312	2.102	5	40	DEBB	
O=C(CCn1cnc([N+](=O)[O-])c1)Nc1nc2c(s1)CCCC2	12525527	UATZSMVTPYAMRS-UHFFFAOYSA-N	321.362	2.155	5	40	DEBB	
O=C(Cc1cccc(O)c1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12	89888201	KWSMQCGQQYSEQX-UHFFFAOYSA-N	312.285	2.358	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC3(CCC3)C2)cc1	96502004	DANWGUVRQPTCAM-UHFFFAOYSA-N	324.402	2.245	5	40	DEBB	
O=[N+]([O-])c1ccc(OS(=O)(=O)n2cnc3ccccc32)cc1	5387761	IOVGBSUHNOZFLJ-UHFFFAOYSA-N	319.298	2.116	5	40	DEBB	
Cc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1[N+](=O)[O-]	4549184	LSCUKKLCFFDJEO-UHFFFAOYSA-N	323.312	2.440	5	40	DEBB	
Cc1cnc(NC(=O)[C@@H](C)Cn2nc([N+](=O)[O-])cc2C)s1	2792069	CEYSVPXPMYAVDW-ZETCQYMHSA-N	309.351	2.139	5	40	DEBB	
O=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N=C(O)C1(Cl)Cl	3957984	IDWRPPGWYFFFJY-UHFFFAOYSA-N	320.044	2.461	5	40	DEBB	
CCc1nccn1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	4032169	WCDWVAFAEOAJET-UHFFFAOYSA-N	315.738	2.244	5	40	DEBB	
CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)C(OC)OC	585141773	XXHLWTMPFDUBKT-SNVBAGLBSA-N	311.338	2.422	5	40	DEBB	
Cn1cc(N2CCC[C@@H](Nc3ccccc3[N+](=O)[O-])C2)cn1	78367954	YCHRTEWKPKPZBH-GFCCVEGCSA-N	301.350	2.409	5	40	DEBB	
Cc1cc(S(=O)(=O)NCc2ccco2)cc([N+](=O)[O-])c1C	7616221	KREQLUJIIWAEDK-UHFFFAOYSA-N	310.331	2.283	5	40	DEBB	
O=[N+]([O-])c1cccc2c1nnn2C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	100126084	YJHYNMFMFAOKRK-CHISNJGVSA-N	314.345	2.380	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1-n1cccn1	25012821	DPFRIBDVQHMSHA-UHFFFAOYSA-N	323.312	2.357	5	40	DEBB	
O=C(Cn1ccnc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F	93967668	YXDKOPRQBHPNFU-UHFFFAOYSA-N	312.232	2.031	5	40	DEBB	
CN(Cc1cccs1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	8150659	WQSMYDNGUPYEEW-UHFFFAOYSA-N	312.372	2.477	5	40	DEBB	
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CO)C2)cc1[N+](=O)[O-]	84190173	OFCOQYRGFHYMDX-QWHCGFSZSA-N	321.377	2.378	5	40	DEBB	
Nc1nc(N2CCCCC2)nc(N2CCCCCC2)c1[N+](=O)[O-]	5163676	LBWGLCUQXQCNSJ-UHFFFAOYSA-N	320.397	2.338	5	40	DEBB	
Cc1cc(S(=O)(=O)NCc2ccncc2)cc([N+](=O)[O-])c1C	16780495	OHUGHKHHUOUAGD-UHFFFAOYSA-N	321.358	2.085	5	40	DEBB	
Cc1c(F)cc(C(=O)Nc2nnc3ccccn23)cc1[N+](=O)[O-]	44966795	MOXDUERLOWSPCD-UHFFFAOYSA-N	315.264	2.337	5	40	DEBB	
COc1cc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)c(C)cc1[N+](=O)[O-]	4863576	MBRFPNBXBTUSRI-WPRPVWTQSA-N	322.317	2.050	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1	72294414	RJXUURQSHVVHCG-LBPRGKRZSA-N	318.251	2.043	5	40	DEBB	
CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1/C=C/C(=O)O	2527016	DNMDEADYSRIRKS-VOTSOKGWSA-N	304.258	2.351	5	40	DEBB	
Cc1cc(C(=O)O[C@H](C)C(=O)N2CCCC2)ccc1[N+](=O)[O-]	5635568	ONEJCTSDURJMME-LLVKDONJSA-N	306.318	2.071	5	40	DEBB	
COc1ccc(OCCOC(=O)c2cc([N+](=O)[O-])cn2C)cc1	21839902	YOYONOCIRYPAKX-UHFFFAOYSA-N	320.301	2.178	5	40	DEBB	
COCC(=O)Nc1ccc(Nc2ncccc2[N+](=O)[O-])cc1	12544966	WUEYAZDBHCGGGV-UHFFFAOYSA-N	302.290	2.318	5	40	DEBB	
C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])C1	21744640	REATURVWTVFWNF-SDDRHHMPSA-N	307.350	2.262	5	40	DEBB	
C[C@H]1c2cccn2CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	6949134	DCXAURVIBITNRC-NSHDSACASA-N	321.358	2.162	5	40	DEBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)CCc1ccccc1	72332102	AEQYYYJNEDYWLK-GFCCVEGCSA-N	316.361	2.237	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])C1	21744637	REATURVWTVFWNF-IJLUTSLNSA-N	307.350	2.262	5	40	DEBB	
CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	409192145	AWTOFTDDOHOONU-WQLSENKSSA-N	313.269	2.377	5	40	DEBB	
COc1ccc(OCCCn2cc([N+](=O)[O-])ccc2=O)cc1	31672217	XJMDVOPIHSGMLC-UHFFFAOYSA-N	304.302	2.234	5	40	DEBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN(C2CC2)C1	71888993	VYZSBLMRESQRAZ-GBXSZLQWSA-N	315.373	2.209	5	40	DEBB	
CN1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1	71256236	KOMOLYCXAZZBOA-UHFFFAOYSA-N	314.183	2.105	5	40	DEBB	
Cc1ccc(C(=O)N2CCC3(CCN(C)CC3)C2)cc1[N+](=O)[O-]	96268557	VRSJCWPYEXPTCL-UHFFFAOYSA-N	317.389	2.461	5	40	DEBB	
O=[N+]([O-])c1cccnc1N[C@H](Cn1cncn1)c1ccccc1	96429583	ZYVPSMDJAXQQMA-CYBMUJFWSA-N	310.317	2.435	5	40	DEBB	
CC(C)OC(=O)c1ccn(Cc2csc([N+](=O)[O-])c2)c(=O)c1	97376153	RUHMTAIASPQFRL-UHFFFAOYSA-N	322.342	2.432	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)c1ccccc1	13624693	YURZNYBGXWPILC-HNNXBMFYSA-N	314.297	2.079	5	40	DEBB	
COc1cccc(NC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c1	10327325	WXJHORLHSRJUPX-UHFFFAOYSA-N	315.285	2.181	5	40	DEBB	
CCC1([N+](=O)[O-])COP(=O)(OC(=O)c2ccccc2)OC1	1702944	HTGQQTSXDFSUKS-UHFFFAOYSA-N	315.218	2.424	5	40	DEBB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-]	16093356	YJGQEVWSNMNTBP-UHFFFAOYSA-N	314.363	2.024	5	40	DEBB	
O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2cn[nH]c2)C1	97080104	SETWFBKDIXXVMW-LLVKDONJSA-N	316.317	2.043	5	40	DEBB	
COc1ccc(NC(=O)NCC(C)(C)N(C)C)c([N+](=O)[O-])c1	40497851	DGCSGSIYMXIGBA-UHFFFAOYSA-N	310.354	2.065	5	40	DEBB	
O=C(O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	3268220	QHMZISCDKSPNIG-UHFFFAOYSA-N	323.282	2.061	5	40	DEBB	
Cc1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1	65565227	XEGNRINDLVQFTO-UHFFFAOYSA-N	313.360	2.469	5	40	DEBB	
COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC3(C2)OCCO3)c1	95990697	CKCBBNJHMHKXJG-SECBINFHSA-N	312.297	2.450	5	40	DEBB	
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ncccn1	1849721	TYIBMKHHXYPKEW-UHFFFAOYSA-N	322.258	2.142	5	40	DEBB	
O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(C2CC2)on1	64777911	BBGVCDHGQDCOKK-UHFFFAOYSA-N	301.302	2.433	5	40	DEBB	
O=C(COc1cccc([N+](=O)[O-])c1)NCCC[C@H]1CCC[C@@H]1O	89780693	UCFLLCYRKYGMFO-DOMZBBRYSA-N	322.361	2.031	5	40	DEBB	
O=[N+]([O-])c1c(N(C[C@H]2CCOC2)C2CC2)nc2ccccn12	167539471	DGYBNIWMGXIKCA-LLVKDONJSA-N	302.334	2.248	5	40	DEBB	
Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])n1	12534321	GPNIDDVDNAYOHE-UHFFFAOYSA-N	305.265	2.455	5	40	DEBB	
Cc1nc(N2CCOCC2)nc(Oc2ccccc2)c1[N+](=O)[O-]	4980863	DPSGYOQPECWOKA-UHFFFAOYSA-N	316.317	2.322	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@H](O)COc2cccc3ccccc23)cn1	24832479	NBJGPTBLDGHEEW-ZDUSSCGKSA-N	313.313	2.384	5	40	DEBB	
O=[N+]([O-])c1ccnn1C[C@H](O)COc1ccc2ccccc2c1	58416659	ONJHLUOWSIAGBU-AWEZNQCLSA-N	313.313	2.384	5	40	DEBB	
CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1	12137709	BULNLRBXTYVNHT-PTNGSMBKSA-N	317.345	2.084	5	40	DEBB	
N=c1sccn1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	6321139	SOUVKDYFLYBBQY-UHFFFAOYSA-N	312.738	2.229	5	40	DEBB	
COC(=O)c1cc(C(=O)OCc2cc(C)no2)cc([N+](=O)[O-])c1	25400794	GDHBGVCMUUVRQT-UHFFFAOYSA-N	320.257	2.035	5	40	DEBB	
O=[N+]([O-])c1cccc(CSc2nnnn2CC(F)(F)F)c1	72067905	KDWDYWASISOBES-UHFFFAOYSA-N	319.268	2.436	5	40	DEBB	
O=c1c2ccccc2nc2c3ccccc3c(NCCCO)nn12	2889013	NSVHBZXYSNOPED-UHFFFAOYSA-N	320.352	2.190	5	40	DEBB	
Cc1ccc(C(=O)NC[C@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-]	10220530	YTMHUZUJMHHSBF-ZDUSSCGKSA-N	320.345	2.319	5	40	DEBB	
Cc1c([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)nn1C	101988391	FNGDPHYAAHYWBE-JTLRNRKASA-N	306.366	2.191	5	40	DEBB	
Cc1noc(C)c1COC(=O)COc1ccccc1[N+](=O)[O-]	3313925	PQPCYQIBXMDQPW-UHFFFAOYSA-N	306.274	2.322	5	40	DEBB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CC1	7108101	VSNZOEFIJFXWQZ-SSDOTTSWSA-N	312.709	2.072	5	40	DEBB	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)Cn1ccc([N+](=O)[O-])n1	69416964	GTZXEJIVUBQDHW-VIFPVBQESA-N	322.287	2.227	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	222388871	AYWZFTGIMWRJHE-UXOAXIEHSA-N	312.325	2.292	5	40	DEBB	
Cc1csc(N(C(=O)CCn2cc([N+](=O)[O-])cn2)C2CC2)n1	96418444	YAXKZNOBCDYRGV-UHFFFAOYSA-N	321.362	2.142	5	40	DEBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N(C)C)C1	106163602	LERLPENLESAIQV-TZMCWYRMSA-N	305.378	2.456	5	40	DEBB	
CCS(=O)(=O)[C@@](C)(Cl)C(=O)c1cccc([N+](=O)[O-])c1	96518356	UVWIADXAJCNASQ-LLVKDONJSA-N	305.739	2.167	5	40	DEBB	
CCC(CC)c1cc(CNc2ncc([N+](=O)[O-])c(N)n2)on1	96429705	FXMROBALGBVWHZ-UHFFFAOYSA-N	306.326	2.471	5	40	DEBB	
C[C@@H]1Oc2ccc(Nc3ncccc3[N+](=O)[O-])cc2NC1=O	12527048	PHKYVLSXJHJPHH-QMMMGPOBSA-N	300.274	2.453	5	40	DEBB	
CO[C@H](C)c1noc(CN2CCc3cc([N+](=O)[O-])ccc32)n1	83115454	CEWFOYIZBPNTNZ-SECBINFHSA-N	304.306	2.248	5	40	DEBB	
CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	4180857	XSHAMHZOSLMXSW-UHFFFAOYSA-N	323.305	2.283	5	40	DEBB	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)NC(=O)OCc1ccccc1	1857795729	KAPRPWVZYHKXMA-NSHDSACASA-N	304.306	2.106	5	40	DEBB	
CN1CCN(CC2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1	57151556	GYIDQDNUWSJPHE-UHFFFAOYSA-N	318.421	2.059	5	40	DEBB	
CC(C)CNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1	5142061	SXBBXQWXGXOIGR-UHFFFAOYSA-N	306.326	2.240	5	40	DEBB	
O=C1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CN1Cc1ccccc1	69869463	NHJWSCBGFLACAZ-CYBMUJFWSA-N	312.329	2.203	5	40	DEBB	
Cc1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n(C)n1	56081005	AWKHMRKJVKPCPE-UHFFFAOYSA-N	317.349	2.468	5	40	DEBB	
C[C@H](S[C@H](C)CO)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	72302598	LOLHBIYVUSYDSR-SFYZADRCSA-N	302.327	2.175	5	40	DEBB	
O=C1COc2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	6756673	YUODYDNQBJQVMR-UHFFFAOYSA-N	312.281	2.156	5	40	DEBB	
CC(=O)c1cc([N+](=O)[O-])c(NCCn2ccccc2=O)s1	97083870	RQEJSCYTDWGRKO-UHFFFAOYSA-N	307.331	2.133	5	40	DEBB	
O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1COc2ccccc21	89540751	CUGKTZYRMVNCNY-NSHDSACASA-N	300.270	2.415	5	40	DEBB	
O=C(O)[C@H]1CCCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1	39004348	DIBPQQBSUIVMNG-GFCCVEGCSA-N	308.290	2.171	5	40	DEBB	
CC(=O)c1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	3304280	JHWYPQSAGHECAR-UHFFFAOYSA-N	316.317	2.249	5	40	DEBB	
O=C([C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1	54991993	QHRRZWDMRXTWFR-OAHLLOKOSA-N	317.389	2.429	5	40	DEBB	
CCn1c(C)cc(C(=O)Cn2cccc([N+](=O)[O-])c2=O)c1C	58357869	ABULUYJVSNYIOZ-UHFFFAOYSA-N	303.318	2.078	5	40	DEBB	
CC(C)(C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl	3514017	RPEWIJFQCPEHBH-UHFFFAOYSA-N	314.725	2.320	5	40	DEBB	
COC(=O)[C@@](C)(Br)Cc1cccc([N+](=O)[O-])c1	5214595	RPDUHBRAXKPRIG-NSHDSACASA-N	302.124	2.464	5	40	DEBB	
COc1c(Br)c2c(c([N+](=O)[O-])c1OC)C(=O)OC2	1698802	NKLQSWRMBNNBMO-UHFFFAOYSA-N	318.079	2.045	5	40	DEBB	
CCOC(=O)CCC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	2182500	OGHIZICFGRSMFR-UHFFFAOYSA-N	311.290	2.138	5	40	DEBB	
O=[N+]([O-])c1ccc(F)cc1CN1CCN(CC(F)(F)F)CC1	51159079	CGLURUKHABEAHH-UHFFFAOYSA-N	321.274	2.414	5	40	DEBB	
CC(C)(c1nc2c3ccccc3ncn2n1)n1cc([N+](=O)[O-])cn1	2806273	FXKWPTAUSFTQOR-UHFFFAOYSA-N	323.316	2.166	5	40	DEBB	
Cc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1[N+](=O)[O-]	95447353	PLLQKRZDBQTVBB-UHFFFAOYSA-N	311.294	2.238	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	100178326	KQWIHAFWGICYBX-QLKXBERHSA-N	310.309	2.152	5	40	DEBB	
C[C@@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1	95422655	RBLBMKCWTJCNJZ-WBMJQRKESA-N	317.393	2.282	5	40	DEBB	
CN1CCCC[C@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1	69563072	UMJXSIGWEOSLPW-HNNXBMFYSA-N	318.421	2.201	5	40	DEBB	
CC(C)(C)c1noc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1	31822135	GOXQRMBVNYYMJN-UHFFFAOYSA-N	318.289	2.232	5	40	DEBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)c1cccs1	96437193	OSKGXKRYMOWNEM-GFCCVEGCSA-N	306.343	2.049	5	40	DEBB	
CC1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1	13669109	MQMJXWNXUSKDMT-UHFFFAOYSA-N	305.378	2.447	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccccc1[N+](=O)[O-]	5002616	DJFAQHIQHBHOBN-UHFFFAOYSA-N	313.225	2.304	5	40	DEBB	
COc1ccc([C@@H](C[N+](=O)[O-])c2c(O)cc(C)oc2=O)cc1	5577461	YWIVZSYBWRUIHR-GFCCVEGCSA-N	305.286	2.071	5	40	DEBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CCCC[C@H]21	83884225	UAFQNLHFXSUQCU-CABCVRRESA-N	319.361	2.420	5	40	DEBB	
CC[C@H](c1nnc2n1CCCCC2)n1nc([N+](=O)[O-])cc1C	72334175	JSKVSCVVCJSQMO-LLVKDONJSA-N	304.354	2.417	5	40	DEBB	
C[C@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCC[C@H]1O	96450964	UMHHLXKCDLOXLF-GDBMZVCRSA-N	321.377	2.335	5	40	DEBB	
CNC(=O)c1cccc(NCc2ccc(C)c([N+](=O)[O-])c2)n1	97102124	PLBUXZPWHXMLDK-UHFFFAOYSA-N	300.318	2.270	5	40	DEBB	
NC(=O)COc1cccc(CNc2ccccc2[N+](=O)[O-])c1	76064206	DCASHWIKRQWXJN-UHFFFAOYSA-N	301.302	2.071	5	40	DEBB	
O=C(NCCCNc1ncccc1[N+](=O)[O-])c1cccc(F)c1	71894520	LBUCZUFXPYJDQK-UHFFFAOYSA-N	318.308	2.361	5	40	DEBB	
COc1cccc(F)c1[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1	76063700	WTDBZSGAXBTXJY-SSDOTTSWSA-N	307.285	2.288	5	40	DEBB	
CC(C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1	70462415	KHESRNRPWRGENP-UHFFFAOYSA-N	308.319	2.429	5	40	DEBB	
C[C@H](NC(=O)CN1CCc2cc([N+](=O)[O-])ccc21)c1ccco1	25612058	OSBXBOAQAVTPKN-NSHDSACASA-N	315.329	2.428	5	40	DEBB	
Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	13671280	NMOBDWJBTDKNAA-UHFFFAOYSA-N	306.343	2.382	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO	101193804	WLVCROZIRFJPAG-TXFQPVFDSA-N	305.334	2.123	5	40	DEBB	
CN(C[C@@H](O)COCc1ccccc1)c1ncccc1[N+](=O)[O-]	78672136	XNDQMRDJIOLIPC-CQSZACIVSA-N	317.345	2.004	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	100178312	KQWIHAFWGICYBX-OJVARPOJSA-N	310.309	2.152	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NCC(=O)NC(=O)NC1CCCC1	3322290	OQQXFUOHKLBLKH-UHFFFAOYSA-N	320.349	2.084	5	40	DEBB	
Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O	97163854	BTFOELHINGWEDH-QMMMGPOBSA-N	319.317	2.266	5	40	DEBB	
CC(C)(C)C(=O)NCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1	89621308	GPOTWZFDNIYCBE-UHFFFAOYSA-N	321.377	2.108	5	40	DEBB	
COc1ccc(-c2noc(Cn3cc([N+](=O)[O-])nc3C)n2)cc1	78774164	HVNIDWKOOUYUJC-UHFFFAOYSA-N	315.289	2.207	5	40	DEBB	
CC[C@](Cl)(C(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96518396	ZCBAPCCYUWBHNC-LLVKDONJSA-N	305.739	2.167	5	40	DEBB	
O=C(O[C@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1Cl	32871653	QQJOLNDIXDPPMX-NSHDSACASA-N	312.709	2.074	5	40	DEBB	
Cc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1	22089241	NODANNWOFJYIGV-UHFFFAOYSA-N	319.346	2.006	5	40	DEBB	
CC(=O)[C@@H]1Cn2c(=O)c3cc4ccccc4cc3c(=O)n2C=C1C	1631679	RKPVVYHSPTWPQF-QGZVFWFLSA-N	320.348	2.396	5	40	DEBB	
C[C@H]1CO[C@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1	45496624	SGJFPISYJOZRCF-WDEREUQCSA-N	310.375	2.323	5	40	DEBB	
CN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	74856149	AGGYIXUTLIXSIN-UHFFFAOYSA-N	312.372	2.477	5	40	DEBB	
CC(C)[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1	72836483	NOOREMLMNQGZPY-AWEZNQCLSA-N	323.418	2.267	5	40	DEBB	
O=[N+]([O-])c1cc(Cl)c(N2CCN(CCO)CC2)c(Cl)c1	95997070	OIOJOVYKGPHARL-UHFFFAOYSA-N	320.176	2.016	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	169683179	KQWIHAFWGICYBX-LACSLYJWSA-N	310.309	2.152	5	40	DEBB	
Cc1nnc2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccn1)=NC2	60190882	TULLJLNDPPOHKC-UHFFFAOYSA-N	320.312	2.230	5	40	DEBB	
Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	3894947	QZNGJZNSQBFFLJ-UHFFFAOYSA-N	302.246	2.338	5	40	DEBB	
CCOc1cccc(N[C@H]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-]	97140724	LOZVSFDOACJJPY-QWRGUYRKSA-N	307.350	2.450	5	40	DEBB	
C[C@H](CO)S[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	72302600	LOLHBIYVUSYDSR-HTQZYQBOSA-N	302.327	2.175	5	40	DEBB	
CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccncc1[N+](=O)[O-]	69813135	SHIZWTVACBHLNC-UHFFFAOYSA-N	322.271	2.343	5	40	DEBB	
CCCCc1nc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)no1	69811212	UQZCLQCCUHKIHV-UHFFFAOYSA-N	318.289	2.277	5	40	DEBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)c1ncnc2c1cnn2C	45025369	SVAQINKAIVEWKS-SNVBAGLBSA-N	312.333	2.469	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2cccs2)c1	76082251	POSWYWGDPOXOEB-STQMWFEESA-N	322.390	2.051	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1cnc2ccccc21	51907	SRRXEBCBKLGWSD-UHFFFAOYSA-N	317.326	2.490	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Oc2cccnc2[N+](=O)[O-])C1	108878748	REATURVWTVFWNF-TUAOUCFPSA-N	307.350	2.262	5	40	DEBB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F	100065466	GQGWKBHKXJCSDL-QQXRRDQMSA-N	302.261	2.045	5	40	DEBB	
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)c1ccccc1	69379343	JQZNVNJTUKZZGQ-LBPRGKRZSA-N	316.361	2.274	5	40	DEBB	
CC(C)(C)[C@@H]1CCCC[C@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1	72605815	ZRKPVRRHROONNE-RRFJBIMHSA-N	324.425	2.347	5	40	DEBB	
O=C(CC1C[C@@H]2CC[C@H](C1)N2)NCc1cccc([N+](=O)[O-])c1	237887628	GQVZONTYCREWLF-AGUYFDCRSA-N	303.362	2.132	5	40	DEBB	
Cc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCCC2)no1	42697840	WSUWSWVSXQHOAP-UHFFFAOYSA-N	306.278	2.079	5	40	DEBB	
C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc([N+](=O)[O-])o1	12586270	QWUVRJJHNUXXTL-AOOOYVTPSA-N	310.306	2.134	5	40	DEBB	
O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	36108811	BIUYKQUSNRMVGH-UHFFFAOYSA-N	318.358	2.014	5	40	DEBB	
Cc1cccc(Nc2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])c1	4821920	XRMFZFRFNMHTJC-UHFFFAOYSA-N	311.301	2.466	5	40	DEBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC=CC[C@H]1C(=O)O	2736394	VEDGJEPLCUKFLD-VHSXEESVSA-N	308.265	2.339	5	40	DEBB	
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1	7059126	JEBBSXRXORAWSA-SNVBAGLBSA-N	307.331	2.029	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](N2CCCC2)C1	71886444	HJOHQUADUDEMQK-CYBMUJFWSA-N	321.352	2.434	5	40	DEBB	
COc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1[N+](=O)[O-]	14257704	FWRZDOAWSZCYEE-UHFFFAOYSA-N	311.363	2.463	5	40	DEBB	
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1ncn(C)c1=S	32923172	WJUNOYFFDPXTOQ-VIFPVBQESA-N	305.363	2.268	5	40	DEBB	
Nc1nc2c3ccccc3nc(-c3cccc([N+](=O)[O-])c3)n2n1	364124	NXEAYUPRNWCIHJ-UHFFFAOYSA-N	306.285	2.435	5	40	DEBB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1	55328261	PBBVVCXTRBPIGO-FRRDWIJNSA-N	308.382	2.368	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN(CCc3ccccc3)CC2)nc1	8745641	MDNFZEZWBCQGTQ-UHFFFAOYSA-N	312.373	2.355	5	40	DEBB	
O=C(O)c1nn(-c2cc(Cl)cc(Cl)c2)nc1[N+](=O)[O-]	89263405	CAWNYXAEYDGFAO-UHFFFAOYSA-N	303.061	2.181	5	40	DEBB	
CC[C@](Cl)([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96520560	DRBTWQSIPJLCPW-WDEREUQCSA-N	307.755	2.018	5	40	DEBB	
Cn1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cn1	96417088	ISSNANIGJZNEKK-UHFFFAOYSA-N	302.334	2.081	5	40	DEBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@H]1C=C[C@@H]2C12CC2	100046894	YLYYKLJYPGBNNM-NUZBWSBOSA-N	310.309	2.296	5	40	DEBB	
Cc1nonc1O[C@@H](C)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	6177692	NQLUZBOCBLVDKL-ZETCQYMHSA-N	323.265	2.074	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccccc1	3383839	KSXGDOUADFZWLI-UHFFFAOYSA-N	314.297	2.068	5	40	DEBB	
O=C(CCn1cc([N+](=O)[O-])cn1)NC12CC3CC(CC(C3)C1)C2	6828495	LROMIYDMLNMBPV-UHFFFAOYSA-N	318.377	2.266	5	40	DEBB	
Cc1ccc(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])n1	9713627	GRQMETJRQHDLGN-GHMZBOCLSA-N	307.350	2.182	5	40	DEBB	
CCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	32400674	MWHVTWXJQAHZOB-UHFFFAOYSA-N	302.352	2.072	5	40	DEBB	
Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-]	102599056	LWQZJAQNSPYGOE-PYJNHQTQSA-N	320.393	2.431	5	40	DEBB	
CCC12CN3CC(C)(CN(C1)C3c1ccccc1[N+](=O)[O-])C2=O	19327485	BBHXXGZZTMJVPI-UHFFFAOYSA-N	315.373	2.210	5	40	DEBB	
CC(C)c1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n1	69328014	CRIQOQAXKPVHDX-UHFFFAOYSA-N	318.337	2.155	5	40	DEBB	
COc1cc([N+](=O)[O-])cc(Br)c1N1CCOCC1	45957715	PZSZHDOPOHHFNN-UHFFFAOYSA-N	317.139	2.203	5	40	DEBB	
CCn1ccnc1[C@H]1OCC[C@@H]1Nc1ncc([N+](=O)[O-])s1	281962410	QVOSZFBJISXKEU-WPRPVWTQSA-N	309.351	2.210	5	40	DEBB	
CC(C)c1nnc(CN2CCc3ccc([N+](=O)[O-])cc32)n1C	97111435	CWGDWIXCUKISTQ-UHFFFAOYSA-N	301.350	2.409	5	40	DEBB	
O=[N+]([O-])c1c(NC[C@@H](O)c2ccccc2)nc2sccn12	8317880	SXYOAXOWMWBLID-SNVBAGLBSA-N	304.331	2.450	5	40	DEBB	
Cc1ccc(CCNC(=O)NCc2ccccc2[N+](=O)[O-])cn1	89652225	NNIWDAVRNZRDFP-UHFFFAOYSA-N	314.345	2.340	5	40	DEBB	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F	39765578	YWJNRRYZKPGKAV-UHFFFAOYSA-N	302.168	2.146	5	40	DEBB	
CO[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1	56471913	VSEUDWHTUOZQFJ-HNNXBMFYSA-N	315.329	2.295	5	40	DEBB	
C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1	12636692	HEGFPPDKAWFNRO-SNVBAGLBSA-N	305.334	2.030	5	40	DEBB	
C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccco1	14227383	YQMDXTLEKOLAGP-MRVPVSSYSA-N	304.258	2.408	5	40	DEBB	
Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](CO)C2)cc1[N+](=O)[O-]	84190170	OFCOQYRGFHYMDX-STQMWFEESA-N	321.377	2.378	5	40	DEBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2	102599070	QKRPPPVEODGOAI-DOERSZECSA-N	320.393	2.431	5	40	DEBB	
COc1cc(NC(=O)CNC2CCCC2)c(C)cc1[N+](=O)[O-]	8344369	GGLGEWPNYDAFOZ-UHFFFAOYSA-N	307.350	2.383	5	40	DEBB	
Cc1ccc(OCC(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])n1	12652039	CAJXFTVZTOQSMR-UHFFFAOYSA-N	315.329	2.336	5	40	DEBB	
CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)O	3369647	DFUDJVVPRYUIAC-JTQLQIEISA-N	300.698	2.087	5	40	DEBB	in-vitro
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1ncn[nH]1	80590123	ZFSUKNROSQHTJX-UHFFFAOYSA-N	301.228	2.386	5	40	DEBB	
CC1=C(C(=O)O)[C@@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1	34465161	UQNCXRKGVABEMP-GFCCVEGCSA-N	319.273	2.148	5	40	DEBB	
CC(=O)c1cc([N+](=O)[O-])ccc1NCCCO[C@H]1CCOC1	225822189	PBUSKPAUJDUVSM-ZDUSSCGKSA-N	308.334	2.405	5	40	DEBB	
CN(Cc1cnccn1)c1ncc(Br)cc1[N+](=O)[O-]	95966494	YZVKQXQHMYNOMY-UHFFFAOYSA-N	324.138	2.179	5	40	DEBB	
O=C(NC(=S)NNc1ccccc1)c1ccccc1[N+](=O)[O-]	14257590	QLVJTAKNRJCILR-UHFFFAOYSA-N	316.342	2.226	5	40	DEBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@@H](O)C1	78774564	FEOCXUNQZXZHOL-SSDOTTSWSA-N	321.211	2.093	5	40	DEBB	
Nc1nc(N2CCc3[nH]c4ccccc4c3C2)ncc1[N+](=O)[O-]	58194221	UGEUBVPTXRFFKD-UHFFFAOYSA-N	310.317	2.011	5	40	DEBB	
O=[N+]([O-])c1cc2[nH]c(O)nc2c([N+](=O)[O-])c1N1CCCCC1	5003492	HOARALMKXIXNCI-UHFFFAOYSA-N	307.266	2.075	5	40	DEBB	
C[C@@H](NC(=O)CN1CCc2ccc([N+](=O)[O-])cc21)c1ccco1	97374176	GBNHOQUJKQIZTJ-LLVKDONJSA-N	315.329	2.428	5	40	DEBB	
CN(Cc1ccccc1)C(=O)COc1cccnc1[N+](=O)[O-]	12533509	JYWBFEADJRIWEP-UHFFFAOYSA-N	301.302	2.027	5	40	DEBB	
COc1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	10327726	SKEWVHVDCXYUQB-UHFFFAOYSA-N	315.285	2.181	5	40	DEBB	
CN(C)C(=O)Oc1ccc([N+](C)(C)C)cc1OC(=O)N(C)C	1718625	RLVNTKUTIIYXAS-UHFFFAOYSA-N	310.374	2.004	5	40	DEBB	
Cn1ccnc1SCCNC(=O)Nc1cccc([N+](=O)[O-])c1	58296620	CAYJJCWFLSHRCR-UHFFFAOYSA-N	321.362	2.242	5	40	DEBB	
O=c1[nH]nc2c3cc([N+](=O)[O-])c(Cl)cc3n3c(c1-2)CCC3	100032767	RXJBWMLFVLYHSU-UHFFFAOYSA-N	304.693	2.337	5	40	DEBB	
CC(=O)c1ccc(N2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1	60362978	KGIKTQIBQVOPSQ-ZDUSSCGKSA-N	320.345	2.387	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(F)c(C(N)=O)c1	65621702	YIFWEZMOBZAEHU-UHFFFAOYSA-N	317.276	2.394	5	40	DEBB	
CCc1ccc([C@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)o1	71910625	JPGLUCPAXWSUKA-SNVBAGLBSA-N	303.322	2.464	5	40	DEBB	
O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1cccs1	8941225	BSWFMHJIDRANFJ-CQSZACIVSA-N	318.310	2.069	5	40	DEBB	
C[C@@H](C[S@@](C)=O)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	135758666	ADYOCNATSUHJKW-FHZGZLOMSA-N	318.782	2.087	5	40	DEBB	
CCOc1ccc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1	4248346	UOFNITYEMNBIPA-UHFFFAOYSA-N	318.285	2.209	5	40	DEBB	
O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1	2756642	XPZYHRSDEFWWSL-UHFFFAOYSA-N	302.242	2.251	5	40	DEBB	
O=C1N[C@@H](c2ccccc2[N+](=O)[O-])c2c(-c3ccco3)n[nH]c21	20855220	ICYXPTXPVMTFCJ-LBPRGKRZSA-N	310.269	2.411	5	40	DEBB	
CCN(CCC(=O)OC)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	65565948	VTJZUTCRJZWZKR-UHFFFAOYSA-N	314.725	2.273	5	40	DEBB	
COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1Cl	65713484	CGAFEBYORPBUDA-UHFFFAOYSA-N	324.724	2.400	5	40	DEBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CCc1ccccc1	72332101	AEQYYYJNEDYWLK-LBPRGKRZSA-N	316.361	2.237	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1C(=O)OCCn1nc(C)cc1C	42777035	QITMOLKQZGNKOH-UHFFFAOYSA-N	319.317	2.274	5	40	DEBB	
C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	95969383	MRVXSYYPFRAPTO-QWRGUYRKSA-N	300.380	2.069	5	40	DEBB	
C[C@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1	12823058	WOUKGDOMONFDLZ-RYUDHWBXSA-N	308.382	2.290	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc(O)c2ccccc2n1	4369200	KGHJIZDKUQNOME-UHFFFAOYSA-N	310.269	2.496	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(CO)CCCCC1	95966756	YCYZNYDZHDNUCY-UHFFFAOYSA-N	306.362	2.196	5	40	DEBB	
Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1N	2243788	INYRDTIIWZKRFW-UHFFFAOYSA-N	319.268	2.379	5	40	DEBB	
Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3C)c1[N+](=O)[O-]	24992770	KLQBMISJQNPTNT-CYBMUJFWSA-N	314.345	2.444	5	40	DEBB	
COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)ccn1	97102707	NHZJUFURXWXDAW-UHFFFAOYSA-N	314.257	2.421	5	40	DEBB	
C[C@H]1CCCC[C@@H]1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	95481807	BMJXEDUTWJFNRT-CABZTGNLSA-N	323.374	2.212	5	40	DEBB	
Cc1cc(NC[C@H]2CCS(=O)(=O)C2)c(Cl)cc1[N+](=O)[O-]	80552605	HEXARPOEQRYUOU-SECBINFHSA-N	318.782	2.403	5	40	DEBB	
COc1cc(N2CCC[C@@H](CCC(N)=O)C2)ccc1[N+](=O)[O-]	83923729	CXQQKZMLUOCHMD-NSHDSACASA-N	307.350	2.085	5	40	DEBB	
Cc1ccsc1CN[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	85324902	SMZOQDVOXGNVTI-ZFWWWQNUSA-N	322.386	2.149	5	40	DEBB	
C[C@](O)(CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccsc1	96450382	TYCYBGBLAGXRKN-AWEZNQCLSA-N	324.333	2.433	5	40	DEBB	
Cc1noc(C)c1CN(C)C(=O)c1ccc(O)c([N+](=O)[O-])c1	96004290	YDEGZIFCUPPHTR-UHFFFAOYSA-N	305.290	2.177	5	40	DEBB	
O=C(Cc1cccc(F)c1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	24151377	QHTCFXQFEYUHEA-HNNXBMFYSA-N	318.304	2.126	5	40	DEBB	
CCc1nnsc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-]	32816878	HZFDQCYJZIHNDP-UHFFFAOYSA-N	306.347	2.281	5	40	DEBB	
CN(Cc1ccccc1[N+](=O)[O-])Cn1ncc2ccccc2c1=O	40083027	XUHKCTFGMIAFGF-UHFFFAOYSA-N	324.340	2.394	5	40	DEBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C(=O)NC(C)(C)C1=O	69617868	AJWPLMWZCVCTQQ-UHFFFAOYSA-N	321.333	2.212	5	40	DEBB	
CS[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C	89314152	VKKQEKNUJYYBPO-MNOVXSKESA-N	316.814	2.125	5	40	DEBB	
O=[N+]([O-])c1cccnc1NCc1nnc(C2CC2)n1C1CC1	95941769	ZLLWYXFSTGHCNN-UHFFFAOYSA-N	300.322	2.406	5	40	DEBB	
O=[N+]([O-])c1cnc(N[C@H](CO)Cc2ccc(O)cc2)c(Cl)c1	97235008	OEXFRFHLRSBPQV-JTQLQIEISA-N	323.736	2.364	5	40	DEBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(I)cc1F	1706146	JSQGTCFSWCYXOW-UHFFFAOYSA-N	311.994	2.247	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)c2ccccc2S1(=O)=O	6478193	KGNGYUHBISZFNH-UHFFFAOYSA-N	318.310	2.252	5	40	DEBB	
NC(=O)c1cc([N+](=O)[O-])cn(Cc2cccc3ccccc23)c1=O	27053317	FKNOTBAGCIZCDX-UHFFFAOYSA-N	323.308	2.057	5	40	DEBB	
Cc1ncsc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1	46766328	FLOWIWIDNIBDSM-UHFFFAOYSA-N	306.347	2.202	5	40	DEBB	
C[C@H]1C[C@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1	46839132	YNSREOGESUZDSN-GZMMTYOYSA-N	303.274	2.344	5	40	DEBB	
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CCC(C)C)CC1	48793188	WOOZJIAXZPXABV-UHFFFAOYSA-N	320.393	2.102	5	40	DEBB	
C[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C	96001995	TVXITAAWKGWQBE-VXGBXAGGSA-N	312.391	2.197	5	40	DEBB	
CC(C)NC(=O)[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	3850921	GOECIAGAOXOGET-MRXNPFEDSA-N	321.377	2.264	5	40	DEBB	biogenic
CC(=O)N1CC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1	573724984	XVAWJVOGQBGIDB-GFCCVEGCSA-N	314.345	2.423	5	40	DEBB	
Cc1oc(C)c(C(=O)OCCn2c([N+](=O)[O-])cnc2C)c1C	56219507	XHIXMJBUCPJNAR-UHFFFAOYSA-N	307.306	2.475	5	40	DEBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccs1	32778070	ALTSKPYBILOSIP-UHFFFAOYSA-N	312.372	2.443	5	40	DEBB	
O=C(O)c1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1	1629951	NKBSXLBFGRVHDX-UHFFFAOYSA-N	307.283	2.126	5	40	DEBB	
O=C1NCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1c1cccs1	72799975	KISYAKCTCQYTLP-GFCCVEGCSA-N	323.399	2.391	5	40	DEBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1	408571042	MZRZYBDAHWLRJT-SLBDDTMCSA-N	323.352	2.255	5	40	DEBB	
O=c1c([N+](=O)[O-])c(Sc2ccc(O)cc2)nc2ccccn12	69814495	PYWOJORWYALZEU-UHFFFAOYSA-N	315.310	2.460	5	40	DEBB	
Cc1cc([N+](=O)[O-])cnc1N1CCC(OC2CCOCC2)CC1	96419444	QKFIZHQGJMBGLA-UHFFFAOYSA-N	321.377	2.463	5	40	DEBB	
O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cc([N+](=O)[O-])c[nH]1	585139836	JTBMFBQVBCKKOS-CMPLNLGQSA-N	307.256	2.487	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)noc1C	7053329	XGFHLYANEJRAMG-UHFFFAOYSA-N	311.319	2.309	5	40	DEBB	
O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1ccc(F)cc1	5106500	AFTZNAZJYUZNOI-UHFFFAOYSA-N	318.304	2.472	5	40	DEBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCN(C2CC2)C1	71888994	VYZSBLMRESQRAZ-BTKRWWFXSA-N	315.373	2.209	5	40	DEBB	
Cc1nc(CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1	96452942	XHBBHCMRJYZPMP-UHFFFAOYSA-N	323.740	2.037	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1C2	250924017	RKCRRAFXAUFACM-GMXVVIOVSA-N	310.375	2.370	5	40	DEBB	
O=C(O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	20219071	BKUNPQRMDNFZLI-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
Nc1ccc(C(=O)OCc2cn3ccccc3n2)cc1[N+](=O)[O-]	32722772	OWGGQPVJKBOLKC-UHFFFAOYSA-N	312.285	2.182	5	40	DEBB	
Cc1cccc(-n2c3nc(=O)n(C)c(=O)c-3cc3ccccc32)c1	56248	RCHZWWWPAVMHLQ-UHFFFAOYSA-N	317.348	2.498	5	40	DEBB	
Cc1c(NC(=O)N2CCC3(CC2)OCCO3)cccc1[N+](=O)[O-]	43347224	YIJCUNROHOUWCY-UHFFFAOYSA-N	321.333	2.274	5	40	DEBB	
C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc([N+](=O)[O-])o1	3232477	QWUVRJJHNUXXTL-UWVGGRQHSA-N	310.306	2.134	5	40	DEBB	
CNC(=O)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)c(C)[nH]1	95456165	IMDBOPFHHAWZLW-UHFFFAOYSA-N	303.322	2.065	5	40	DEBB	
CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1	67800814	FBDBOJSDDWQIBC-NSHDSACASA-N	309.322	2.378	5	40	DEBB	
Cc1cc(OCc2cc(=O)n3ccccc3n2)ccc1[N+](=O)[O-]	8746207	PBQCKOQFHSKKJF-UHFFFAOYSA-N	311.297	2.490	5	40	DEBB	
COc1ccc([N+](=O)[O-])c(C(=O)NCCNc2ccccc2)c1	96436723	LBIDVUFUKZJKEV-UHFFFAOYSA-N	315.329	2.445	5	40	DEBB	
C[C@H]1C[C@@H](OC[C@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1	5447219	FDQUJFFWDKRYJR-ARFHVFGLSA-N	300.463	2.056	5	40	DEBB	
O=[N+]([O-])[C@H]1C[C@@H]1c1nc(-c2ccnc(N3CCCCC3)c2)no1	78774525	UXEGOQGPFISVTL-RYUDHWBXSA-N	315.333	2.255	5	40	DEBB	
CCC(=O)/N=c1\sc2cc([N+](=O)[O-])ccc2n1CCOC	100872705	FIFTWEVKOCDCFO-YPKPFQOOSA-N	309.347	2.095	5	40	DEBB	
NC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3151232	PWWQQKYPCXEGPJ-UHFFFAOYSA-N	303.230	2.394	5	40	DEBB	
CCc1nc(C(=O)N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)c[nH]1	79014296	PPTFSIANNKMVAH-UHFFFAOYSA-N	318.333	2.161	5	40	DEBB	
COC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	35100032	PVTPRFFRFQIQQH-SNVBAGLBSA-N	312.709	2.026	5	40	DEBB	
O=C(O)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O	4481971	HBGXOOXDSPGNAH-UHFFFAOYSA-N	302.242	2.251	5	40	DEBB	
O=[N+]([O-])c1ccc(N2N=N[C@@H]3CCC[C@@]32N2CCOCC2)cc1	20414176	ODAVCVHDXPHEQW-CABCVRRESA-N	317.349	2.363	5	40	DEBB	
CCc1ccc([C@H](COC)NC(=O)c2ccc([N+](=O)[O-])o2)o1	76022152	CATFVBCXBIRGPT-JTQLQIEISA-N	308.290	2.461	5	40	DEBB	
COC(=O)CCc1cc([N+](=O)[O-])cc(OC)c1OC(F)F	78406346	OBBPXGIVSYFLIT-UHFFFAOYSA-N	305.233	2.310	5	40	DEBB	
Cc1cc(NC(=O)NCC[C@H](C)[S@](C)=O)ccc1[N+](=O)[O-]	97096003	DNJMFDAHWMYZOE-CHNSCGDPSA-N	313.379	2.182	5	40	DEBB	
CC(=O)c1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-]	5971095	NEKYTJKCOPGSNC-UHFFFAOYSA-N	315.285	2.210	5	40	DEBB	
CCn1ncc([N+](=O)[O-])c1C(=O)N1CCc2ccccc2C1	800681	GQJXSTMMFQSOOM-UHFFFAOYSA-N	300.318	2.010	5	40	DEBB	
Cc1nsc(N2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)n1	78557911	YRVNEEDETLHPMT-UHFFFAOYSA-N	319.390	2.471	5	40	DEBB	
O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	990530	CARARMWAMTUKGH-PSJXJDHFSA-N	304.302	2.280	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1[N+](=O)[O-]	8986180	SJTBGSIQQYYYTP-VIFPVBQESA-N	320.324	2.425	5	40	DEBB	
C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[S@@](C)=O	97162544	JQLVUAKLERGENA-FHZGZLOMSA-N	318.782	2.135	5	40	DEBB	
O=C(NC1=NCCS1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	126786686	RZWJHXFAUBXIRR-UHFFFAOYSA-N	319.264	2.446	5	40	DEBB	
COc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	216048390	XXIDXNFMCFYQLQ-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
O=C(NCC1CC1)[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1	57139138	HWZRBPOBPVDVGS-LBPRGKRZSA-N	321.352	2.477	5	40	DEBB	
O=C(O)c1ccc(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	5005225	KEAKQYXYTBRBBT-UHFFFAOYSA-N	304.218	2.340	5	40	DEBB	
COc1ncccc1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	40498488	AVHFPGNNPLLBOO-BQYQJAHWSA-N	313.313	2.328	5	40	DEBB	
O=C(OCCN1CCCCC1)c1noc2cc([N+](=O)[O-])ccc12	1670690	QKIRKVIHSHBSKD-UHFFFAOYSA-N	319.317	2.379	5	40	DEBB	
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21	8390856	KGKWXSVIXGYTGI-UHFFFAOYSA-N	310.313	2.412	5	40	DEBB	
C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CCOC1	96486824	NZFWIXOASGZGMU-HTQZYQBOSA-N	300.261	2.028	5	40	DEBB	
CCN1C[C@H](c2nc(-c3cc([N+](=O)[O-])ccc3C)no2)CC1=O	273699574	JQJDYACPHWWRBO-SNVBAGLBSA-N	316.317	2.289	5	40	DEBB	
Cc1noc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(C)C)n1	71899708	USNFVAAEWYTSRZ-GFCCVEGCSA-N	320.305	2.119	5	40	DEBB	
C[C@H](NC(=O)COc1cccnc1[N+](=O)[O-])c1ccc(F)cc1	12635912	WXBHPXGNUVGZHP-JTQLQIEISA-N	319.292	2.385	5	40	DEBB	
O=C(CNCc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1	65668100	ROUMVVHMKSXVMI-UHFFFAOYSA-N	303.293	2.462	5	40	DEBB	
O=C(NCC1(c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1O	97052741	MEJHOCFYMNBCCI-UHFFFAOYSA-N	313.313	2.157	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnc(C)c1	79029282	LHTOOGCTNPHLIY-UHFFFAOYSA-N	323.330	2.108	5	40	DEBB	
Cc1cc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])n(C)n1	95436667	VYWZKAXRUMUQDW-UHFFFAOYSA-N	300.318	2.230	5	40	DEBB	
Cn1c(Sc2ccc([N+](=O)[O-])cn2)nc2sccc2c1=O	23608860	ZFBAONXQKFCSJW-UHFFFAOYSA-N	320.355	2.449	5	40	DEBB	
CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1	9317849	FUXRAXYJKMBDLR-ZDUSSCGKSA-N	303.318	2.221	5	40	DEBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	102599063	QKRPPPVEODGOAI-SAXRGWBVSA-N	320.393	2.431	5	40	DEBB	
NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	6935785	ZPYIYKWRURCMRF-UHFFFAOYSA-N	303.230	2.394	5	40	DEBB	
CNC(=O)c1ccc(NCc2csc(NC)n2)c([N+](=O)[O-])c1	76061241	SJHXWBNHSRKLBI-UHFFFAOYSA-N	321.362	2.065	5	40	DEBB	
O=Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1	409412317	IRFSFBIVLCDMRL-UHFFFAOYSA-N	316.269	2.130	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(O)c3)C2)cn1	89601925	WGTOKPWPYRIARL-AWEZNQCLSA-N	301.302	2.273	5	40	DEBB	
Cc1[nH]nc(C(=O)NCCc2c[nH]c3ccccc23)c1[N+](=O)[O-]	64334508	YDQIAMONOVQVII-UHFFFAOYSA-N	313.317	2.080	5	40	DEBB	
CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2C[C@H](C)OC2=O)c1	32842870	JKZVGXAVZSKYFG-WRWORJQWSA-N	311.315	2.178	5	40	DEBB	
C[C@H](Nc1cccc(F)c1[N+](=O)[O-])C(=O)NCC(F)(F)F	57139684	XJULSIALBOXKGY-LURJTMIESA-N	309.219	2.213	5	40	DEBB	
COCCSCC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1	46169943	LVONODQIOLYIJH-NSHDSACASA-N	312.391	2.494	5	40	DEBB	
C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	6999840	GCTYVFNVNFWXQG-LLVKDONJSA-N	321.358	2.162	5	40	DEBB	
CN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	7216729	ZYVRGOPKUWEOFV-UHFFFAOYSA-N	312.372	2.477	5	40	DEBB	
O=[N+]([O-])c1ccc(Sc2nc(-c3ccccn3)n[nH]2)nc1	73742174	OKNSWQOMNCHGGL-UHFFFAOYSA-N	300.303	2.321	5	40	DEBB	
CC(C)Cn1ncnc1CN(C#N)c1ccc(F)c([N+](=O)[O-])c1	97233416	DHBXORBXLVKHNT-UHFFFAOYSA-N	318.312	2.469	5	40	DEBB	
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(O)c([N+](=O)[O-])c1	97237023	FIAZKHKCWQHTEP-SSDOTTSWSA-N	305.290	2.396	5	40	DEBB	
C[C@@H]1C[C@H](OC[C@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1	5447216	FDQUJFFWDKRYJR-OAGGEKHMSA-N	300.463	2.056	5	40	DEBB	
Cc1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1[N+](=O)[O-]	7126846	FXZWVLLCBBBOOV-AWEZNQCLSA-N	322.328	2.349	5	40	DEBB	
CCOC(=O)[C@H](C[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1	91302930	IGSPOQYRPVORNS-HZPDHXFCSA-N	320.389	2.355	5	40	DEBB	in-vitro
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1	95447912	SRXSLESFXKIAAJ-JKSUJKDBSA-N	312.325	2.291	5	40	DEBB	
CNC(=O)c1cccc(CCNc2ccc([N+](=O)[O-])cn2)c1	77229315	PFVJACIFHXHYDT-UHFFFAOYSA-N	300.318	2.004	5	40	DEBB	
Cc1cnc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1	79630788	FRUDXVMLJVLDCU-UHFFFAOYSA-N	300.318	2.358	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1nc[nH]n1	96490145	QOCWPXKNGXAGDN-CYBMUJFWSA-N	315.333	2.389	5	40	DEBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccn[nH]2)C1	96402860	VBFFQXJFCSOOHI-GFCCVEGCSA-N	300.318	2.338	5	40	DEBB	
O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3ccccn3)C2)nc1	96443413	BSTMIUYPNMBMNI-AWEZNQCLSA-N	313.361	2.114	5	40	DEBB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-]	169617925	CELZKNVTSCTQFY-GFHYGRAKSA-N	324.336	2.461	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1ccsc1	61975061	RIIUTQORXXLYMG-ZDUSSCGKSA-N	306.343	2.049	5	40	DEBB	
Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)no1	12845570	RNLDHGWSIBOFCB-SECBINFHSA-N	319.273	2.075	5	40	DEBB	
O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(-c3ccco3)n[nH]c21	20855199	WZKYKYKRWDCXSW-LBPRGKRZSA-N	310.269	2.411	5	40	DEBB	
O=C(O)CSC(SCC(=O)O)c1ccc([N+](=O)[O-])cc1	1685028	NVILBUYUXVGODV-UHFFFAOYSA-N	317.344	2.229	5	40	DEBB	
Cc1ncsc1C(=O)NCCNc1ccccc1[N+](=O)[O-]	46567919	KQAFNRPHDXSUQH-UHFFFAOYSA-N	306.347	2.202	5	40	DEBB	
Cc1nn(C)cc1[C@H](C)Nc1nc2ccccn2c1[N+](=O)[O-]	71904218	LEEBLJIDTMXWDV-VIFPVBQESA-N	300.322	2.458	5	40	DEBB	
O=C(Cc1cccs1)N1CCc2ncc([N+](=O)[O-])cc2C1	97046283	OHTONWORNJGRAI-UHFFFAOYSA-N	303.343	2.179	5	40	DEBB	
CN1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1	16916225	SVFRSLHNWSNLRG-UHFFFAOYSA-N	318.358	2.292	5	40	DEBB	
CC(=O)c1c(C)c2cc3c(C)c(C(C)=O)c(=O)[nH]c3cc2[nH]c1=O	13403340	WEDZVCMJTKGWEY-UHFFFAOYSA-N	324.336	2.392	5	40	DEBB	
C[C@H]1CCCC[C@@H]1n1ccc2nc3ccn(N)c(=O)c3cc2c1=O	40398613	MNVVLMDRNYRTLT-ZBEGNZNMSA-N	324.384	2.176	5	40	DEBB	
Cc1c([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nn1C	102596311	FNGDPHYAAHYWBE-QTKMDUPCSA-N	306.366	2.191	5	40	DEBB	
Cc1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)n1	6968589	GSDAYEPRJQZHMO-UHFFFAOYSA-N	315.285	2.094	5	40	DEBB	
O=C(Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCN1C(=O)C1CC1	72274410	HUHZDUSCHSDXGL-GFCCVEGCSA-N	321.308	2.073	5	40	DEBB	
CCN1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1	58077981	CUARBDFQFSGBCT-SNVBAGLBSA-N	309.395	2.448	5	40	DEBB	
O=C(NCCNCc1ccccc1[N+](=O)[O-])c1cccs1	13839448	ORBMEHXQSSUGNI-UHFFFAOYSA-N	305.359	2.176	5	40	DEBB	
C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1	17325124	HAZOLCNCGYCMKH-QWRGUYRKSA-N	319.361	2.419	5	40	DEBB	
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1c(F)cccc1NC1CC1	89768179	AVKBNLQXPDVYSM-UHFFFAOYSA-N	319.296	2.143	5	40	DEBB	
Cc1cccc(Cn2c3ccccc3c3nn4nnnc4nc32)c1	35181242	FSHODYFYKNRVLG-UHFFFAOYSA-N	315.340	2.379	5	40	DEBB	
COC(=O)[C@H](Cc1c[nH]cn1)Nc1cc(Cl)ccc1[N+](=O)[O-]	75260509	OYDQVDGQYQHQCZ-NSHDSACASA-N	324.724	2.168	5	40	DEBB	
COc1ccccc1Nc1nc(NN(C)C)nc(C)c1[N+](=O)[O-]	5330503	YORJCESKDFBLRK-UHFFFAOYSA-N	318.337	2.334	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1	40073738	RQPPGJKRVVCARK-UHFFFAOYSA-N	309.285	2.428	5	40	DEBB	
O=C(CSc1ncnc2nc[nH]c12)c1cccc([N+](=O)[O-])c1	36757	KLEVHZCVRNHZSM-UHFFFAOYSA-N	315.314	2.236	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C)C1	4902659	ZXWBUKZBPNOONX-LLVKDONJSA-N	307.350	2.274	5	40	DEBB	
C[C@H](NC(=O)CCCn1cc([N+](=O)[O-])cn1)c1ccccc1	1432131	SJXIOCZFEUCUKL-LBPRGKRZSA-N	302.334	2.449	5	40	DEBB	
O=C(OCCO)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	25401621	ARROHEDDJSZHSC-UHFFFAOYSA-N	316.313	2.356	5	40	DEBB	
Cc1ccc(S(=O)(=O)NCCc2ccccc2)cc1[N+](=O)[O-]	5684558	WVJBPVDTHBTDMX-UHFFFAOYSA-N	320.370	2.424	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCCOc1ccccc1	17850041	SSVIXERJNMKZOH-UHFFFAOYSA-N	300.314	2.333	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(C(=O)NCCn2cnnc2C(C)C)c1	73145664	TWAQHURPZZYKDW-UHFFFAOYSA-N	317.349	2.048	5	40	DEBB	
CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2OC)CC1	216931830	ZIGVXANEOIDQOF-UHFFFAOYSA-N	308.334	2.383	5	40	DEBB	
O=C(NCc1ccno1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	390834139	SRZKYALEUKLPPS-UHFFFAOYSA-N	316.317	2.113	5	40	DEBB	
CSCC[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)O	14589362	VIKNEZQWTWSVSG-MRVPVSSYSA-N	302.377	2.398	5	40	DEBB	
CC(C)(C)OC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O	2556758	RQNZSCNREAXTAC-VIFPVBQESA-N	314.363	2.460	5	40	DEBB	
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC(F)F)c1	96001987	JKKPFTOGTVXQGH-UHFFFAOYSA-N	314.697	2.100	5	40	DEBB	
O=C(NCC[S@@](=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	69708094	RUPIKXXFULNFAE-QFIPXVFZSA-N	318.354	2.132	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	169683178	KQWIHAFWGICYBX-PMXAPFLYSA-N	310.309	2.152	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCOc1ccccc1	3602156	WLHKIYDLUJMQFG-UHFFFAOYSA-N	312.281	2.270	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1CN1CCCC1	84387826	VQQIRHBFTRNUBF-OAHLLOKOSA-N	303.362	2.295	5	40	DEBB	
COc1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1NC(C)=O	24214428	BJUPFQRTNKPVGX-UHFFFAOYSA-N	305.294	2.039	5	40	DEBB	
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2CCC[C@@H]2C1	97371907	MITCFIKAIDGRPS-MGPQQGTHSA-N	306.362	2.066	5	40	DEBB	
C[C@@H](Nc1ncccc1[N+](=O)[O-])c1nnnn1-c1ccccc1	96406563	KJUUMSOXZYSNOG-SNVBAGLBSA-N	311.305	2.139	5	40	DEBB	
COC(=O)c1oc2ccccc2c1Cn1cnc([N+](=O)[O-])c1	32809273	GJUOIVLAWGCFBQ-UHFFFAOYSA-N	301.258	2.372	5	40	DEBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(F)cc1F	12533369	LNBDTVYNVPFJBS-UHFFFAOYSA-N	309.228	2.286	5	40	DEBB	
CCOC(=O)CSc1cc(Cl)c2nonc2c1[N+](=O)[O-]	5477792	ZEWVFMJRRNPZCS-UHFFFAOYSA-N	317.710	2.440	5	40	DEBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)C1CCCCC1	95962364	KNLUNXORMXZAEJ-HNNXBMFYSA-N	306.362	2.195	5	40	DEBB	
COc1cccc(C(=O)N(C)[C@H](C)c2cnn(C)c2)c1[N+](=O)[O-]	194833082	BSDVSGGNXXVKAI-SNVBAGLBSA-N	318.333	2.170	5	40	DEBB	
Cc1noc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)n1	54661643	UANMNOPXIUNYSH-LBPRGKRZSA-N	316.317	2.306	5	40	DEBB	
COc1cc2oc3c(OC)ccc(O)c3c(=O)c2c(O)c1OC	105640348	YHSSNUSRPSUDRS-UHFFFAOYSA-N	318.281	2.383	5	40	DEBB	biogenic
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1	102596354	WEGIZRZHRSLDFI-NOOOWODRSA-N	306.366	2.366	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C)CC1	7447092	PBYLQGVGYWXOKT-UHFFFAOYSA-N	307.350	2.274	5	40	DEBB	
O=C(N[C@@H]1CCCNC1=O)c1cc2ccccc2c2cccnc12	69335958	ZAISOUBJXPFXFP-MRXNPFEDSA-N	319.364	2.396	5	40	DEBB	
Nc1nc(N2CCC[C@H]2COc2ccccc2)ncc1[N+](=O)[O-]	79089793	DQAGDZPGRQWQAN-NSHDSACASA-N	315.333	2.015	5	40	DEBB	
Cc1ccc2c(c1)[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H](C)C2	96500331	XKPLYBHSAKMIHM-IINYFYTJSA-N	314.345	2.300	5	40	DEBB	
O=[N+]([O-])c1ncn(Cc2ccccc2OCC(F)(F)F)n1	96430144	QWENHVZSRWEBRW-UHFFFAOYSA-N	302.212	2.176	5	40	DEBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCOc2ccccc21	24585896	PZQZOVWPZWOVEA-UHFFFAOYSA-N	314.297	2.399	5	40	DEBB	
Cc1ncc(CO)c(CNSc2ccc([N+](=O)[O-])cc2)c1O	6275608	LNMBQHFFXHSRND-UHFFFAOYSA-N	321.358	2.293	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](N2CCCC2)C1	71886443	HJOHQUADUDEMQK-ZDUSSCGKSA-N	321.352	2.434	5	40	DEBB	
Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2N)c(C)o1	97379536	AIEKVEZVENTUJR-UHFFFAOYSA-N	311.319	2.188	5	40	DEBB	
Cc1c([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)nn1C	101988386	FNGDPHYAAHYWBE-GMNPVEAJSA-N	306.366	2.191	5	40	DEBB	
COc1nc(OC)nc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1	376997	AWTJCTICNDPUAD-UHFFFAOYSA-N	312.669	2.243	5	40	DEBB	
C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C1	5119345	KGQIBBKRMTULNN-QWRGUYRKSA-N	320.397	2.050	5	40	DEBB	
O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(CO)c1	95447701	GEZXEKCNFDFLRW-UHFFFAOYSA-N	301.302	2.138	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3ccccc32)c1	44847727	KMUINHNLJITLCG-UHFFFAOYSA-N	318.354	2.487	5	40	DEBB	
O=C(O)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1675827	YQTFKGWWUUYJLQ-UHFFFAOYSA-N	307.283	2.126	5	40	DEBB	
O=C(COC(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1	6243178	ZOQDRJQUBYWMBA-UHFFFAOYSA-N	306.299	2.452	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1OCc1ccc(C(N)=O)cc1	69460732	DXWNUMSLGDOBLY-UHFFFAOYSA-N	302.286	2.281	5	40	DEBB	
Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1	71909102	KBYHGPZFIIIKJC-UHFFFAOYSA-N	321.358	2.085	5	40	DEBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCCn1ccnc1	79050390	UDLAHZUIGDAGCY-BQYQJAHWSA-N	314.345	2.401	5	40	DEBB	
O=[N+]([O-])c1cnc(N[C@H]2CCCOC2)c(Br)c1	81941542	VWZADQSLKLQXFB-ZETCQYMHSA-N	302.128	2.343	5	40	DEBB	
CC(=S)N/C=C\c1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	5855686	JLDMRBOFNYFRPV-IHWYPQMZSA-N	311.275	2.109	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)c1	100481907	RISXEBLJZJBHLM-UTUOFQBUSA-N	310.375	2.309	5	40	DEBB	
CN(C[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cn1	22803513	UFIWCWNXUHLNKT-LBPRGKRZSA-N	301.302	2.266	5	40	DEBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1O)c1ccco1	4321384	QOTGNCWAXOGAAQ-UHFFFAOYSA-N	307.287	2.020	5	40	DEBB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	408619844	HZVCVTUETNCINJ-OSLXHZNNSA-N	324.336	2.148	5	40	DEBB	
O=[N+]([O-])c1cccnc1N1CCc2[nH]nc(C(F)(F)F)c2C1	71922339	YIKNNMQOZGMGBO-UHFFFAOYSA-N	313.239	2.294	5	40	DEBB	
CCc1nnc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C	95985980	YGXXKLYSHUSTOU-LLVKDONJSA-N	303.366	2.445	5	40	DEBB	
Cc1nn(C)c(N(C)Cc2ccc3c(c2)OCO3)c1[N+](=O)[O-]	47331099	OUKDCVVTZAYCPZ-UHFFFAOYSA-N	304.306	2.002	5	40	DEBB	
O=C(NCC1CC1)[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1	57139139	HWZRBPOBPVDVGS-GFCCVEGCSA-N	321.352	2.477	5	40	DEBB	
COc1cccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	7706679	BCZVBLRWOBBHEE-UHFFFAOYSA-N	312.281	2.400	5	40	DEBB	
CCOC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)O)C1	16125196	NHEAJFNQCNBDTF-JTQLQIEISA-N	322.317	2.073	5	40	DEBB	in-vitro
O=C(O)[C@@H]1CCCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1	39004349	DIBPQQBSUIVMNG-LBPRGKRZSA-N	308.290	2.171	5	40	DEBB	
O=[N+]([O-])[C@@H]1C[C@@H]1c1nc(-c2ccnc(N3CCCCC3)c2)no1	78774528	UXEGOQGPFISVTL-NWDGAFQWSA-N	315.333	2.255	5	40	DEBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCC(F)(F)CC1	330032261	KFMUXMBVKBQPCO-UHFFFAOYSA-N	320.317	2.451	5	40	DEBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCOCC1	5395213	WNCPBNHZFMJLTL-UHFFFAOYSA-N	322.364	2.014	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	12170143	OBFZHJUTVODORB-HZSPNIEDSA-N	308.378	2.312	5	40	DEBB	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccccc1	4359578	XTIQMHFSRMXIJU-UHFFFAOYSA-N	303.299	2.156	5	40	DEBB	
Cc1cc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)ccc1[N+](=O)[O-]	47226758	RPCQENURCKNZOD-UKRRQHHQSA-N	303.362	2.260	5	40	DEBB	
O=[N+]([O-])c1cnc(NC[C@H]2CCCNC2)c(Br)c1	93434278	IEWUDKFLEULYHB-QMMMGPOBSA-N	315.171	2.164	5	40	DEBB	
COc1ccccc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	55651097	NYCIIDZOTVJJNP-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH]ccc2=O)c1	68338843	HFMQSZWQCWTRTJ-UHFFFAOYSA-N	305.315	2.257	5	40	DEBB	
O=C(Nc1ccnc2ccnn12)c1cc2cc([N+](=O)[O-])ccc2[nH]1	72290206	KGMBRGJNWWFHCE-UHFFFAOYSA-N	322.284	2.371	5	40	DEBB	
CCS(=O)(=O)[C@](C)(Cl)C(=O)c1ccc([N+](=O)[O-])cc1	96518349	FDAZYODAPANPNE-NSHDSACASA-N	305.739	2.167	5	40	DEBB	
O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1ccccc1[N+](=O)[O-]	101524351	QNQSWEBDKKSBPP-SRVKXCTJSA-N	316.313	2.289	5	40	DEBB	
O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1	240204	MTQXGIZWLFUPTA-TZMCWYRMSA-N	308.359	2.348	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccc(F)cc2)c1	4723575	BZFBDGBDGJCZMI-UHFFFAOYSA-N	324.333	2.255	5	40	DEBB	
O=C(CC1CCOCC1)OCC(=O)c1ccc([N+](=O)[O-])cc1	408721053	JEMSDNFCQBMMPY-UHFFFAOYSA-N	307.302	2.137	5	40	DEBB	
CC(C)Cn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1=O	225963578	UPXQMDLCPNNRSB-UHFFFAOYSA-N	317.301	2.173	5	40	DEBB	
Cc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-]	14528297	NIKDQVHEGDYUAZ-UHFFFAOYSA-N	303.362	2.260	5	40	DEBB	
COc1ccc(OCCOC(=O)c2ccc([N+](=O)[O-])o2)cc1	3502811	WVZSGEPSRWPGPU-UHFFFAOYSA-N	307.258	2.432	5	40	DEBB	
Cc1cc(C(=O)NC[C@@H](C)Cn2ccnc2C)ccc1[N+](=O)[O-]	47937854	DRBAGMROOOLVAU-LLVKDONJSA-N	316.361	2.474	5	40	DEBB	
O=C(O[C@@H]1CCCCNC1=O)c1ccc(Cl)cc1[N+](=O)[O-]	14851947	MQFZUWJNWBAENE-LLVKDONJSA-N	312.709	2.074	5	40	DEBB	
Cc1nonc1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	71911455	VUHSRQHNURUESS-SECBINFHSA-N	322.346	2.083	5	40	DEBB	
O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccnc2)cc1Cl	95945550	OFQFGWUHULTNDC-UHFFFAOYSA-N	313.722	2.444	5	40	DEBB	
Cc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1	137270770	ACDDLYZALJLTQD-UHFFFAOYSA-N	321.358	2.432	5	40	DEBB	
OCCCNC(=S)Nc1cc2cccnc2c2cccnc12	4708340	SJKOIYWIIBFXKM-UHFFFAOYSA-N	312.398	2.452	5	40	DEBB	
CONC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	25821293	QXVJGYTXUHYTAQ-UHFFFAOYSA-N	301.302	2.498	5	40	DEBB	
Cc1nn(C[C@H](C)C(=O)Nc2nccs2)c(C)c1[N+](=O)[O-]	2792144	QOHVVRPUMWGCTJ-ZETCQYMHSA-N	309.351	2.139	5	40	DEBB	
Cc1cc(NC[C@@H](O)c2cnn(C)c2)c(Cl)cc1[N+](=O)[O-]	80649747	PRQXVXXRILIIPC-CYBMUJFWSA-N	310.741	2.436	5	40	DEBB	
Cc1nc([N+](=O)[O-])c(N(C)Cc2nc3ccccc3n2C)n1C	71920533	LGVPJAJTYXMFBN-UHFFFAOYSA-N	314.349	2.160	5	40	DEBB	
C[C@H]1CCC[C@@H](C)N1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	16608932	VDTTVMJMGFSKMF-PHIMTYICSA-N	313.379	2.051	5	40	DEBB	
Cc1n[nH]c(SCC(=O)N(C)c2ccccc2)c1[N+](=O)[O-]	6621854	UCWXGDBITHJWDO-UHFFFAOYSA-N	306.347	2.381	5	40	DEBB	
CC1(C)CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	96009737	NCMSBTUOBNIVOX-UHFFFAOYSA-N	312.391	2.100	5	40	DEBB	
Cc1ccc(N)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	36296510	RDTSWNSYCYZSEJ-UHFFFAOYSA-N	307.331	2.286	5	40	DEBB	
C[C@H]1CN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)C[C@H](C)O1	5533327	LFPRDNLQZKKGOD-QWRGUYRKSA-N	317.345	2.060	5	40	DEBB	
CC(=O)c1ccc(N(C)CCc2cnccn2)c([N+](=O)[O-])c1	95457997	IWEXPFJKUROSAZ-UHFFFAOYSA-N	300.318	2.266	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccsc2)c1	110635409	AVZYDHOLDVPDTN-ZIAGYGMSSA-N	322.390	2.051	5	40	DEBB	
C[C@H](NC(=O)N(C)C[C@@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1	78757791	REFQDNMXDGDGLV-QWHCGFSZSA-N	320.393	2.249	5	40	DEBB	
Cc1cc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c(=O)[nH]1	4248362	AOTMAXBLXXVFAP-UHFFFAOYSA-N	308.677	2.464	5	40	DEBB	
C[N+]1(CCC[N+]2(C)C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)CCOCC1	100132921	JMKKOXFXRSJPNL-MCXOOUIESA-N	306.494	2.142	5	40	DEBB	in-vitro
O=[N+]([O-])c1ccc([C@H]2SC=C3Sc4nncn4N32)cc1	12322031	FIQFUMWXVXPQKA-SNVBAGLBSA-N	305.344	2.475	5	40	DEBB	
CCc1ncc(C(=O)NCCNc2ccccc2[N+](=O)[O-])s1	65050932	ZRBRQIIJQQVIKO-UHFFFAOYSA-N	320.374	2.456	5	40	DEBB	
CN(CCn1cccn1)Cc1nc2cc([N+](=O)[O-])ccc2o1	83171627	RORARMYYDNWATC-UHFFFAOYSA-N	301.306	2.065	5	40	DEBB	
Cc1cccc(C)c1OC[C@@H](O)Cn1nc(C)c([N+](=O)[O-])c1C	71795526	FVKPDTVIRDAISP-AWEZNQCLSA-N	319.361	2.465	5	40	DEBB	
O=[N+]([O-])c1cccnc1N[C@@H](CO)Cc1c[nH]c2ccccc12	96424077	YHBTUAZOYRUNDS-GFCCVEGCSA-N	312.329	2.487	5	40	DEBB	
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]	10327307	WWLSCHPYYSGPPH-UHFFFAOYSA-N	303.249	2.311	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1CN1CCCC1	84387828	VQQIRHBFTRNUBF-HNNXBMFYSA-N	303.362	2.295	5	40	DEBB	
Cc1cc(C(=O)NCc2nnc(C(C)C)n2C)cc([N+](=O)[O-])c1	97375958	UZFVRCLIQSTMKT-UHFFFAOYSA-N	317.349	2.085	5	40	DEBB	
O=C(Nc1ccc(O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1	2756641	AJWPSVZUXKTAGB-UHFFFAOYSA-N	302.242	2.251	5	40	DEBB	
Nc1nc(N2CC=C(c3ccc(F)cc3)CC2)ncc1[N+](=O)[O-]	65412796	KVKUWGCFMJPNCT-UHFFFAOYSA-N	315.308	2.400	5	40	DEBB	
CCCCN1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1=O	8269855	XYBMEMXWGDTQBW-LBPRGKRZSA-N	319.361	2.490	5	40	DEBB	
Cc1[nH]nc(C(=O)NC2(c3ccccc3F)CC2)c1[N+](=O)[O-]	96412741	DSBUFEHSCSZLFB-UHFFFAOYSA-N	304.281	2.185	5	40	DEBB	
CC(=O)N(C)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	58163438	GEXDRSHXXONIRW-UHFFFAOYSA-N	320.349	2.069	5	40	DEBB	
O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3CCCCO3)C2)nc1	78950148	ZBWKJWYVYWUYMR-JSGCOSHPSA-N	306.366	2.045	5	40	DEBB	
O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])cc1	58218798	ZEJRLAKMNWXASA-UHFFFAOYSA-N	323.312	2.106	5	40	DEBB	
O=[N+]([O-])c1cn(C[C@@H](O)c2ccccc2Br)cn1	95433512	ULOQGPWYCJLGDS-SNVBAGLBSA-N	312.123	2.287	5	40	DEBB	
O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	2666169	IWMPEWWFNQMCOV-UHFFFAOYSA-N	301.258	2.433	5	40	DEBB	
O=[N+]([O-])c1cccc(CNCCc2nnc3n2CCCCC3)c1	67698250	AJDGXZPYFKKIBC-UHFFFAOYSA-N	315.377	2.245	5	40	DEBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1	9689950	NUKKBJVUTJQLEQ-AWEZNQCLSA-N	322.267	2.336	5	40	DEBB	
C[C@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1	76092283	XTSHAFMSXQYLRN-HNNXBMFYSA-N	320.370	2.223	5	40	DEBB	
CC(C)C(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1	24933033	GMMMZCATJAZZOC-UHFFFAOYSA-N	319.361	2.428	5	40	DEBB	
CN(C)C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	69529624	HVOPPPVRWWSDMX-OAHLLOKOSA-N	305.378	2.080	5	40	DEBB	
O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2C=CCCC2)cc1	96500089	RMJRDSOTEMBISR-ZDUSSCGKSA-N	310.375	2.165	5	40	DEBB	
CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1	3271026	DXQPSXZLLXXFLV-UHFFFAOYSA-N	304.258	2.008	5	40	DEBB	
Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(O)c1	8185199	CZTNXDLRWQOFFZ-UHFFFAOYSA-N	308.315	2.410	5	40	DEBB	
O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC2(CCC2)C1	95980857	AXARKGHKVIFDIG-UHFFFAOYSA-N	324.402	2.343	5	40	DEBB	
O=C(Nc1nc2ccccc2[nH]c1=O)c1cccc([N+](=O)[O-])c1	12360085	VDTACXDYAXFDHR-UHFFFAOYSA-N	310.269	2.084	5	40	DEBB	
CCn1c(C)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	13989769	UWESIYJHXXJKGF-UHFFFAOYSA-N	321.362	2.245	5	40	DEBB	
C[N+](C)(C)CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1	1899888	DWQGGBPHBPPMCI-SFHVURJKSA-N	306.426	2.314	5	40	DEBB	
O=[N+]([O-])c1cn(S(=O)(=O)c2ccc3ccccc3c2)cn1	13640597	CSAGUCRUMIZFNT-UHFFFAOYSA-N	303.299	2.182	5	40	DEBB	
CCc1ncc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1	83830597	LNAGXCJOIAVDLT-LLVKDONJSA-N	321.358	2.077	5	40	DEBB	
Cc1c(CC(=O)N(C)[C@H](CO)C(C)(C)C)cccc1[N+](=O)[O-]	195561514	UMBBGRRJYBSKAY-CQSZACIVSA-N	308.378	2.311	5	40	DEBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN(C2CC2)C1=O	96486775	WDKFJUNTKRYFAC-AWEZNQCLSA-N	323.780	2.443	5	40	DEBB	
CC[C@H](NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1nc(C(F)(F)F)cs1	247993113	LKZQBYGLLLYJQF-LYFYHCNISA-N	323.296	2.394	5	40	DEBB	
Nc1nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	13142294	MWGDRMANQAPVLT-UHFFFAOYSA-N	305.241	2.465	5	40	DEBB	
Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)sc1C	95410659	SWRMUGSFTHQAJP-UHFFFAOYSA-N	319.390	2.390	5	40	DEBB	
O=c1cc(COc2cccc([N+](=O)[O-])c2)nc2sccn12	6060966	QUXTVYBWFYJVRG-UHFFFAOYSA-N	303.299	2.243	5	40	DEBB	
Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)NC(C)(C)C	26121682	VVRCCADNTOGXEE-JTQLQIEISA-N	308.334	2.363	5	40	DEBB	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	44347987	LRZRPHCGXWLJKS-KKZNHRDASA-N	305.359	2.481	5	40	DEBB	
CN1C[C@@H]2CC[C@@H](C1)C2(C)OC(=O)c1ccc([N+](=O)[O-])cc1	100380557	YGSQJANEQMYLLP-STQMWFEESA-N	304.346	2.482	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-]	13164341	PEGNMKPLIJQDQB-GIPNMCIBSA-N	308.382	2.349	5	40	DEBB	
C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1CC1	5044198	KDAATMGIIOSCBF-SSDOTTSWSA-N	312.709	2.072	5	40	DEBB	
COc1cc(CCNC(=O)CC(C)C)c([N+](=O)[O-])cc1OC	8771498	ZONITHGBWAHZPP-UHFFFAOYSA-N	310.350	2.317	5	40	DEBB	
Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCc1cccc(F)c1	97375970	POTRZBLXBAXTAF-UHFFFAOYSA-N	318.308	2.074	5	40	DEBB	
COc1ccc(-c2ccc(C(=O)NC(C)=O)o2)c([N+](=O)[O-])c1	85346814	QMCGCLLLMBIPBO-UHFFFAOYSA-N	304.258	2.140	5	40	DEBB	
COc1cc(Cc2nc3ccccc3c(=O)[nH]2)ccc1[N+](=O)[O-]	83022882	ICNYPGCYARHXPI-UHFFFAOYSA-N	311.297	2.431	5	40	DEBB	
O=C(Nc1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])cc1	4264575	GSGNLNSMHPSWCB-UHFFFAOYSA-N	300.230	2.490	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1O	408599976	QAULCWKQBNJEHD-UHFFFAOYSA-N	316.269	2.096	5	40	DEBB	
CN(C)c1ccc([N+](=O)[O-])c(OCc2ccc(C(N)=O)cc2)c1	75093140	OXIMCBCYWFYFOK-UHFFFAOYSA-N	315.329	2.339	5	40	DEBB	
O=[N+]([O-])c1c(NCCNc2ncccn2)ccc2ncccc12	71899463	FFMUAXJRYAUCBQ-UHFFFAOYSA-N	310.317	2.457	5	40	DEBB	
Cc1ccnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1	13881182	YYRKLVVGURQJNM-UHFFFAOYSA-N	304.331	2.424	5	40	DEBB	
COc1ccc(S(=O)(=O)NC2CCCCC2)cc1[N+](=O)[O-]	16089080	FTTAVYQOBBJHIJ-UHFFFAOYSA-N	314.363	2.214	5	40	DEBB	
CN(C)c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Cl	95978346	IXHDREKXWIQHQK-UHFFFAOYSA-N	309.713	2.290	5	40	DEBB	
CCSC1(CNc2c([N+](=O)[O-])c(C)nn2C)CCOCC1	96420993	HOMWWAAHRXAJAG-UHFFFAOYSA-N	314.411	2.351	5	40	DEBB	
Cc1ccc(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)cc1	41105645	VSGQIMHWNHRKJK-UHFFFAOYSA-N	317.326	2.490	5	40	DEBB	
CC[N+]1(C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CCOCC1	3171262	LDHSDHWSXOQHLI-ULQDDVLXSA-N	314.490	2.446	5	40	DEBB	
Cc1c(Cl)cc(S(=O)(=O)NCC2CC2)cc1[N+](=O)[O-]	24434156	PVEKVDULYCDQBK-UHFFFAOYSA-N	304.755	2.245	5	40	DEBB	
C[N+]12CCC(CC1)[C@@H](OCCCNC(=O)c1ccccc1)C2	2329217	RFCKZYJQEZHYST-CMVHYPBASA-O	303.426	2.062	5	40	DEBB	
Cc1cc(Nc2ccc3c(c2)n(C)c(=O)n3C)ncc1[N+](=O)[O-]	74744921	XLNKVMAASUYRIC-UHFFFAOYSA-N	313.317	2.232	5	40	DEBB	
COC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])s2)CCCCC1	25169425	CWEGDRSXIJAMJK-UHFFFAOYSA-N	312.347	2.262	5	40	DEBB	
O=[N+]([O-])c1ncc(N[C@@H]2C=C[C@H](CO)C2)cc1Br	521398582	ROFKKOQKTZGAEF-JGVFFNPUSA-N	314.139	2.101	5	40	DEBB	
O=[N+]([O-])c1cc(Nc2ccc([N+](=O)[O-])c3nonc23)ccc1O	78546353	VNYWUFLVACJBIG-UHFFFAOYSA-N	317.217	2.488	5	40	DEBB	
Cc1ccc2oc(C(=O)OCC[N+]3(C)CCOCC3)cc2c1	341231	KGELBILMRZROSX-UHFFFAOYSA-N	304.366	2.375	5	40	DEBB	
O=[N+]([O-])c1ccc2c(c1)[C@@H](O)n1nc(-c3ccccc3)nc1N2	9236100	OLWVPSLQXBVHCZ-CQSZACIVSA-N	309.285	2.450	5	40	DEBB	
CCCOc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	5207285	DJOZCTKLZNFKOH-UHFFFAOYSA-N	314.363	2.168	5	40	DEBB	
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CCO)CC1	72270376	UENFXJYNBGRGTN-GFCCVEGCSA-N	321.377	2.016	5	40	DEBB	
Cc1cccnc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	409197930	SEXYGEIQXCLVPH-UHFFFAOYSA-N	315.285	2.094	5	40	DEBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O	221868310	OQSWETMHRSXTCJ-VTPLQMEGSA-N	317.297	2.161	5	40	DEBB	
CN(Cc1ccsc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	27365966	PIGAWSXWDNGCMP-UHFFFAOYSA-N	305.359	2.387	5	40	DEBB	
CC(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1	27633244	KKWXQHJAMBNUKB-OAHLLOKOSA-N	316.361	2.347	5	40	DEBB	
O=C(COc1cccc([N+](=O)[O-])c1)NCCC[C@@H]1CCC[C@H]1O	89780694	UCFLLCYRKYGMFO-SWLSCSKDSA-N	322.361	2.031	5	40	DEBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C2CC2)CC1	24594978	UIQUXILVDHZUOQ-LBPRGKRZSA-N	303.362	2.210	5	40	DEBB	
O=[N+]([O-])c1cc(NS(=O)(=O)N2CCCCC2)ccc1Cl	97593985	LAUFWXOCAKQDHI-UHFFFAOYSA-N	319.770	2.391	5	40	DEBB	
O=c1ccc([N+](=O)[O-])cn1Cc1cc(Cl)c2c(c1)OCCO2	14676016	UQMLFXWJZQQTNG-UHFFFAOYSA-N	322.704	2.229	5	40	DEBB	
O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1nnsc1Cl	69619659	CYFHJRXRHIHTLF-UHFFFAOYSA-N	312.694	2.056	5	40	DEBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(NCC(F)(F)F)c([N+](=O)[O-])c1	408974409	ZMOFILCPEHMWGY-UHFFFAOYSA-N	310.144	2.385	5	40	DEBB	
O=[N+]([O-])c1cc(Br)ccc1O[C@H]1CCCNC1	42775684	UAXRCDGDTWMWDV-VIFPVBQESA-N	301.140	2.488	5	40	DEBB	
CC(=O)N1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1	40526354	FKZDZNCYVZLRJS-UHFFFAOYSA-N	320.349	2.036	5	40	DEBB	
Cc1ccc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)cc1	1748295	CCAKBSJQJAVJQW-UHFFFAOYSA-N	306.343	2.382	5	40	DEBB	in-vitro
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)NCc1cccs1	2788036	CCLHUWJHLUHUMC-SECBINFHSA-N	308.363	2.114	5	40	DEBB	
C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1	65477211	IJDVFHSSFNBPSO-LBPRGKRZSA-N	302.334	2.101	5	40	DEBB	
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1O	193411022	BAGMELGEVRRSMG-UHFFFAOYSA-N	305.315	2.426	5	40	DEBB	
O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccccc1O	9916559	KKCJRCKHGWJMCC-UHFFFAOYSA-N	301.302	2.142	5	40	DEBB	
Nc1nc2c(-c3ccc([N+](=O)[O-])cc3)nnn2c2ccccc12	17125463	POHNBDGGRGBSQB-UHFFFAOYSA-N	306.285	2.435	5	40	DEBB	
COc1ccc2c(=O)n3nc(N4CCCCC4)ccc3nc2c1	5514526	UUJNAXSVJGCYEA-UHFFFAOYSA-N	310.357	2.242	5	40	DEBB	
Cc1cc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-]	77990493	IQQFDOHTDYXYFO-LBPRGKRZSA-N	318.251	2.043	5	40	DEBB	
CCN(C[C@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C	58248489	HDJIHCBKHAMTOO-GFCCVEGCSA-N	321.377	2.159	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(O)c1	89466043	SVXXZERXOBHWCO-UHFFFAOYSA-N	324.314	2.110	5	40	DEBB	
Cc1n[nH]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1	31849986	GGWYUUACEBBKMG-UHFFFAOYSA-N	318.318	2.364	5	40	DEBB	
O=C(NC1CCCCC1)n1c(=O)oc2cc([N+](=O)[O-])ccc21	259933	AGXLKCOJQDVQNY-UHFFFAOYSA-N	305.290	2.393	5	40	DEBB	
C[N+]1(Cc2nc3ccccn3c2Br)CCOCC1	4370316	IULBCLNNHZYPAK-UHFFFAOYSA-N	311.203	2.074	5	40	DEBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCO2	282841	OJNKXWOFJPHTER-UHFFFAOYSA-N	322.298	2.124	5	40	DEBB	
CC1([N+](=O)[O-])COP(=O)(N2CC3CCC(CC3)C2)OC1	4934178	WKLOKZZLHAGVKA-UHFFFAOYSA-N	304.283	2.299	5	40	DEBB	
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1[N+](=O)[O-]	35088104	WTKHRYXWBCDSCM-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
Cc1nncn1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1	95453518	BBODJXBRQOXGGF-UHFFFAOYSA-N	313.273	2.329	5	40	DEBB	
COc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1	15615273	CSBAUCAWVIKLMV-UHFFFAOYSA-N	316.313	2.412	5	40	DEBB	
CSC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1	96412909	CEWJHQKOCFIKSH-SNVBAGLBSA-N	305.363	2.483	5	40	DEBB	
COc1ccc(C(=O)NOCc2ccccc2)cc1[N+](=O)[O-]	10318925	NRYQENPVMOHVCU-UHFFFAOYSA-N	302.286	2.465	5	40	DEBB	
O=C(CSc1ccc([N+](=O)[O-])cn1)NCc1ccccc1	160213459	JMXUABDNYGEUFY-UHFFFAOYSA-N	303.343	2.398	5	40	DEBB	
CN(Cc1cccc(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	27348849	GMVHRUCIDIMYIA-UHFFFAOYSA-N	317.320	2.465	5	40	DEBB	
Cc1ccc(N2CCC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	95973058	UIMVZYCOGFYWJU-CYBMUJFWSA-N	301.350	2.411	5	40	DEBB	
CC(C)NC(=O)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1	9314654	QFUKTFXEQSDVHU-GFCCVEGCSA-N	307.350	2.324	5	40	DEBB	
CCc1ccc([C@@H](COC)NC(=O)c2ccc([N+](=O)[O-])o2)o1	76022150	CATFVBCXBIRGPT-SNVBAGLBSA-N	308.290	2.461	5	40	DEBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1	140073169	FRGXIPBEBCCJDK-MPKXVKKWSA-N	310.375	2.203	5	40	DEBB	
CC[N+]1(C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CCOCC1	5447317	LDHSDHWSXOQHLI-YESZJQIVSA-N	314.490	2.446	5	40	DEBB	
CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	20611765	DLVLLGNYQDWHRY-UHFFFAOYSA-N	307.350	2.416	5	40	DEBB	
COCCNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(C)c2)n1	5066041	JUXKLPLSSGOWKX-UHFFFAOYSA-N	318.337	2.077	5	40	DEBB	
CCc1nnc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])s1	72302796	ZHFZUNBBIHMFQC-UHFFFAOYSA-N	321.362	2.084	5	40	DEBB	
COc1ccc([C@H](C[N+](=O)[O-])n2nc(C)cc2C)c(OC)c1	75172	QHGZJMHRLJQMML-AWEZNQCLSA-N	305.334	2.383	5	40	DEBB	
Cn1ccs/c1=N\C(=O)CSc1ccc([N+](=O)[O-])cc1	5936402	JSJRLXWLJRBVST-SEYXRHQNSA-N	309.372	2.214	5	40	DEBB	
CCOC(=O)[C@H](C[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1	91302932	IGSPOQYRPVORNS-JKSUJKDBSA-N	320.389	2.355	5	40	DEBB	in-vitro
CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1	32932294	TYQMUNVYONILLO-QWHCGFSZSA-N	305.334	2.275	5	40	DEBB	
Cc1c(CC(=O)NC[C@H](C)Cn2cccn2)cccc1[N+](=O)[O-]	161816350	HNXZXSVVYIEDLP-LBPRGKRZSA-N	316.361	2.095	5	40	DEBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2	102599068	QKRPPPVEODGOAI-VZZFWQQMSA-N	320.393	2.431	5	40	DEBB	
O=C(CCNc1ccccc1[N+](=O)[O-])NOCc1cccnc1	84506972	IOPFTSDBQAYXNQ-UHFFFAOYSA-N	316.317	2.040	5	40	DEBB	
Nc1ncnc(O[C@@H]2C=CC=C(C(F)(F)F)C2)c1[N+](=O)[O-]	26802649	PBZRRRXPKSMSOH-SSDOTTSWSA-N	302.212	2.163	5	40	DEBB	
O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1ccc(Cl)nc1	71800174	UGRKQPQRIHWFID-UHFFFAOYSA-N	316.704	2.401	5	40	DEBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1	69872446	OMHZFRSATWMOHF-ZDUSSCGKSA-N	303.362	2.295	5	40	DEBB	
CCc1nncn1CCNc1ccc2ncccc2c1[N+](=O)[O-]	72302144	CRDCIQHFGNNIBH-UHFFFAOYSA-N	312.333	2.409	5	40	DEBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2O)ccc1F	19982818	RTKCCCYHZAAILV-UHFFFAOYSA-N	312.278	2.240	5	40	DEBB	
O=C(C[S@](=O)Cc1cccc([N+](=O)[O-])c1)NC1CCCCC1	32801285	XUQVLRRWPZILIZ-QFIPXVFZSA-N	324.402	2.292	5	40	DEBB	
CC(C)(C)NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	3300607	HYALCBRAXOVLIQ-UHFFFAOYSA-N	314.725	2.320	5	40	DEBB	
Cn1ccc2ccn(CCOc3ccccc3[N+](=O)[O-])c(=O)c21	96007409	GZRVEJGWWJOBBZ-UHFFFAOYSA-N	313.313	2.327	5	40	DEBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccon1	14255523	FHQXATGJXMHQDL-JTQLQIEISA-N	304.306	2.214	5	40	DEBB	
Cc1ccc(CN(C)C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	8986311	JQBSGMBUVQKNIC-UHFFFAOYSA-N	316.361	2.375	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)F)n1N	216903456	IBBXMEBZHIBPGE-UHFFFAOYSA-N	301.278	2.297	5	40	DEBB	
Nc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1[N+](=O)[O-]	30650956	QXCAWJRJFGJAGW-UHFFFAOYSA-N	323.312	2.187	5	40	DEBB	
O=C(NC[C@@H](CO)Cc1ccco1)Nc1cccc([N+](=O)[O-])c1	24928980	YUPPSKZMNLBMMI-NSHDSACASA-N	319.317	2.161	5	40	DEBB	
COCCN(C(C)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)s1	4985192	VFHVVMDDXRYAAS-UHFFFAOYSA-N	322.346	2.113	5	40	DEBB	
O=[N+]([O-])c1ccc(CSc2nc(O)c3c[nH]nc3n2)c(F)c1	84351175	REJIXDRFCCBJPP-UHFFFAOYSA-N	321.293	2.398	5	40	DEBB	
CN(C)c1ccc(COC(=O)c2cscn2)cc1[N+](=O)[O-]	97086504	DVSPDBSVCKWGED-UHFFFAOYSA-N	307.331	2.474	5	40	DEBB	
CN(CCN1CCOC1=O)Cc1ccc([N+](=O)[O-])cc1Cl	97082859	UEFANIFXTKULMT-UHFFFAOYSA-N	313.741	2.132	5	40	DEBB	
CCOc1cccc(N2CC[S@](=O)C(C)(C)C2)c1[N+](=O)[O-]	95941139	FVMWQDWCMQIKEA-OAQYLSRUSA-N	312.391	2.341	5	40	DEBB	
CCOC(=O)c1cn(CC)c2c([N+](=O)[O-])c(C)ccc2c1=O	2362804404	XAUYEQWSBJWHKZ-UHFFFAOYSA-N	304.302	2.415	5	40	DEBB	
O=C(NC1CCCC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	2765902	IORQMGASZOFLTO-UHFFFAOYSA-N	304.306	2.105	5	40	DEBB	
Cn1ccnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	3442726	BOQPGQOWXLQGDA-UHFFFAOYSA-N	310.310	2.198	5	40	DEBB	
O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2	409380055	GLNVQHPUANELSA-RVBZMBCESA-N	304.302	2.211	5	40	DEBB	
Cc1cc(NC[C@H](O)c2cnn(C)c2)c(Cl)cc1[N+](=O)[O-]	80649744	PRQXVXXRILIIPC-ZDUSSCGKSA-N	310.741	2.436	5	40	DEBB	
CNc1nc(CNc2nc3ccccn3c2[N+](=O)[O-])cs1	76061298	HOHMKKHTUODKTR-UHFFFAOYSA-N	304.335	2.353	5	40	DEBB	
O=[N+]([O-])/N=c1/nc2scc(-c3ccc([N+](=O)[O-])cc3)n2s1	5759421	CZFICIFVDDYEPV-XFXZXTDPSA-N	323.315	2.125	5	40	DEBB	
Cc1nonc1OCCNc1ccc([N+](=O)[O-])c2cccnc12	5092191	NJLPKXXTNXVUSV-UHFFFAOYSA-N	315.289	2.325	5	40	DEBB	
C[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1	58278874	DJHQFYXLGKSETA-VIFPVBQESA-N	302.290	2.131	5	40	DEBB	
CCc1nc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)no1	107602650	NTEUEVPECMEBHJ-UHFFFAOYSA-N	310.697	2.124	5	40	DEBB	
Cc1cnc(C)c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1	195563687	KZLIEZFRNMAHDK-UHFFFAOYSA-N	313.361	2.328	5	40	DEBB	
O=C(NCC1CCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	32244251	HVCYLJCFYOESLX-UHFFFAOYSA-N	300.318	2.310	5	40	DEBB	
CCOC(=O)CN(CC1CC1)c1nc2ccccn2c1[N+](=O)[O-]	84793468	DHFIIDSHMYVKAM-UHFFFAOYSA-N	318.333	2.022	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1	2058780	CJUIAMINMTXQKM-UHFFFAOYSA-N	320.213	2.136	5	40	DEBB	
Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	101614612	LWQZJAQNSPYGOE-ASEORRQLSA-N	320.393	2.431	5	40	DEBB	
Cc1[nH]nc(C(=O)Nc2ccc3c(c2)CCCN3C)c1[N+](=O)[O-]	68610146	ZLUIIYXFFOCMGO-UHFFFAOYSA-N	315.333	2.261	5	40	DEBB	
Cc1ccnc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1	5590264	RACXRZKMMMRYDC-UHFFFAOYSA-N	316.342	2.425	5	40	DEBB	
C[C@H]1CC(=O)NN=C1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4178778	SDLLKVRCYZEZMS-NSHDSACASA-N	316.361	2.445	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCOc1ccc(F)cc1	23142426	HOHIVWDUMRKDJY-UHFFFAOYSA-N	318.304	2.472	5	40	DEBB	
CS[C@H]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	72794242	WGRLHAQCJIAQFE-STQMWFEESA-N	323.418	2.410	5	40	DEBB	
C[C@@H](O)C[C@H]1COCCN1c1ccc(Cl)cc1[N+](=O)[O-]	225561003	ALCMMEHTCREVTR-KOLCDFICSA-N	300.742	2.224	5	40	DEBB	
Cc1cc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-]	77990491	IQQFDOHTDYXYFO-GFCCVEGCSA-N	318.251	2.043	5	40	DEBB	
Cc1[nH]nc(C(=O)N(Cc2ccccc2)C2CC2)c1[N+](=O)[O-]	65613489	CVGYZJAXTNPDES-UHFFFAOYSA-N	300.318	2.431	5	40	DEBB	
CC(C)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1	69702428	OPTHNRGUWUODJT-LBPRGKRZSA-N	323.368	2.471	5	40	DEBB	
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cnn(CC)c1	72291938	GIQBJGDKKUMCNT-GFCCVEGCSA-N	318.333	2.398	5	40	DEBB	
O=C(Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)C1CC1	72274409	HUHZDUSCHSDXGL-LBPRGKRZSA-N	321.308	2.073	5	40	DEBB	
CC(C)(C)COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	78442753	TUCMQSMIATYRMQ-UHFFFAOYSA-N	315.347	2.201	5	40	DEBB	
Nc1nc(N2CCC[C@@H]2COc2ccccc2)ncc1[N+](=O)[O-]	79089796	DQAGDZPGRQWQAN-LLVKDONJSA-N	315.333	2.015	5	40	DEBB	
CC(=O)N1CCC2(CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1	96268662	JBEOGMDYJLTANS-UHFFFAOYSA-N	317.389	2.429	5	40	DEBB	
O=C(O)CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	3866257	VIVVLUNDMBFFKM-UHFFFAOYSA-N	309.156	2.018	5	40	DEBB	
O=C1CCCC(=O)C12Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]12	9340990	QDQVHNIRGDETHW-AWEZNQCLSA-N	314.341	2.428	5	40	DEBB	
CCc1[nH]nc(C(=O)N(C)Cc2ccc(OC)cc2)c1[N+](=O)[O-]	97000696	XFECWQSZBIJZKV-UHFFFAOYSA-N	318.333	2.161	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1OCC(=O)N(C)CC(F)(F)F	96484689	WNVLCVGDVQNVBP-UHFFFAOYSA-N	306.240	2.303	5	40	DEBB	
O=C(NCCCOC[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-]	24236450	FSCJHNMTHSWDHQ-LBPRGKRZSA-N	323.349	2.302	5	40	DEBB	
O=C(NCCOc1ccc2ccccc2c1)[C@@H]1C[C@H]1[N+](=O)[O-]	47272249	LOKKNEHJINGQCZ-HUUCEWRRSA-N	300.314	2.000	5	40	DEBB	
O=c1[nH]c(/C=C/c2c(F)cccc2Cl)nc(O)c1[N+](=O)[O-]	95471455	GXTGATUYFYSRRN-SNAWJCMRSA-N	311.656	2.347	5	40	DEBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1	34930119	HJPFGQQNQIEPHT-UHFFFAOYSA-N	317.326	2.427	5	40	DEBB	
CCc1nn(C)c2[nH]nc(NC(=O)c3ccccc3[N+](=O)[O-])c12	96452847	CXMNXHVMAZPTEQ-UHFFFAOYSA-N	314.305	2.019	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1[N+](=O)[O-]	169617924	CELZKNVTSCTQFY-DEEDKQTDSA-N	324.336	2.461	5	40	DEBB	
CN1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1	22698876	ASIPXDVOSMQMDJ-UHFFFAOYSA-N	318.358	2.292	5	40	DEBB	
O=[N+]([O-])c1c(N[C@@H]2c3ccccc3C[C@@H]2O)nc2ccccn12	53602057	IQQXBGGUMCUMNF-GXTWGEPZSA-N	310.313	2.313	5	40	DEBB	
O=[N+]([O-])c1ncn(Cc2ccc(F)c(Br)c2)n1	48374108	TYFWCXHVZODYAI-UHFFFAOYSA-N	301.075	2.136	5	40	DEBB	
COCCCNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2)n1	6397562	FCJXLBLJVCKLFI-UHFFFAOYSA-N	318.337	2.159	5	40	DEBB	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CC=C(c2ccccc2F)CC1	97162360	BLHGMATTXKDWFX-UHFFFAOYSA-N	316.292	2.387	5	40	DEBB	
O=[N+]([O-])c1cnc(Nc2cccc3nonc23)c([N+](=O)[O-])c1	6445343	OVPSSJMSOYNSSX-UHFFFAOYSA-N	302.206	2.178	5	40	DEBB	
Cn1c(CO)nnc1SCc1ccc([N+](=O)[O-])cc1Cl	97238137	FEWQZGSHAXTBCE-UHFFFAOYSA-N	314.754	2.161	5	40	DEBB	
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@H]2CCC[C@H]2C1	97371906	MITCFIKAIDGRPS-MJBXVCDLSA-N	306.362	2.066	5	40	DEBB	
CCOC(=O)N(C)C1CCN(Cc2ccc([N+](=O)[O-])o2)CC1	96490016	JZMRHHIORSAQPI-UHFFFAOYSA-N	311.338	2.241	5	40	DEBB	
O=[N+]([O-])c1cnc(NCCN2CC=CC2)c(Br)c1	101473055	ZLRZWJIEZIVFSH-UHFFFAOYSA-N	313.155	2.036	5	40	DEBB	
O=c1[nH]n2c(-c3cccc([N+](=O)[O-])c3)nc(O)c2c2ccccc12	103500735	ZXLAKKYGEFGKDI-UHFFFAOYSA-N	322.280	2.457	5	40	DEBB	
O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1	2635036	FQQCULGJMURUKI-OAHLLOKOSA-N	315.281	2.478	5	40	DEBB	
O=C(c1ccccc1)n1nc(-c2ccccc2)nc1C[N+](=O)[O-]	408729346	AZLJLEHNUXHOGB-UHFFFAOYSA-N	308.297	2.410	5	40	DEBB	
CCc1ccc(C(=O)N(C)Cc2nccn2C)cc1[N+](=O)[O-]	89286478	KKAOCSFIXRKQRQ-UHFFFAOYSA-N	302.334	2.163	5	40	DEBB	
O=[N+]([O-])c1cc(F)c2[nH]nc(I)c2c1	96320982	LXKOYGLPPQSSKF-UHFFFAOYSA-N	307.022	2.215	5	40	DEBB	
CN(Cc1cccc([N+](=O)[O-])c1)c1cncc(-n2cccn2)n1	48332865	PWNCRMVRMHFWCF-UHFFFAOYSA-N	310.317	2.207	5	40	DEBB	
COc1ccc(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1	5051407	OVEQZVMUFWYUES-VXGBXAGGSA-N	322.361	2.487	5	40	DEBB	
COc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	7815190	WWULWCJZKYGTBX-UHFFFAOYSA-N	316.313	2.412	5	40	DEBB	
O=C(NCCNc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1	96436732	BGLCRDGJDKMFTF-UHFFFAOYSA-N	301.302	2.142	5	40	DEBB	
Cc1nn(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-]	102596304	STBDLLKQQLGKQE-LPTSXCQYSA-N	306.366	2.041	5	40	DEBB	
O=C(c1ccco1)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1	25072620	VYYXIMYVRJLTRN-UHFFFAOYSA-N	316.317	2.300	5	40	DEBB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H]1CCCC[C@H]1C	8329970	KNFAPERNFZWXIB-MXWKQRLJSA-N	324.333	2.428	5	40	DEBB	
O=C(NCCc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1	4248427	MTCMZDOFUMQJKC-UHFFFAOYSA-N	310.313	2.215	5	40	DEBB	
Cc1cc(OC(=O)CCc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1	9599688	GRFVOMSDFHBYIE-UHFFFAOYSA-N	302.286	2.130	5	40	DEBB	
COC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	29982530	STALSXIPYVASQQ-VIFPVBQESA-N	314.363	2.282	5	40	DEBB	
Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1[N+](=O)[O-]	4310083	QXUCKAQNPSJPTF-LOWVWBTDSA-N	310.375	2.370	5	40	DEBB	
O=C(O)[C@@H]1CCCN1c1cc(Br)ccc1[N+](=O)[O-]	26896406	LMUCMGNPURRICW-VIFPVBQESA-N	315.123	2.411	5	40	DEBB	
CC(C)[C@@H](CCO)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-]	76061353	PUDJHAXYGFDUDO-CYBMUJFWSA-N	321.377	2.306	5	40	DEBB	
O=C(Cn1cnc([N+](=O)[O-])n1)c1cccc(Cl)c1Cl	330031814	DQNCKXBZSFCMQD-UHFFFAOYSA-N	301.089	2.376	5	40	DEBB	
C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(C)Cc1ccccc1	12536690	CBYYWBPTGJTGJC-LBPRGKRZSA-N	315.329	2.416	5	40	DEBB	
CCn1c(Cn2cc([N+](=O)[O-])ccc2=O)nc2cc(F)ccc21	66256150	TZTMFPMYRINHJE-UHFFFAOYSA-N	316.292	2.314	5	40	DEBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCn1ccnc1	97145787	GUBVHDUOXGOZLF-UHFFFAOYSA-N	303.322	2.230	5	40	DEBB	
CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(F)c1)N1CCCC1=O	95991434	ZRIGCQZAEYGJLH-LLVKDONJSA-N	309.297	2.073	5	40	DEBB	
Cc1ccc(NCCCNC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1	96416804	BLTBKGAEDNUTDD-AWEZNQCLSA-N	307.350	2.000	5	40	DEBB	
Cc1cnc(OCC(=O)N[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1	96448230	BDTISTVDOBLUCX-NEPJUHHUSA-N	307.350	2.372	5	40	DEBB	
Cc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)n1	390834482	ZNPRPUZPCOCQLC-UHFFFAOYSA-N	303.293	2.410	5	40	DEBB	
CC(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1	573724986	XVAWJVOGQBGIDB-LBPRGKRZSA-N	314.345	2.423	5	40	DEBB	
CS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	4517929	NMBJYSBMRHMQLC-UHFFFAOYSA-N	320.326	2.251	5	40	DEBB	
O=[N+]([O-])c1cccc(-c2noc(CSc3ncn[nH]3)n2)c1	31840734	BPPJKDRYTYOWJU-UHFFFAOYSA-N	304.291	2.055	5	40	DEBB	
O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1ccco1	32841283	ASPOJGMJMBTQAV-UHFFFAOYSA-N	304.306	2.099	5	40	DEBB	
COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2nccs2)c1	97082591	FAPPSUOOXKVGKJ-UHFFFAOYSA-N	307.331	2.474	5	40	DEBB	
CCc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)C3O)cc1[N+](=O)[O-]	89286484	DKZDSSGLQCPRST-MZBDJJRSSA-N	318.373	2.390	5	40	DEBB	
COc1ccc(Cn2nnc(-c3ccccc3)n2)cc1[N+](=O)[O-]	47369303	RBVJZHHASXAVOP-UHFFFAOYSA-N	311.301	2.305	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	3200316	LIDWXOYWLWNIJE-UHFFFAOYSA-N	308.271	2.336	5	40	DEBB	
O=C(c1ccco1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	48306024	UQCYIWVVLJEQKG-UHFFFAOYSA-N	301.302	2.150	5	40	DEBB	
C[C@H](OC[C@H]1CCCO1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1	71795778	LDQQKQKHWSZBHZ-SMDDNHRTSA-N	308.334	2.142	5	40	DEBB	
C[C@@H](Oc1cccnc1[N+](=O)[O-])c1nc2ccccc2c(=O)[nH]1	7243933	QDCRQNPOOFONCI-SECBINFHSA-N	312.285	2.366	5	40	DEBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc[nH]c1=O	8768164	WBADRVHPEZDCRM-UHFFFAOYSA-N	321.720	2.209	5	40	DEBB	
CC1=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@@H]2C1	100396937	BMSHSEAZTNOHBB-WDEREUQCSA-N	302.286	2.146	5	40	DEBB	
C[C@@H]1CNCCN1c1ccc(Br)cc1[N+](=O)[O-]	54375153	TZORVANCTACDBO-MRVPVSSYSA-N	300.156	2.155	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(Cl)nc1	23374053	JKXJMMHXAXPPQA-UHFFFAOYSA-N	317.688	2.439	5	40	DEBB	
C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1	72285579	KIEGMUZZCLPWFL-LLVKDONJSA-N	306.366	2.447	5	40	DEBB	
O=C(CCC(=O)[C@H]1CCCC1=O)Nc1cccc([N+](=O)[O-])c1	1614005	FUJVYOCHRWIEKH-LBPRGKRZSA-N	304.302	2.252	5	40	DEBB	
O=[N+]([O-])c1cnc(N2CCC(C3OCCO3)CC2)c(Cl)c1	96412871	RWUWPEBYCZLUQK-UHFFFAOYSA-N	313.741	2.233	5	40	DEBB	
O=C(c1cccc(O)c1)n1nc(-c2ccccc2)nc1C[N+](=O)[O-]	408731472	KUXYULMEUDYDBT-UHFFFAOYSA-N	324.296	2.116	5	40	DEBB	
Cc1ccccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	16496777	NRZTUBYELYABLQ-JTQLQIEISA-N	301.302	2.083	5	40	DEBB	
CN(CCOc1ccc(Cl)cc1)c1c([N+](=O)[O-])ncn1C	8319258	ZHITUZBRZBOGFL-UHFFFAOYSA-N	310.741	2.497	5	40	DEBB	
CC[C@](Cl)([C@@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	96520712	GDAAAYIZVSPRSL-NWDGAFQWSA-N	321.782	2.408	5	40	DEBB	
O=C(O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	12021593	AHAPLMWCHZWIAW-UHFFFAOYSA-N	300.270	2.474	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)O)c1	3197107	ZNXSWNUKMUZNKP-UHFFFAOYSA-N	300.270	2.474	5	40	DEBB	
CN1CCCC[C@@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1	69563069	UMJXSIGWEOSLPW-OAHLLOKOSA-N	318.421	2.201	5	40	DEBB	
CC(C)(C)CC(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-]	69921399	GIICMUOTISLUJF-UHFFFAOYSA-N	323.349	2.085	5	40	DEBB	
CN(C(=O)c1ccc2c(c1)nnn2C)c1cccc([N+](=O)[O-])c1	95436566	PLFJEQPKZRKKOM-UHFFFAOYSA-N	311.301	2.153	5	40	DEBB	
Cc1c(CC(=O)NC[C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-]	161816193	HNXZXSVVYIEDLP-GFCCVEGCSA-N	316.361	2.095	5	40	DEBB	
Cc1c(C(=O)N[C@@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-]	31592014	KJDWZCFVLSSLMR-CYBMUJFWSA-N	314.345	2.444	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	1934308	BSPGCHNMWGENSC-UHFFFAOYSA-N	300.270	2.390	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccnc(C)n1	56527738	VDQMQHUZJLQFAP-UHFFFAOYSA-N	317.305	2.024	5	40	DEBB	
O=[N+]([O-])c1c(NC[C@@H](CO)Cc2ccco2)nc2ccccn12	12736514	LDIWYSNDGFZJER-NSHDSACASA-N	316.317	2.099	5	40	DEBB	
COc1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	16090346	LWCNNKIRDUPAMY-UHFFFAOYSA-N	309.299	2.371	5	40	DEBB	
CN(CC[C@H]1CCCCN1C)C(=O)Cc1ccc([N+](=O)[O-])cc1	72297696	MFMYLNUMXVQCMT-OAHLLOKOSA-N	319.405	2.470	5	40	DEBB	
COc1ccc(OCc2c(F)cccc2[N+](=O)[O-])c(C(N)=O)c1	69776116	MIKOGBGQLFDRJL-UHFFFAOYSA-N	320.276	2.420	5	40	DEBB	
Cc1cc([C@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)c(C)s1	95452334	CPRYLNOYCNDDJE-QMMMGPOBSA-N	308.363	2.498	5	40	DEBB	
COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[S@@](=O)C(F)(F)F	5258790	QNYCXBXQHOTFMV-FQEVSTJZSA-N	314.197	2.139	5	40	DEBB	
C/C=C/C(=O)OCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-]	4947384	SWFRBIAWQQOQRV-HWKANZROSA-N	308.290	2.051	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1	3383949	MBBWDZCKDJWPEJ-UHFFFAOYSA-N	306.318	2.201	5	40	DEBB	
CN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O	80646409	PZOWRVNGAHMIEW-VIFPVBQESA-N	303.240	2.256	5	40	DEBB	
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)c2c(-c3ccco3)n[nH]c21	20855205	WZKYKYKRWDCXSW-GFCCVEGCSA-N	310.269	2.411	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[C@H](C(=O)O)CC1	102674463	PJGKPYCPWXAOSU-BETUJISGSA-N	320.345	2.145	5	40	DEBB	
Cc1cc(OC(=O)c2c(F)cccc2F)c([N+](=O)[O-])c(=O)[nH]1	4248367	QEZWUKQNVICUJN-UHFFFAOYSA-N	310.212	2.089	5	40	DEBB	
Cc1ccc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	9689953	LZEUDGTXYOADOH-OAHLLOKOSA-N	300.314	2.367	5	40	DEBB	
Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	38145404	GJCNDHSFAUHADH-UHFFFAOYSA-N	302.246	2.459	5	40	DEBB	
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O	195567436	KXGYYXFBJXVXAF-SSDOTTSWSA-N	305.290	2.396	5	40	DEBB	
COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[S@](=O)C(F)(F)F	5258792	QNYCXBXQHOTFMV-HXUWFJFHSA-N	314.197	2.139	5	40	DEBB	
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)nc2)cc1	6314742	QECJTOYRBZJTIW-UHFFFAOYSA-N	314.706	2.411	5	40	DEBB	
CCc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1[N+](=O)[O-]	30397056	SJZZRVOLKAOZKE-UHFFFAOYSA-N	319.361	2.354	5	40	DEBB	
CCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	32402498	WSXPWDKXPQLBGT-UHFFFAOYSA-N	302.352	2.070	5	40	DEBB	
COc1cc(NC(=O)CN2CCC(C)CC2)ccc1[N+](=O)[O-]	408555452	XDCDFOXDMBIHNK-UHFFFAOYSA-N	307.350	2.274	5	40	DEBB	
COc1cccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)c1	223373358	HABLLAHZYASECB-UHFFFAOYSA-N	316.313	2.412	5	40	DEBB	
O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	100860218	GSDBCHAEOYYDKA-FQPOAREZSA-N	302.286	2.056	5	40	DEBB	
Cc1ccc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	25390015	NNQZOSJSEBISSJ-UHFFFAOYSA-N	324.292	2.382	5	40	DEBB	
Cn1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)cn1	76064035	NKNRTFQVFMSGEV-CYBMUJFWSA-N	301.350	2.409	5	40	DEBB	
COc1cc2c(=O)c3c(O)c(OC)c(O)cc3oc2cc1O	3782686	MEDZADGBRDMLGM-UHFFFAOYSA-N	304.254	2.080	5	40	DEBB	biogenic,in-vitro
CCOC(=O)N1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1	7813668	DRBPWWNCJXLWSN-UHFFFAOYSA-N	321.333	2.076	5	40	DEBB	
O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2ccncc2)CC1	95982347	BSSDWAPJVKYAFC-UHFFFAOYSA-N	314.345	2.018	5	40	DEBB	
COc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	23993955	ZCFYHQBQFJKDRK-UHFFFAOYSA-N	322.342	2.082	5	40	DEBB	
Cc1c([N+](=O)[O-])cc(I)cc1[N+](=O)[O-]	1687553	WUAIWTSYHSWFDT-UHFFFAOYSA-N	308.031	2.416	5	40	DEBB	
O=C(COc1cccnc1[N+](=O)[O-])NCCC1=CCCCC1	5638100	OHXQZJYLNZIMQB-UHFFFAOYSA-N	305.334	2.375	5	40	DEBB	
NC(=O)COc1cccc(CNc2cccc([N+](=O)[O-])c2)c1	408558317	RAUDOQVYSTWLSM-UHFFFAOYSA-N	301.302	2.071	5	40	DEBB	
O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CCc2ccccc2C1	77943152	DGBWYMCOKUJGNW-HNNXBMFYSA-N	315.329	2.282	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(C)n1C1CC1	97230627	GLGDWPNYKKZDCY-UHFFFAOYSA-N	316.317	2.495	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCN3CCCC[C@@H]3C2)c([N+](=O)[O-])c1	32823949	RVYFEWBATUZWFO-GFCCVEGCSA-N	306.322	2.178	5	40	DEBB	
CCN1CCC[C@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	32895432	JPKKOMQEHWUDCY-NSHDSACASA-N	322.365	2.209	5	40	DEBB	
COc1ccc(NC(=O)COC(=O)C=C(C)C)c([N+](=O)[O-])c1	4870759	FETSBGFKTSQLRQ-UHFFFAOYSA-N	308.290	2.051	5	40	DEBB	
N#CN(Cc1cccc(C(N)=O)c1)c1ccc(F)c([N+](=O)[O-])c1	96459460	BHMATGXNKGRWCL-UHFFFAOYSA-N	314.276	2.320	5	40	DEBB	
CCc1n[nH]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1	5961433	DQRJVCMNTDZQFE-UHFFFAOYSA-N	321.362	2.315	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCCc1ccccc1O	54089454	XZUVQOPMEDMRCL-UHFFFAOYSA-N	300.314	2.202	5	40	DEBB	
COC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-]	12765556	ICRUVCFQZMUIEU-ATWMFIQVSA-N	318.329	2.162	5	40	DEBB	
Cc1nc2ccccn2c(=O)c1NC(=O)c1cccc([N+](=O)[O-])c1	9616736	UCDLTAFHOYGOGB-UHFFFAOYSA-N	324.296	2.163	5	40	DEBB	
O=C(NCCNc1ccncc1)Nc1cccc([N+](=O)[O-])c1	40555351	XLIJOSFRMWFTDT-UHFFFAOYSA-N	301.306	2.223	5	40	DEBB	
O=C(O[C@H]1CCCCNC1=O)c1ccc([N+](=O)[O-])cc1Cl	32871662	JOITUFSYNSNYCF-NSHDSACASA-N	312.709	2.074	5	40	DEBB	
NCCNc1ccc([N+](=O)[O-])c(NCCOc2ccccc2)c1	3963722	FPSUNCLAPHMIGE-UHFFFAOYSA-N	316.361	2.456	5	40	DEBB	
O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1ccc([N+](=O)[O-])cc1	102280448	BPLOXGHFUHUKIW-MJVIPROJSA-N	316.313	2.289	5	40	DEBB	
CN(C(=O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1)C1CC1	97108600	OTBOCCUKXDEELY-UHFFFAOYSA-N	300.318	2.079	5	40	DEBB	
Cc1csc(CNC(=O)COc2cccc([N+](=O)[O-])c2)n1	46334965	BCHLNPQQGOQARJ-UHFFFAOYSA-N	307.331	2.055	5	40	DEBB	
CCCc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)[nH]n1	29888663	NAGDGXOGLFVAQQ-UHFFFAOYSA-N	300.318	2.473	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)cc1	6610861	POZUMMMWEWLCRL-UHFFFAOYSA-N	318.314	2.272	5	40	DEBB	
O=[N+]([O-])c1cnc(N[C@H](CCO)C2CCOCC2)c(Cl)c1	95943018	PSZGTHVFRPNPBP-GFCCVEGCSA-N	315.757	2.233	5	40	DEBB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-]	409176872	ZRXWAAASOGEAIQ-QQXRRDQMSA-N	302.261	2.045	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C)C1	4902660	ZXWBUKZBPNOONX-NSHDSACASA-N	307.350	2.274	5	40	DEBB	
COc1ccccc1OCCNC(=O)c1cccc([N+](=O)[O-])c1	18075342	URVBBZWIIOXSPF-UHFFFAOYSA-N	316.313	2.412	5	40	DEBB	
C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1	5044580	FPNNTVXMNMFHKD-SNVBAGLBSA-N	306.318	2.199	5	40	DEBB	
C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1	58364415	RZSKPYUUAPLEOA-TXEJJXNPSA-N	317.345	2.185	5	40	DEBB	
Cc1ccc(N(O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	3212399	AHROYOSQQPNHPO-UHFFFAOYSA-N	308.315	2.488	5	40	DEBB	
C[C@H]1[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[S@]1=O	110670756	SBRVSJGYLZOJCI-BNMUBRSASA-N	323.374	2.077	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1Oc1ncnc2c1cnn2C	12912330	AJXAZILBYBEEPY-UHFFFAOYSA-N	301.262	2.072	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc([N+](=O)[O-])cc1	3899175	UPPFXSGCYNZWCS-UHFFFAOYSA-N	313.225	2.304	5	40	DEBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCCOc1ccc(F)cc1	29293924	DTEZUQRFYPFMFZ-UHFFFAOYSA-N	318.304	2.472	5	40	DEBB	
Cc1cccc(C(=O)OCc2nncn2C2CC2)c1[N+](=O)[O-]	89492044	HMDQDUIXFFVESZ-UHFFFAOYSA-N	302.290	2.187	5	40	DEBB	
C[C@@](O)(CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccs1	96450341	GMFFVQGDGBEYGQ-CQSZACIVSA-N	324.333	2.433	5	40	DEBB	
O=C1c2ccccc2C(=O)N1CCOc1ccc([N+](=O)[O-])cc1	187633	VFNDRADEXFGTHH-UHFFFAOYSA-N	312.281	2.270	5	40	DEBB	
Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](C)C2)cc1[N+](=O)[O-]	96455204	RIKBTTGYAYGOBM-NEPJUHHUSA-N	307.350	2.395	5	40	DEBB	
O=C(C1CCCC1)N1CCCN(c2ncccc2[N+](=O)[O-])CC1	32831464	SBFRRSABSCSULE-UHFFFAOYSA-N	318.377	2.219	5	40	DEBB	
CC[C@H](CCO)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	79074386	QDJHBFPXUAXIDW-CYBMUJFWSA-N	323.393	2.312	5	40	DEBB	
Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)no1	12845574	RNLDHGWSIBOFCB-VIFPVBQESA-N	319.273	2.075	5	40	DEBB	
O=C(COc1ccc(C(=O)O)cc1[N+](=O)[O-])Nc1ccccc1	13053827	JORDJXUIQWKFSB-UHFFFAOYSA-N	316.269	2.311	5	40	DEBB	
O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1	240201	MTQXGIZWLFUPTA-OCCSQVGLSA-N	308.359	2.348	5	40	DEBB	
Cc1nn([C@H](C)c2nc3c4ccccc4ncn3n2)cc1[N+](=O)[O-]	2806227	HKDSTELLSBICLX-SNVBAGLBSA-N	323.316	2.300	5	40	DEBB	
NC(=O)Nc1ccc(C(=O)COc2ccccc2[N+](=O)[O-])cc1	25288420	BRFBQYSQJNRLEO-UHFFFAOYSA-N	315.285	2.347	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cccc(Cl)n1	96436619	RGGDRPFIRKHNHX-UHFFFAOYSA-N	317.688	2.439	5	40	DEBB	
O=C1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCN1c1ccccc1F	71900458	IBDIBCWZJPGNHJ-LBPRGKRZSA-N	316.292	2.346	5	40	DEBB	
C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H]2CC[C@H]1C2	102596332	YKJSYULAWIYHAE-OWTLIXCDSA-N	306.366	2.122	5	40	DEBB	
Cc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)cc1	521511	WYZFWPOFUJLDFX-UHFFFAOYSA-N	303.321	2.487	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)n[nH]c1C	36736346	HYYYGFOEKCDSEM-UHFFFAOYSA-N	310.335	2.044	5	40	DEBB	
CCN1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)C1	46955895	RIECFBYSPWOSRW-LBPRGKRZSA-N	306.366	2.367	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H]1C[C@@H]1C	12692086	AWZKDCNWIIUGSG-NGZCFLSTSA-N	322.317	2.130	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cnc2ccccc2c1	204654	ZWVCDQBUJRPLSH-UHFFFAOYSA-N	311.301	2.287	5	40	DEBB	
Cc1cc(=O)n(C)cc1NC(=O)c1cccc([N+](=O)[O-])c1C	72309980	OAJHMFSPIRWOIG-UHFFFAOYSA-N	301.302	2.163	5	40	DEBB	
O=c1c2ccc([N+](=O)[O-])cc2ncn1CCOc1ccccc1	2621198	AMQILLDSXKFBTQ-UHFFFAOYSA-N	311.297	2.384	5	40	DEBB	
O=C(CCNc1ccccc1[N+](=O)[O-])NCCc1ccc[nH]1	95451375	LTXGMXHXEXSGSH-UHFFFAOYSA-N	302.334	2.084	5	40	DEBB	
Cc1cc(S(=O)(=O)Nc2cnn(C(C)C)c2)ccc1[N+](=O)[O-]	71908798	LARVGDYFSWCCKI-UHFFFAOYSA-N	324.362	2.481	5	40	DEBB	
C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	9855205	VVNWNSQULXOHCZ-NSHDSACASA-N	313.313	2.411	5	40	DEBB	
CC[C@H](NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1nc(C(F)(F)F)cs1	73278793	LKZQBYGLLLYJQF-ACZMJKKPSA-N	323.296	2.394	5	40	DEBB	
CC[C@](Cl)(C(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96518390	YPKLEPPAYVHZDT-LLVKDONJSA-N	305.739	2.167	5	40	DEBB	
CC(C)c1noc(Cn2cc(Br)c([N+](=O)[O-])n2)n1	42350122	WOGWUQAYNDBWFF-UHFFFAOYSA-N	316.115	2.109	5	40	DEBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)n1	102568793	WEGIZRZHRSLDFI-DDHJBXDOSA-N	306.366	2.366	5	40	DEBB	
O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	222388990	AYWZFTGIMWRJHE-QHSBEEBCSA-N	312.325	2.292	5	40	DEBB	
Cc1c(NC(=O)c2ccc(-n3cnnn3)cc2)cccc1[N+](=O)[O-]	25135022	XLUIVAJRDBPHGT-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
Cc1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1[N+](=O)[O-]	40525422	JICWWIRBLXNDIP-UHFFFAOYSA-N	321.333	2.274	5	40	DEBB	
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1ncn(C)c1=S	32923170	WJUNOYFFDPXTOQ-SECBINFHSA-N	305.363	2.268	5	40	DEBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1NCCO	23153077	JYYVNPSQIGZHCW-UHFFFAOYSA-N	316.313	2.356	5	40	DEBB	
CC[C@H](CN1CCCC1)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-]	72289215	WGSVCHBOXQBCCQ-CYBMUJFWSA-N	320.393	2.241	5	40	DEBB	
CC(C)[C@H](NC(=O)Cn1cnc([N+](=O)[O-])c1)c1ccccc1	12748484	ISLDQOJRORTPQI-HNNXBMFYSA-N	302.334	2.305	5	40	DEBB	
Cc1[nH]nc(C(=O)N(C)c2ccc3ccccc3n2)c1[N+](=O)[O-]	96444806	DRDMJEABYSSYID-UHFFFAOYSA-N	311.301	2.451	5	40	DEBB	
CS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	5223301	PLADXSJTKFOINS-UHFFFAOYSA-N	320.326	2.251	5	40	DEBB	
COc1ccc(NC(=S)NC(=O)c2ccco2)cc1[N+](=O)[O-]	9064283	QOBXAOIQPXPUAL-UHFFFAOYSA-N	321.314	2.323	5	40	DEBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)CN1CCOC1=S	12883944	JVDOXKSQFVLTKH-UHFFFAOYSA-N	315.782	2.255	5	40	DEBB	
COc1ccc(Oc2ncnc3c2cnn3C)c([N+](=O)[O-])c1	12485364	LSJUAIVCBYCKPA-UHFFFAOYSA-N	301.262	2.072	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1O	21817943	XULBLVRBNQRCFS-UHFFFAOYSA-N	308.315	2.410	5	40	DEBB	
Cc1ccccc1-n1c2nc(=O)[nH]c(=O)c-2cc2ccccc21	521454	CGYVQMMDAFMJEY-UHFFFAOYSA-N	303.321	2.487	5	40	DEBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1C(C)C	66248477	PWLULDMARWABQD-UHFFFAOYSA-N	324.362	2.481	5	40	DEBB	
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1	12787469	IBJKIDWSQBNAIH-UHFFFAOYSA-N	314.223	2.449	5	40	DEBB	
Cc1c(NC(=O)c2cccc(-n3cnnn3)c2)cccc1[N+](=O)[O-]	14244325	OYUKCMUHMAEYOY-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
Cc1cccc(N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)c1C	17053301	QDGBWYHDHBGSRZ-UHFFFAOYSA-N	315.377	2.188	5	40	DEBB	
Cc1noc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(C)C)n1	71899709	USNFVAAEWYTSRZ-LBPRGKRZSA-N	320.305	2.119	5	40	DEBB	
CCOc1cccc(N[C@@H]2CC(=O)N(C3CC3)C2)c1[N+](=O)[O-]	97140746	MIQLENMETRESOB-SNVBAGLBSA-N	305.334	2.169	5	40	DEBB	
O=C(O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	5003084	YJCMSQLOXDAOFZ-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	
O=[N+]([O-])c1ccccc1CNS(=O)(=O)Cc1cccc(F)c1	68881822	VDHXIYXIGFYIKR-UHFFFAOYSA-N	324.333	2.354	5	40	DEBB	
C[C@@H](O)CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1	71908242	SOKXQBKJXIOAFZ-LLVKDONJSA-N	307.350	2.014	5	40	DEBB	
CCc1nn(C)c2[nH]nc(NC(=O)c3ccc([N+](=O)[O-])cc3)c12	72286158	IXDVAABQKKJMPL-UHFFFAOYSA-N	314.305	2.019	5	40	DEBB	
COc1ccc(C)cc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1	95994871	SMZNQYDRZOHDHS-JTQLQIEISA-N	304.306	2.308	5	40	DEBB	
CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(C(C)(F)F)C1	409002113	MERPQKGBOXFONY-ZDUSSCGKSA-N	313.260	2.160	5	40	DEBB	
C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1	68479911	MTMMRQYBOIPZNL-GFCCVEGCSA-N	321.377	2.346	5	40	DEBB	
CCCOc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1	9010308	KUYFFVQJTNDCBI-VMPITWQZSA-N	317.301	2.343	5	40	DEBB	
CCC(=O)Nc1cc2c(cc1[N+](=O)[O-])n(CC)c(=O)n2CC	408536757	XUESUDUMMFLBBN-UHFFFAOYSA-N	306.322	2.100	5	40	DEBB	
C[C@@H](C(=O)O)N1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O	2272884	PWLOWAYWELMUIJ-LOBLAWFCSA-N	322.298	2.104	5	40	DEBB	
Cn1nc(C2CCC2)cc1NC(=O)c1c(N)cccc1[N+](=O)[O-]	97235056	BSXRAVUOYCYSJM-UHFFFAOYSA-N	315.333	2.430	5	40	DEBB	
Cc1ccc(SCCNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1C	95977978	JTDIDRYWKYRIEZ-UHFFFAOYSA-N	320.374	2.457	5	40	DEBB	
O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-]	409183502	UJSNDFRHLDJQKF-QYAIJTBZSA-N	316.288	2.436	5	40	DEBB	
COc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	74986381	CXUDTCDDKKLISH-UHFFFAOYSA-N	322.342	2.082	5	40	DEBB	
Cc1cc(N[C@H]2CS(=O)(=O)c3ccccc32)ncc1[N+](=O)[O-]	97376182	HFBQBWGWZGPMDK-NSHDSACASA-N	319.342	2.239	5	40	DEBB	
Cc1cc(S(=O)(=O)N(CC(F)F)C2CC2)ccc1[N+](=O)[O-]	96406688	FHXHXJUNVPHDNJ-UHFFFAOYSA-N	320.317	2.321	5	40	DEBB	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2ccccc2[nH]1	43925648	XINBFVWEHZUCKZ-UHFFFAOYSA-N	314.301	2.438	5	40	DEBB	
Nc1nc(N)nc(-c2ccccc2-c2ccccc2[N+](=O)[O-])n1	1714931	AOGXCLFEBAMIHV-UHFFFAOYSA-N	308.301	2.278	5	40	DEBB	
Cn1ccc2ccn(CCOc3ccc([N+](=O)[O-])cc3)c(=O)c21	96007407	UOFUFHIOMBRVLQ-UHFFFAOYSA-N	313.313	2.327	5	40	DEBB	
CCC12CN3CC(C)(CN(C1)C3c1cccc([N+](=O)[O-])c1)C2=O	19327487	PKNVRDQLVGJJEP-UHFFFAOYSA-N	315.373	2.210	5	40	DEBB	
Cc1sc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1[N+](=O)[O-]	96490139	GCIZUEAKVAJAQW-VIFPVBQESA-N	321.362	2.450	5	40	DEBB	
C[C@@H](NCCCn1cccn1)c1cc2c(cc1[N+](=O)[O-])OCO2	95419823	VQZCZVRVGDEKKT-LLVKDONJSA-N	318.333	2.261	5	40	DEBB	
CC(C)n1cnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	5417764	AEUYQFYYBZJVCE-UHFFFAOYSA-N	321.362	2.498	5	40	DEBB	
CC(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	20611762	LBHMRVWAGGCDHL-UHFFFAOYSA-N	307.350	2.416	5	40	DEBB	
CCN(CC(=O)NCc1cccs1)c1ncccc1[N+](=O)[O-]	23702236	DQTFTLXMUFEQQJ-UHFFFAOYSA-N	320.374	2.194	5	40	DEBB	
CNc1ccc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1[N+](=O)[O-]	45528936	MNOKTKZFIRKGGM-MDWZMJQESA-N	323.308	2.447	5	40	DEBB	
CCOCCCNc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12	5528913	TZSGNCLHTXPYLK-UHFFFAOYSA-N	305.334	2.285	5	40	DEBB	
O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccc(F)cc2)cn1	95398323	WJGVJWCVAAOSPZ-GFCCVEGCSA-N	305.309	2.392	5	40	DEBB	
O=[N+]([O-])c1cccnc1NC[C@H](CO)Cc1ccncc1Cl	521398684	ZCFCTANTQYKEQB-SNVBAGLBSA-N	322.752	2.301	5	40	DEBB	
O=c1nc(SCc2ccc([N+](=O)[O-])cc2)c2c([nH]1)CCC2	5154265	XEIYHCFENQLXBI-UHFFFAOYSA-N	303.343	2.459	5	40	DEBB	
CCOc1ccc([C@H](C)N[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-]	95982172	FUKPZKRVBGTFFG-AAEUAGOBSA-N	321.377	2.265	5	40	DEBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc([N+](=O)[O-])c1	2069020	XVSPRQFWTJWFKB-UHFFFAOYSA-N	313.225	2.304	5	40	DEBB	
Cc1nn(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-]	102596300	STBDLLKQQLGKQE-IXOXFDKPSA-N	306.366	2.041	5	40	DEBB	
O=C(NCc1ccccn1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1	72329419	WYWNXFCYPHXIFN-UHFFFAOYSA-N	323.312	2.310	5	40	DEBB	
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1	71795776	LDQQKQKHWSZBHZ-FZMZJTMJSA-N	308.334	2.142	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3cccnc3[nH]2)c1	194237403	CMVJOXWTAVUCSF-UHFFFAOYSA-N	311.301	2.105	5	40	DEBB	
COc1ccc(CNc2ccc3c(c2)C(=O)NC3)cc1[N+](=O)[O-]	96482822	QUDBEKGRIBMPHC-UHFFFAOYSA-N	313.313	2.459	5	40	DEBB	
CCOC(=O)c1cc([N+](=O)[O-])ccc1I	21990579	ZCWYGSBIQNNEBO-UHFFFAOYSA-N	321.070	2.376	5	40	DEBB	
O=C(N[C@@H]1CCSC1=O)c1ccc(Cl)c([N+](=O)[O-])c1	183118	HAAUYRHTOYLFAP-MRVPVSSYSA-N	300.723	2.010	5	40	DEBB	
CCC(C)(C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	3551702	GANAXWYCBWMEID-UHFFFAOYSA-N	307.350	2.020	5	40	DEBB	
Cc1nn(C)c(NCc2ccnc(OCC3CC3)c2)c1[N+](=O)[O-]	71889668	GVPRPEWOHMVQNZ-UHFFFAOYSA-N	317.349	2.433	5	40	DEBB	
Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1[N+](=O)[O-]	14258501	PCQHQFGKIOLHSC-UHFFFAOYSA-N	312.285	2.325	5	40	DEBB	
CCOC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	341721	SFUOAIRNUIFKPE-UHFFFAOYSA-N	306.318	2.010	5	40	DEBB	
CCC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1	43272275	DKUILYIYZWZAFU-ZDUSSCGKSA-N	302.334	2.449	5	40	DEBB	
CC(C)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	71908048	NJJAMILQXIQEGB-CYBMUJFWSA-N	321.377	2.041	5	40	DEBB	
CCC12CN3CC(C)(CN(C1)C3c1ccc([N+](=O)[O-])cc1)C2=O	19327354	VZJQCNWVRCGUNV-UHFFFAOYSA-N	315.373	2.210	5	40	DEBB	
NC(=O)COc1ccccc1CNc1cccc([N+](=O)[O-])c1	408557109	MENXYGDGTYGACS-UHFFFAOYSA-N	301.302	2.071	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cn1cncn1	74235310	SMNJFENCTFLTIO-UHFFFAOYSA-N	323.312	2.487	5	40	DEBB	
COc1ccc([C@@H](C[N+](=O)[O-])n2nc(C)cc2C)cc1OC	75168	PNYHOXUVMIIMRU-CYBMUJFWSA-N	305.334	2.383	5	40	DEBB	
O=C(CCn1cnc([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1	26070879	PSJGVTTZQUGJDZ-UHFFFAOYSA-N	314.345	2.373	5	40	DEBB	
O=C(CN1CCO[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-]	58266868	SOTUWNQBKCIOHP-LSDHHAIUSA-N	319.361	2.177	5	40	DEBB	
CCn1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1=O	47181849	UTAJOKWQUDKUGF-SOFGYWHQSA-N	313.313	2.428	5	40	DEBB	
Cc1sc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C(N)=O)c1C	5144873	IQYPYDQXDRQUIS-UHFFFAOYSA-N	309.303	2.217	5	40	DEBB	
O=C(NO[C@H]1CCCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1	58370476	BCFOSNAVUYVWGG-LBPRGKRZSA-N	305.290	2.264	5	40	DEBB	
CC(C)CNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1	5178056	MJVSXNIHHRSRGY-JTQLQIEISA-N	308.386	2.271	5	40	DEBB	
O=[N+]([O-])c1ccc(N[C@H](Cn2cncn2)c2ccccc2)nc1	78334069	PZCJHPTWQQQKEC-CQSZACIVSA-N	310.317	2.435	5	40	DEBB	
CCN(c1ccncc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	195343736	RXBWBRLJZOLXIP-UHFFFAOYSA-N	307.331	2.205	5	40	DEBB	
CCOC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1	96007165	WUNYGZUYPHMAAO-HIFRSBDPSA-N	322.361	2.043	5	40	DEBB	
O=C1C(=O)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21	5280145	QFTZQPWWMWHPPZ-UHFFFAOYSA-N	313.225	2.364	5	40	DEBB	
Cc1ccc2c(I)n[nH]c2c1[N+](=O)[O-]	14986294	YUUVGRPLNQJQOD-UHFFFAOYSA-N	303.059	2.384	5	40	DEBB	in-vitro
COCCOC(=O)Cn1c2ccccc2c(=O)c2ccccc21	10723431	IJEOGJJFQXJKFH-UHFFFAOYSA-N	311.337	2.344	5	40	DEBB	
O=C(OCC(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1	3313028	HZMXFYYIYMWLSD-UHFFFAOYSA-N	306.318	2.154	5	40	DEBB	
OCCCNC(=S)Nc1cc2ccncc2c2ncccc12	408976968	UCJCXCZWEXGOTB-UHFFFAOYSA-N	312.398	2.452	5	40	DEBB	
CC1=CC[C@@]2(C(=O)NN=C2O)[C@@H](c2ccc([N+](=O)[O-])cc2)C1	7089630	WRQAINOKCFFBDD-GFCCVEGCSA-N	301.302	2.406	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccccn2)CC1	8429830	CAFIXOSSJAHDTD-UHFFFAOYSA-N	318.358	2.014	5	40	DEBB	
Cc1sc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-]	84028511	OTTCPPZKGDNYDN-JSGCOSHPSA-N	318.354	2.353	5	40	DEBB	
O=C(NCc1cccnc1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1	72329420	ZZRCYKOXUKOXAO-UHFFFAOYSA-N	323.312	2.310	5	40	DEBB	
O=[N+]([O-])c1ccn(C[C@H](O)CO[C@@H]2CCCc3ccccc32)n1	195545788	OAXNPHYNIFPLJS-DZGCQCFKSA-N	317.345	2.246	5	40	DEBB	
O=C(NCc1ccco1)c1ccc2nc3ccccc3c(=O)n2c1	6918944	SBMMYVSNBRLLRJ-UHFFFAOYSA-N	319.320	2.371	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1[N+](=O)[O-]	100562701	ONTOEUISULMAAH-VKKKGTNTSA-N	320.393	2.349	5	40	DEBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccccc1F	3234172	ULBLYZNVSDLZAY-UHFFFAOYSA-N	308.221	2.122	5	40	DEBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2ccn[nH]2)C1	89809674	UYWHWHIYBWMWDK-LLVKDONJSA-N	300.318	2.338	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccncc1F	120850351	BQDYOOWYSMECHC-UHFFFAOYSA-N	311.294	2.238	5	40	DEBB	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccnc2)c1	79042873	DUSLIPZJSIEAHL-SNVBAGLBSA-N	301.302	2.489	5	40	DEBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2ccn[nH]2)C1	96402859	VBFFQXJFCSOOHI-LBPRGKRZSA-N	300.318	2.338	5	40	DEBB	
Cc1cc(C)cc(OC[C@@H](O)Cn2nc(C)c([N+](=O)[O-])c2C)c1	42755277	ZUBPEGBQUKCJFK-AWEZNQCLSA-N	319.361	2.465	5	40	DEBB	
O=C(NC1CCCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	807597	PSAGCDABYSDGIK-UHFFFAOYSA-N	302.286	2.374	5	40	DEBB	
Cc1ccc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	9689951	LZEUDGTXYOADOH-HNNXBMFYSA-N	300.314	2.367	5	40	DEBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnn(C)c1	10902613	MKMFDBWASMLXKJ-UHFFFAOYSA-N	308.725	2.254	5	40	DEBB	
CC(C)CN(CC(=O)O)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	62742018	KXVVZGMHXDGCPD-UHFFFAOYSA-N	314.725	2.431	5	40	DEBB	
O=C(O)c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2)c1	3844754	IHXNSESIGGKWFN-UHFFFAOYSA-N	322.298	2.094	5	40	DEBB	biogenic
O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N1CCOCC1	13574159	BWMYEOZNMQQQIR-UHFFFAOYSA-N	312.372	2.117	5	40	DEBB	
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	42030	UDLOBPWBPRYOTP-CYBMUJFWSA-N	319.317	2.174	5	40	DEBB	
C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCCCC3)n2)C1	5149088	ZOUHQTIXIOXIIP-NSHDSACASA-N	320.397	2.194	5	40	DEBB	
CN(C)C(=O)[C@H]1CCCN1c1nc2ccc([N+](=O)[O-])cc2s1	65519414	WAADGCKUMOGACA-LLVKDONJSA-N	320.374	2.262	5	40	DEBB	
O=C(O[C@H]1CCCCNC1=O)c1ccc(Cl)cc1[N+](=O)[O-]	14851951	MQFZUWJNWBAENE-NSHDSACASA-N	312.709	2.074	5	40	DEBB	
Cc1ccc(OCC(=O)N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])n1	9713625	GRQMETJRQHDLGN-QWRGUYRKSA-N	307.350	2.182	5	40	DEBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1cccc(O)c1	76082955	VKFZGMDGOKSFTG-UHFFFAOYSA-N	300.314	2.202	5	40	DEBB	
CC(C)NC(=O)[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	3850920	GOECIAGAOXOGET-INIZCTEOSA-N	321.377	2.264	5	40	DEBB	biogenic
O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	2736396	VEDGJEPLCUKFLD-UWVGGRQHSA-N	308.265	2.339	5	40	DEBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)CCC2	65714854	QKQLMTCIQRDHCD-UHFFFAOYSA-N	300.318	2.227	5	40	DEBB	
O=[N+]([O-])c1ccc(N2N=N[C@H]3CCC[C@@]32N2CCOCC2)cc1	20414177	ODAVCVHDXPHEQW-GJZGRUSLSA-N	317.349	2.363	5	40	DEBB	
O=[N+]([O-])c1ccccc1CN[C@H]1CCN(c2ncccc2F)C1	97036887	KTFQAFQIIPRULK-ZDUSSCGKSA-N	316.336	2.497	5	40	DEBB	
Cc1cc(NC(=O)NCc2cnn(C)c2C)ccc1[N+](=O)[O-]	97095976	KDYGFNKMOOWTMC-UHFFFAOYSA-N	303.322	2.267	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@@H](O)COCc2ccccc2Cl)c1	95438798	HGVWHNKPAZIGQS-GFCCVEGCSA-N	311.725	2.022	5	40	DEBB	
CN(C[C@H](O)COCc1ccccc1)c1ccncc1[N+](=O)[O-]	79002645	FIBDVMKSSCSISU-AWEZNQCLSA-N	317.345	2.004	5	40	DEBB	
COC(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@@H]1N1CCCCC1	19904346	YSDZQYUIYMLQBR-HNNXBMFYSA-N	318.329	2.356	5	40	DEBB	
CCOc1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-]	2625923	RABVLAHHWQFTSI-UHFFFAOYSA-N	317.301	2.406	5	40	DEBB	
CC(C)(C)OC(=O)N1CCC(Cn2cc([N+](=O)[O-])cn2)CC1	77932205	FUOPSEDODUJYKI-UHFFFAOYSA-N	310.354	2.438	5	40	DEBB	
O=C(O)c1cnn(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	12395470	MGFOVIPYYDQFJL-UHFFFAOYSA-N	301.180	2.498	5	40	DEBB	
CN(C)c1ncccc1C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	71857398	WIEYHBOSOWUTGH-UHFFFAOYSA-N	304.281	2.447	5	40	DEBB	
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](c2cn[nH]c2)C1	97052611	USNPTTMQURTVBU-JTQLQIEISA-N	316.317	2.043	5	40	DEBB	
CC(C)c1cc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])on1	195555684	LQLFKGMOGRAERQ-UHFFFAOYSA-N	304.306	2.218	5	40	DEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C)n1C	5008006	DTNWQMHRHIVGGR-UHFFFAOYSA-N	321.362	2.071	5	40	DEBB	
O=c1[nH]c2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12	9644465	OLPCBSQOANAAKS-UHFFFAOYSA-N	307.269	2.146	5	40	DEBB	
COc1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])cn2C)c1	9479053	PUUFXUNZLUFBAN-UHFFFAOYSA-N	305.290	2.203	5	40	DEBB	
O=C1NC(=O)c2ccccc2/C1=C\c1ccc(O)c([N+](=O)[O-])c1	30058200	IYHSONWRZBKXSO-KPKJPENVSA-N	310.265	2.111	5	40	DEBB	
C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1	12590869	UBZZQWKOBBELCD-TXEJJXNPSA-N	307.350	2.033	5	40	DEBB	
Cc1nn(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-]	8327780	PEGNMKPLIJQDQB-OUJBWJOFSA-N	308.382	2.349	5	40	DEBB	
Cc1nnnn1-c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1	40516509	UAYYXCNCNLXVJN-UHFFFAOYSA-N	324.300	2.131	5	40	DEBB	
Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C)on2)c([N+](=O)[O-])n1	7166124	PCGMHDLSEUBVMQ-VIFPVBQESA-N	306.278	2.001	5	40	DEBB	
Cc1noc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1	71899698	RQACDABHTZCIST-UHFFFAOYSA-N	324.724	2.302	5	40	DEBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(Sc3ccccn3)cc21	98086281	SASATSXCYLHXCR-UHFFFAOYSA-N	316.342	2.331	5	40	DEBB	
O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1[N+](=O)[O-]	35964810	QPDZRMSKQSNCCF-UHFFFAOYSA-N	313.269	2.141	5	40	DEBB	
COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1	360220	MPEOZHVCSITNIW-UHFFFAOYSA-N	308.315	2.404	5	40	DEBB	
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C2CC2)[nH]n1	44913828	RNPGRIRWDZRERA-UHFFFAOYSA-N	300.318	2.468	5	40	DEBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCN2CCCC[C@@H]12	60722351	YXAKSGRPDJHZLU-HABDOHHLSA-N	315.373	2.351	5	40	DEBB	
O=C1C[C@@H](Nc2ncccc2[N+](=O)[O-])CN1Cc1ccccc1	69808460	ZVRQVUHHQJIURP-CYBMUJFWSA-N	312.329	2.203	5	40	DEBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)c1cccs1	96437192	OSKGXKRYMOWNEM-LBPRGKRZSA-N	306.343	2.049	5	40	DEBB	
O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1c1ccc([N+](=O)[O-])cc1	5307520	YDAXBJNPPTXUQQ-HNNXBMFYSA-N	323.308	2.488	5	40	DEBB	
CCOC(=O)C1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	5458129	QTDMDDAAWHJLOR-UHFFFAOYSA-N	320.345	2.319	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]1C	12692080	AWZKDCNWIIUGSG-IQJOONFLSA-N	322.317	2.130	5	40	DEBB	
COCCC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1	95425681	WZDFFRIMQDDNRL-UHFFFAOYSA-N	307.350	2.034	5	40	DEBB	
CN(C)c1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)c2ccccc2O1	59488783	HMDSPVCCBASSBD-INIZCTEOSA-N	313.313	2.482	5	40	DEBB	
CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	75128282	FXVJTUUZNKCSGL-LBPRGKRZSA-N	323.324	2.319	5	40	DEBB	
CCN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O	409094795	GHRDVEMNAGKTSS-WCIBSUBMSA-N	322.298	2.380	5	40	DEBB	
O=[N+]([O-])c1c(/C=C/c2ccc(F)cc2)nc2ncnn2c1O	8843026	BQCARELNEZZKET-ZZXKWVIFSA-N	301.237	2.048	5	40	DEBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@@H]1O	72301316	OEUVFQSHXHUZOE-MJVIPROJSA-N	324.402	2.353	5	40	DEBB	
O=C(CCNC(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1	12981069	AFSHRQZBZPYKDJ-UHFFFAOYSA-N	319.342	2.415	5	40	DEBB	
O=C(Nc1ccncc1[N+](=O)[O-])c1cc2ccccc2oc1=O	67169705	DINQVPFGFUYDRB-UHFFFAOYSA-N	311.253	2.349	5	40	DEBB	
CCOC(=O)COc1c(C)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	16682814	VPPGTUBPQLESRV-UHFFFAOYSA-N	312.278	2.370	5	40	DEBB	
COc1ncc(Br)c(/C=C/N(C)C)c1[N+](=O)[O-]	90555753	BNKMXMCVPWPRMR-SNAWJCMRSA-N	302.128	2.293	5	40	DEBB	in-vitro
Cc1ccoc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	8746874	DVVDKQPBOBCJGJ-UHFFFAOYSA-N	315.329	2.459	5	40	DEBB	
CC[C@H](CSC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	181618982	YJRAMVQRSKHDGQ-SECBINFHSA-N	304.393	2.015	5	40	DEBB	
CCSCCn1cc(Br)cc([N+](=O)[O-])c1=O	96488993	UAFVWGHQUOTLHU-UHFFFAOYSA-N	307.169	2.272	5	40	DEBB	
O=C1c2ccccc2C(=O)N1CSc1ccc([N+](=O)[O-])cn1	33794379	MJXOWWHGWTUAKN-UHFFFAOYSA-N	315.310	2.336	5	40	DEBB	
O=C(Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1	55359025	RGKVLUJQMWDCLQ-UHFFFAOYSA-N	310.107	2.437	5	40	DEBB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-]	7305406	SVUWFUSDRFJGGI-UHFFFAOYSA-N	310.331	2.317	5	40	DEBB	
Cc1ccnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C2CC2)n1	95986975	NIVWOCOWLFZPGW-LBPRGKRZSA-N	302.290	2.167	5	40	DEBB	
O=C(O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	13091801	XGTISFCNHNUSCZ-UHFFFAOYSA-N	300.270	2.223	5	40	DEBB	
Cc1ccccc1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	5251549	JBPRCCQKCUBCMH-UHFFFAOYSA-N	313.313	2.158	5	40	DEBB	
Cc1cccc(-n2nc([N+](=O)[O-])c(NC3CCCC3)[n+]2[O-])c1	4922537	AKWZNTVHGVAYDV-UHFFFAOYSA-N	303.322	2.077	5	40	DEBB	
COc1ccccc1OCCNC(=O)c1ccccc1[N+](=O)[O-]	18075341	VYQRZGAOLKQXDS-UHFFFAOYSA-N	316.313	2.412	5	40	DEBB	
Cc1cc(NC(=O)N[C@@H]2CCCn3ncnc32)ccc1[N+](=O)[O-]	97163029	JIAHDSAASHPZRI-LLVKDONJSA-N	316.321	2.151	5	40	DEBB	
O=C(NCc1cc(Cl)ccc1OC(F)F)[C@@H]1C[C@H]1[N+](=O)[O-]	73363932	ICEKLILMAGKKKN-RKDXNWHRSA-N	320.679	2.223	5	40	DEBB	
COc1ccc([C@H](CO)Nc2ccc([N+](=O)[O-])c(C)n2)cc1	95414941	WRBOPQMLWQBGPW-ZDUSSCGKSA-N	303.318	2.452	5	40	DEBB	
CCCCOC[C@@H](O)C[N+]1(Cc2ccccc2)CCOCC1	17270613	OAEQMBZAPBHBGH-SFHVURJKSA-N	308.442	2.211	5	40	DEBB	
NC(=O)C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl	97082824	VZVUIUNKPAYWIS-NSHDSACASA-N	311.769	2.478	5	40	DEBB	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	4806515	SHYQJOLAKCOEJA-APPZFPTMSA-N	312.709	2.386	5	40	DEBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C)n1	24472928	VHFDZTGKFOPMRN-UHFFFAOYSA-N	317.349	2.427	5	40	DEBB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1	522954	QSHKTBDMMZWCKB-ZDUSSCGKSA-N	319.317	2.174	5	40	DEBB	
C[C@@H](NC(=O)CCCn1cc([N+](=O)[O-])cn1)c1ccccc1	1432132	SJXIOCZFEUCUKL-GFCCVEGCSA-N	302.334	2.449	5	40	DEBB	
C[C@H]1[C@H](C)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	108386034	TVXITAAWKGWQBE-NEPJUHHUSA-N	312.391	2.197	5	40	DEBB	
Nc1nc(N2CCCC2)nc(Nc2ccccc2)c1[N+](=O)[O-]	4306299	MTQSYQLOQCUZHH-UHFFFAOYSA-N	300.322	2.311	5	40	DEBB	
Cc1noc(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C	119681715	UXAPPMGNTQBSKH-UHFFFAOYSA-N	311.319	2.309	5	40	DEBB	
COCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[C@@H](C)C1	225391984	OUBAZAYDSCABNL-VXGBXAGGSA-N	321.377	2.454	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)N1c2ccccc2CC[C@@H]1C	193877300	ZXGPFKBFNGNXAQ-NSHDSACASA-N	314.345	2.468	5	40	DEBB	
Cc1nc(C)c(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)s1	96424794	YHXJKDHAZAUNNV-UHFFFAOYSA-N	317.326	2.464	5	40	DEBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC1CC1	15207779	QWISZJVDHGATGZ-UHFFFAOYSA-N	310.253	2.463	5	40	DEBB	
CC(C)CCNC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2	24476962	BSVSGEQMXKUBKC-ONEGZZNKSA-N	306.318	2.499	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)NCc1cccs1	2788037	CCLHUWJHLUHUMC-VIFPVBQESA-N	308.363	2.114	5	40	DEBB	
CC1(C)NC(=O)N(CCSCc2ccc([N+](=O)[O-])cc2)C1=O	69893481	CPLOYXXTUAGSKO-UHFFFAOYSA-N	323.374	2.158	5	40	DEBB	
Cc1cc([C@@](C)(O)CNc2c([N+](=O)[O-])c(C)nn2C)c(C)o1	76063433	YADAGDYRNCJXHV-AWEZNQCLSA-N	308.338	2.166	5	40	DEBB	
O=C(O)NC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCCCO1	5028885	JLIXNCAKHUTJPR-GFCCVEGCSA-N	324.289	2.046	5	40	DEBB	
COC(=O)c1cc(I)c(C)c([N+](=O)[O-])c1	14983140	NSIQIHFMBPIMJT-UHFFFAOYSA-N	321.070	2.294	5	40	DEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO	101193837	YIOXOEUETRIOJP-TXFQPVFDSA-N	305.334	2.123	5	40	DEBB	
CC(C)(C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21	57880952	TZMYVPSTXMEUPY-UHFFFAOYSA-N	321.333	2.198	5	40	DEBB	
CCn1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)cn1	97046253	UBQXIVLOHMTFAJ-UHFFFAOYSA-N	310.697	2.423	5	40	DEBB	
COc1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	224744738	VQJKAZBTYALZSA-UHFFFAOYSA-N	322.342	2.429	5	40	DEBB	
C[C@H](Nc1ncccc1[N+](=O)[O-])c1nnnn1-c1ccccc1	96406562	KJUUMSOXZYSNOG-JTQLQIEISA-N	311.305	2.139	5	40	DEBB	
CNc1ccc(C(=O)OCCn2nc(C)cc2C)cc1[N+](=O)[O-]	42776733	YLVYOSQCCVTQNA-UHFFFAOYSA-N	318.333	2.307	5	40	DEBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCCC1	15208917	CTCNGMCWIFLYRK-UHFFFAOYSA-N	313.379	2.377	5	40	DEBB	
Nc1nc(COC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc12	18321352	NSDXTAZHOBASDD-UHFFFAOYSA-N	324.296	2.477	5	40	DEBB	
O=[N+]([O-])c1ncn(-c2nc(-c3cccnc3)nc3ccccc23)n1	72310937	NRCDMRDZKOAYID-UHFFFAOYSA-N	319.284	2.181	5	40	DEBB	
Cn1cnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)n1	97140547	UCABMOMTEXHQRK-UHFFFAOYSA-N	313.273	2.236	5	40	DEBB	
C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccco1	14227386	YQMDXTLEKOLAGP-QMMMGPOBSA-N	304.258	2.408	5	40	DEBB	
CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1	5488849	BHRNBDYTTCSPHR-SNVBAGLBSA-N	308.386	2.414	5	40	DEBB	
CC(C)C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1	73134404	HJPSRIVIXXMFPM-GFCCVEGCSA-N	308.334	2.188	5	40	DEBB	
O=[N+]([O-])c1ccc2oc(CSCCN3CCOCC3)nc2c1	95446231	AWBQECNQLSKMLN-UHFFFAOYSA-N	323.374	2.301	5	40	DEBB	
Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1[N+](=O)[O-]	40536311	MZOMRFAYVMOLCL-ZDUSSCGKSA-N	321.377	2.136	5	40	DEBB	
O=Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1728599	GCGXXWIARAGAOK-UHFFFAOYSA-N	307.283	2.175	5	40	DEBB	
Cc1ccccc1N(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])cc1	3148752	NYQAUKQUVGMRGU-UHFFFAOYSA-N	313.313	2.035	5	40	DEBB	
CCN1CCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1	58162673	SAAKCPIOWCPBTK-GFCCVEGCSA-N	306.366	2.448	5	40	DEBB	
O=[N+]([O-])c1cnccc1N1CCO[C@H](c2cccc(O)c2)C1	89601795	SNPQSNQDEFXDST-HNNXBMFYSA-N	301.302	2.273	5	40	DEBB	
Nc1c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc(F)cc1[N+](=O)[O-]	69537498	RVJONCLQVJGRFG-AAEUAGOBSA-N	323.324	2.100	5	40	DEBB	
CSC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1	96412908	CEWJHQKOCFIKSH-JTQLQIEISA-N	305.363	2.483	5	40	DEBB	
Cn1cnnc1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	95351536	FYUIKYFPZZSQKZ-UHFFFAOYSA-N	301.350	2.103	5	40	DEBB	
CCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C	4070230	LAUTTXCDFOAGCU-ZDUSSCGKSA-N	319.317	2.128	5	40	DEBB	
Cc1noc(C)c1CC(=O)N(C)Cc1cccc([N+](=O)[O-])c1	40082704	CBDSXEKWGDYNIS-UHFFFAOYSA-N	303.318	2.401	5	40	DEBB	
C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H]2CC[C@H]1C2	102596334	YKJSYULAWIYHAE-ZJQBRPOHSA-N	306.366	2.122	5	40	DEBB	
Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1	3894949	RPKSZDXLCJACOO-UHFFFAOYSA-N	302.246	2.338	5	40	DEBB	
C[C@H](C[S@](C)=O)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	97107410	JLUHKUJSODMWKN-JLPJYYFKSA-N	319.770	2.137	5	40	DEBB	
CC1(C)C[C@]2(C)C[C@H]1C[C@@H]2NC(=O)CC[N+]1(C)CCOCC1	5003744	VQORVKOBAJQQRB-VKJFTORMSA-O	309.474	2.184	5	40	DEBB	
Cc1nc([N+](=O)[O-])c(NC[C@@H](O)c2ccc(Cl)cc2)n1C	103278276	OVQVTQZQMTUEPW-LLVKDONJSA-N	310.741	2.436	5	40	DEBB	
O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cn2ccccc2n1	78824090	ZNKWHHKENZFYMU-UHFFFAOYSA-N	304.693	2.106	5	40	DEBB	
O=C1CCCC(=O)C1[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc12	104843699	IHMRIJCJVADRGK-GFCCVEGCSA-N	300.314	2.467	5	40	DEBB	
CCOc1ccc(OCCn2cc([N+](=O)[O-])ccc2=O)cc1	13002687	QQQLARMTUOSRNF-UHFFFAOYSA-N	304.302	2.234	5	40	DEBB	
COc1cc(N2CCC[C@H](CCC(N)=O)C2)ccc1[N+](=O)[O-]	83923727	CXQQKZMLUOCHMD-LLVKDONJSA-N	307.350	2.085	5	40	DEBB	
COc1ccc(C2=NN(c3ccncc3[N+](=O)[O-])C(=O)C2)cc1	16216452	KSFKXYJXDWSONC-UHFFFAOYSA-N	312.285	2.139	5	40	DEBB	
C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccco1	32739484	SHBZJNUYRSZXOO-VIFPVBQESA-N	318.285	2.450	5	40	DEBB	
Cc1cc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)no1	27349549	CYAKMTURGICSSY-UHFFFAOYSA-N	305.294	2.125	5	40	DEBB	
CNc1ccc(C(=O)Nc2cc(C3CC3)n[nH]2)cc1[N+](=O)[O-]	58282651	UKMCOWRXTRDENM-UHFFFAOYSA-N	301.306	2.489	5	40	DEBB	
CCCN(CCO)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	69415375	XXZWJSUQLSFOGY-UHFFFAOYSA-N	301.730	2.484	5	40	DEBB	
O=[N+]([O-])c1cc([C@@H]2SC=C3Sc4nncn4N32)ccc1O	20724602	HRQATMHSIRDWIA-JTQLQIEISA-N	321.343	2.180	5	40	DEBB	
COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)n1	89537017	OJZKRCLRWSHPBR-UHFFFAOYSA-N	301.302	2.488	5	40	DEBB	
COc1cc(NC[C@@H](C)N2CCOC[C@H]2C)ccc1[N+](=O)[O-]	245339318	RXVFZBXBBXPFKQ-VXGBXAGGSA-N	309.366	2.125	5	40	DEBB	
NC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	1904375	LCTPKHGGPWPLPJ-RUDMXATFSA-N	311.297	2.346	5	40	DEBB	
Cc1noc(C)c1CCCNC(=O)c1cccc([N+](=O)[O-])c1O	89529220	DSHKXNCYUWOPQZ-UHFFFAOYSA-N	319.317	2.268	5	40	DEBB	
CCN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1	226316794	OOWRXNOAAZRBHN-UHFFFAOYSA-N	314.183	2.499	5	40	DEBB	
Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3ccccc32)cc1	45613	VTZFQICGFIQGLW-UHFFFAOYSA-N	317.348	2.498	5	40	DEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O	4014052	BKZYZXFXIRDDPA-UHFFFAOYSA-N	303.230	2.461	5	40	DEBB	
Cn1c(-c2ccccc2)c(N)c(=O)n1-c1ccc([N+](=O)[O-])cc1	222553090	PQXVTZYJKRLXTG-UHFFFAOYSA-N	310.313	2.333	5	40	DEBB	
O=C(NC1CC1)[C@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-]	97104444	NWUREEABSLIKAZ-GFCCVEGCSA-N	309.753	2.496	5	40	DEBB	
COc1ccc([C@@H](CO)Nc2ccc([N+](=O)[O-])c(C)n2)cc1	95414942	WRBOPQMLWQBGPW-CYBMUJFWSA-N	303.318	2.452	5	40	DEBB	
CC(=O)CC[C@H](CCC[C@H](CCC(C)=O)[N+](=O)[O-])[N+](=O)[O-]	17158099	UFIRUAZYPUGOBZ-BETUJISGSA-N	302.327	2.186	5	40	DEBB	
NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	40556350	AVXVVFIDWYIRFA-UHFFFAOYSA-N	317.267	2.315	5	40	DEBB	
O=[N+]([O-])C[C@H](CS(=O)(=O)Oc1ccccc1)c1ccccc1	3200217	GMCKUTGITJZYSV-CQSZACIVSA-N	321.354	2.456	5	40	DEBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c([N+](=O)[O-])c1	100179688	BXVIFRVMCZKCFS-NWOLRWQLSA-N	324.336	2.461	5	40	DEBB	
O=C(O)CCN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O	2340385	WKKUYXSYAFTMON-YFHOEESVSA-N	322.298	2.106	5	40	DEBB	
COc1ccccc1Oc1cc(-n2cnnn2)cc([N+](=O)[O-])c1	12371784	SMZNINPZDHVJGR-UHFFFAOYSA-N	313.273	2.371	5	40	DEBB	
O=C(NCc1ccnc(OC2CCC2)c1)c1ccc([N+](=O)[O-])o1	90013725	VEWSXEFSCPQTBT-UHFFFAOYSA-N	317.301	2.444	5	40	DEBB	
Cc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1N	5260207	YQDJGWUVXNVEEE-UHFFFAOYSA-N	307.331	2.286	5	40	DEBB	
Cc1nn(C)c(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1[N+](=O)[O-]	101988348	YDFMWYMVTGEARZ-HJQYOEGKSA-N	306.366	2.191	5	40	DEBB	
Cc1noc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)n1	54661641	UANMNOPXIUNYSH-GFCCVEGCSA-N	316.317	2.306	5	40	DEBB	
Cc1cc(C(=O)OCC(=O)N2CCCCC2)ccc1[N+](=O)[O-]	3238148	FWNBMWSZIXEWQK-UHFFFAOYSA-N	306.318	2.073	5	40	DEBB	
NC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	3410555	HITVITRXYCIWOT-UHFFFAOYSA-N	302.242	2.215	5	40	DEBB	
Cc1ccc(O)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	48231534	YBIINCDJUNYQPE-UHFFFAOYSA-N	308.315	2.410	5	40	DEBB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	42028	KJWRCLGUELYADF-CYBMUJFWSA-N	319.317	2.174	5	40	DEBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(C)CC1	23110406	VSHIWVLRKDMBTQ-NSHDSACASA-N	323.418	2.286	5	40	DEBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1CCCC[C@@H]1C	104651648	KNFAPERNFZWXIB-GARJFASQSA-N	324.333	2.428	5	40	DEBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(F)c(F)c1	2625870	AYBNKBFETGFDEN-UHFFFAOYSA-N	309.228	2.286	5	40	DEBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2C=CCCC2)CC1	77359394	CXJODWKPFGMRMJ-HNNXBMFYSA-N	315.373	2.461	5	40	DEBB	
O=[N+]([O-])c1cccc(OCCN(C[C@H]2CCOC2)C2CC2)c1	46091781	BCSSLNFMHHFSPG-CYBMUJFWSA-N	306.362	2.475	5	40	DEBB	
c1ccc(CCn2c3ccccc3c3nn4nnnc4nc32)cc1	2745820	CZSPJCYKDCXNLQ-UHFFFAOYSA-N	315.340	2.265	5	40	DEBB	
CCOc1cccc(N[C@H]2CCc3nc(C)nn3C2)c1[N+](=O)[O-]	97140689	FAFRNADFNOQDQJ-NSHDSACASA-N	317.349	2.320	5	40	DEBB	
COc1ccc(O[C@H](C)C(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1	9690336	YZGBBGYJVIQFBW-SECBINFHSA-N	321.289	2.306	5	40	DEBB	
O=C1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CN1CC(F)(F)F	75142982	VLDSBFWLVBLGOR-VIFPVBQESA-N	303.240	2.170	5	40	DEBB	
C[C@H]1CN(C[C@H]2CCCN2c2ncccc2[N+](=O)[O-])C[C@@H](C)O1	195570834	DOKPVWFTFVGPBY-HZSPNIEDSA-N	320.393	2.068	5	40	DEBB	
CNc1snc(C)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1	65123985	HKQDKLALZIAKDI-UHFFFAOYSA-N	320.374	2.374	5	40	DEBB	
CCc1n[nH]c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1	11711171	DAAXQSNLZKQUQW-UHFFFAOYSA-N	321.362	2.315	5	40	DEBB	
Cc1cnc(NCC2(N3CCCC3)CCOCC2)c([N+](=O)[O-])c1	78660003	ZBPCVRHGHQTFRT-UHFFFAOYSA-N	320.393	2.355	5	40	DEBB	
CCOC(=O)c1nc(C)n(-c2ccc(Cl)cc2[N+](=O)[O-])n1	4090559	ZXUXFTSICIGBRR-UHFFFAOYSA-N	310.697	2.314	5	40	DEBB	
Cc1nn(CC(=O)NCCCc2ccccc2)c(C)c1[N+](=O)[O-]	2637529	RDUPFRRDUSZSTB-UHFFFAOYSA-N	316.361	2.157	5	40	DEBB	
CN1CCC(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1	102640912	XOXAFAHBSDMNHW-QPJJXVBHSA-N	317.389	2.456	5	40	DEBB	
Cc1ccc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)nn(C)c2n1	96194569	BSZIKOTTXAPZPB-UHFFFAOYSA-N	311.301	2.437	5	40	DEBB	
COc1cc(CNCc2cccnc2)c([N+](=O)[O-])cc1OC	69561589	GEOMLYTWPHVCEJ-UHFFFAOYSA-N	303.318	2.297	5	40	DEBB	
O=C(C1CC1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	18042676	HSFQWELRDKLMRU-UHFFFAOYSA-N	309.753	2.307	5	40	DEBB	
O=C(O)COc1c(Br)cc(Cl)cc1[N+](=O)[O-]	37288556	CCQAVRGEULKWKE-UHFFFAOYSA-N	310.487	2.474	5	40	DEBB	
CC[N+]1(C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CCOCC1	5447319	LDHSDHWSXOQHLI-BBWFWOEESA-N	314.490	2.446	5	40	DEBB	
CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1	6514636	SJCCKUWOXABENF-UHFFFAOYSA-N	317.267	2.282	5	40	DEBB	
O=C1NCCCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12	68320500	WYYSOPDDNIZXGB-CYBMUJFWSA-N	300.318	2.224	5	40	DEBB	
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccccc1	69513199	DZQHGLIOIBJDPD-UHFFFAOYSA-N	323.312	2.492	5	40	DEBB	
O=C1N/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1Cc1ccccc1	409243781	YMRKMYFXJBOCEV-XYOKQWHBSA-N	313.269	2.281	5	40	DEBB	
O=[N+]([O-])c1cn(CCO[C@H]2CCCCO2)nc1C(F)(F)F	225639996	JAFUOBDMROQPGO-VIFPVBQESA-N	309.244	2.353	5	40	DEBB	
CCONC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	24663814	NWWHGZJKFNUCEP-ZFWWWQNUSA-N	319.361	2.194	5	40	DEBB	
O=C(N[C@@H]1CCSC1=O)c1ccc(Cl)cc1[N+](=O)[O-]	304023	YENJNDNICGYHFU-MRVPVSSYSA-N	300.723	2.010	5	40	DEBB	
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1NC1CCCCC1	4971317	VTSRHWGUJVWOKU-UHFFFAOYSA-N	303.322	2.159	5	40	DEBB	
COc1ccccc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	3265637	ZNIXLGUDFBTMTH-AWEZNQCLSA-N	316.313	2.067	5	40	DEBB	
Cc1nnc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C(C)(C)C)o1	95449752	NKWKBLWNAPOUNG-UHFFFAOYSA-N	308.294	2.320	5	40	DEBB	
Cc1nc(NCc2nc(-c3ccccn3)no2)ccc1[N+](=O)[O-]	95414924	PPRSSEGGLFFDKT-UHFFFAOYSA-N	312.289	2.355	5	40	DEBB	
COC(=O)c1c2c([n+]([O-])c(-c3ccccc3)c1[N+](=O)[O-])CCC2	4860911	HATFFOWDSXVTOR-UHFFFAOYSA-N	314.297	2.171	5	40	DEBB	
NC(=O)COc1cc(O)c2c(=O)c3cc(Cl)ccc3oc2c1	5347659	GZCXJDLTZIDGFO-UHFFFAOYSA-N	319.700	2.169	5	40	DEBB	
Cc1ncsc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1	66650312	RNDMPZAZVZBNKD-UHFFFAOYSA-N	307.331	2.338	5	40	DEBB	
CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1	67800812	FBDBOJSDDWQIBC-LLVKDONJSA-N	309.322	2.378	5	40	DEBB	
COc1ccccc1O[C@H](C)CNc1c([N+](=O)[O-])ncn1C	78503564	UGIWPZQTTRHKMX-SNVBAGLBSA-N	306.322	2.216	5	40	DEBB	
Cc1cnc(N(CCN(C)C)Cc2ccco2)c([N+](=O)[O-])c1	96469366	LWSXMLRMYNLFJM-UHFFFAOYSA-N	304.350	2.459	5	40	DEBB	
CCOc1cccc(N2CC[C@@H](N3CC=CC3)C2)c1[N+](=O)[O-]	102223681	IJDJGKWIYCSNNY-CYBMUJFWSA-N	303.362	2.444	5	40	DEBB	
Cc1cc(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n[nH]1	89599086	SKGDYRZZDXUNSU-UHFFFAOYSA-N	314.345	2.360	5	40	DEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCC(C(=O)O)CC1	9576188	PJGKPYCPWXAOSU-UHFFFAOYSA-N	320.345	2.145	5	40	DEBB	
O=C(NC1CCCCC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	2767418	SEKCKOJWJKKNHJ-UHFFFAOYSA-N	318.333	2.495	5	40	DEBB	
Cc1cc(NC(=O)[C@H](C)Oc2cc(F)ccc2[N+](=O)[O-])no1	9691852	HKFFICUQIHHFGO-QMMMGPOBSA-N	309.253	2.436	5	40	DEBB	
O=C(Nc1cccnc1)c1cc2c(cc1[N+](=O)[O-])OCCO2	15826676	GXMSAZKFAUQTTJ-UHFFFAOYSA-N	301.258	2.013	5	40	DEBB	
O=C(NC[C@H](O)c1ccncc1)c1ccc([N+](=O)[O-])c(Cl)c1	97162561	SAYLRUGLARRUII-ZDUSSCGKSA-N	321.720	2.107	5	40	DEBB	
Cc1n[nH]c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1	11657769	CAPBWOHSWJKSKU-UHFFFAOYSA-N	307.335	2.061	5	40	DEBB	
CCOc1ccc([C@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])cc1OC	78715	JUDGHKQSAMTXDZ-CYBMUJFWSA-N	321.333	2.298	5	40	DEBB	
CN(CCc1ccncc1)C(=O)Nc1ccncc1[N+](=O)[O-]	97080983	GPVNZLUKGYFLHP-UHFFFAOYSA-N	301.306	2.091	5	40	DEBB	
CC[C@H]1CN(C(=O)Cn2ccc3c([N+](=O)[O-])cccc32)CCO1	72302048	HEZVNSSPVSRNJS-LBPRGKRZSA-N	317.345	2.187	5	40	DEBB	
C[C@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1	95422656	RBLBMKCWTJCNJZ-BLLLJJGKSA-N	317.393	2.282	5	40	DEBB	
O=[N+]([O-])c1ccnc2c1ccn2S(=O)(=O)c1ccccc1	96321144	ITDHIOPIUNVEAA-UHFFFAOYSA-N	303.299	2.182	5	40	DEBB	
CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	96487407	WYXFOVNRPRWGQZ-PELKAZGASA-N	300.742	2.385	5	40	DEBB	
O=C(O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1O	12021373	CFGQTKORONNRBO-UHFFFAOYSA-N	302.242	2.251	5	40	DEBB	
Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-]	24997490	ZSOPOGBZAONHAP-ZDUSSCGKSA-N	314.345	2.444	5	40	DEBB	
C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1	58364417	RZSKPYUUAPLEOA-RYUDHWBXSA-N	317.345	2.185	5	40	DEBB	
CCC(CC)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N(C)C	24205096	YLFWFGIHOPCANO-OAHLLOKOSA-N	322.409	2.472	5	40	DEBB	
Cc1cnc(N2CCN(Cc3ccco3)CC2)c([N+](=O)[O-])c1	95403355	DOMMEOMQFWDNNR-UHFFFAOYSA-N	302.334	2.213	5	40	DEBB	
CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	69529622	HVOPPPVRWWSDMX-HNNXBMFYSA-N	305.378	2.080	5	40	DEBB	
Cc1cc(C)c(NC(=O)CSc2nc(C)n[nH]2)c([N+](=O)[O-])c1	4698518	AUSJXSLZFQRMQZ-UHFFFAOYSA-N	321.362	2.369	5	40	DEBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1	5060401	ZABXJRVFUMHSDN-UWVGGRQHSA-N	309.322	2.245	5	40	DEBB	
O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	4012052	GSDBCHAEOYYDKA-ZFWZSOMGSA-N	302.286	2.056	5	40	DEBB	
O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCO2	8427927	WZTDCXBDTJONFQ-UHFFFAOYSA-N	315.285	2.374	5	40	DEBB	
Cc1c(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)cnn1C	97086502	HWKZFROPQVCQAF-UHFFFAOYSA-N	318.333	2.060	5	40	DEBB	
CN(Cc1nccn1C(F)F)C(=O)c1cccc([N+](=O)[O-])c1	29181234	HPWVAAZHFOIGAS-UHFFFAOYSA-N	310.260	2.459	5	40	DEBB	
O=C(O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1Br	28167308	NBVNSSCQJDEZBF-UHFFFAOYSA-N	317.095	2.161	5	40	DEBB	
CCOC(=O)C(C(=O)OCC)c1cc(C)c(F)cc1[N+](=O)[O-]	63110908	KSDRMZDNRDAPQV-UHFFFAOYSA-N	313.281	2.252	5	40	DEBB	
COCCNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(C)cc2)n1	4305894	KKTIRMNZEHZKQW-UHFFFAOYSA-N	318.337	2.077	5	40	DEBB	
Cc1c(F)cc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-]	67863264	QPTPQLFKXZMJIB-NSHDSACASA-N	307.325	2.009	5	40	DEBB	
C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[S@@](C)=O	97162545	JQLVUAKLERGENA-SQFXPLBJSA-N	318.782	2.135	5	40	DEBB	
COCCN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O	409146810	LAGRZXQQEZYKCP-DHZHZOJOSA-N	308.315	2.278	5	40	DEBB	
O=[N+]([O-])c1cccnc1NC[C@@H](CO)Cc1ccncc1Cl	521398683	ZCFCTANTQYKEQB-JTQLQIEISA-N	322.752	2.301	5	40	DEBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)NCCc1ccncc1	96118763	RQUFAGXKYJVGHY-UHFFFAOYSA-N	324.340	2.303	5	40	DEBB	
O=C(N[C@H]1CCc2[nH]ncc2C1)c1ccc([N+](=O)[O-])c(Cl)c1	97162503	IPHMYEBKKSPWLS-JTQLQIEISA-N	320.736	2.259	5	40	DEBB	
Cc1n[nH]c(SCC(=O)NCCc2ccccc2)c1[N+](=O)[O-]	15973612	JYMUGAFFQQIMQG-UHFFFAOYSA-N	320.374	2.077	5	40	DEBB	
Cc1nc(C)c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)o1	89421340	NMMAWKGYUZSTHQ-UHFFFAOYSA-N	301.262	2.328	5	40	DEBB	
Cc1cc(OCn2nnc3ccccc3c2=O)ccc1[N+](=O)[O-]	8252219	CCRJQRIUDVXSLD-UHFFFAOYSA-N	312.285	2.045	5	40	DEBB	
CN(C)C(C)(C)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	95441570	HXERNKDLJFAURL-UHFFFAOYSA-N	320.393	2.003	5	40	DEBB	
Cc1c(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cccc1[N+](=O)[O-]	46162492	XHVDVJBWOGAGKW-LLVKDONJSA-N	305.334	2.099	5	40	DEBB	
CCC(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C	487969	IYLGHADHMXBYGO-CYBMUJFWSA-N	306.382	2.467	5	40	DEBB	biogenic
O=C(CCOc1ccccc1[N+](=O)[O-])NCCc1ccco1	55010131	DLZXQEWWFQHPMC-UHFFFAOYSA-N	304.302	2.316	5	40	DEBB	
CCCCCNC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	25704506	QXNQBNCWJOWAEC-UHFFFAOYSA-N	321.377	2.351	5	40	DEBB	
O=[N+]([O-])c1cccc(OCCN(C[C@@H]2CCOC2)C2CC2)c1	46091780	BCSSLNFMHHFSPG-ZDUSSCGKSA-N	306.362	2.475	5	40	DEBB	
CN(C)C(=S)SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	3375301	ZXJAYXZKQKLTLJ-UHFFFAOYSA-N	317.367	2.252	5	40	DEBB	
C[C@@H](Cc1cccs1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N	97114146	NXBAZSYODVVSBB-VIFPVBQESA-N	320.374	2.337	5	40	DEBB	
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1cnn(C)c1	24947788	IIVMWJVMWRHFNS-VOTSOKGWSA-N	300.318	2.000	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2nc3ccccc3[nH]2)c1	5214514	AZKPYMWJBZXZDF-UHFFFAOYSA-N	319.298	2.239	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1)C31CC1	100033907	FOISCOGVUGBTCW-XDQVBPFNSA-N	310.309	2.296	5	40	DEBB	
O=[N+]([O-])c1ccc([C@@H](O)CNc2ncccc2[N+](=O)[O-])cc1	21363832	GWUSQXINPDIDSS-LBPRGKRZSA-N	304.262	2.044	5	40	DEBB	
Cc1cc(NC[C@@](C)(O)CN(C)C)c2cc([N+](=O)[O-])ccc2n1	96008540	LFRUPRBJEKWIJT-MRXNPFEDSA-N	318.377	2.176	5	40	DEBB	
CS(=O)(=O)c1ccc(CCNc2ccncc2[N+](=O)[O-])cc1	96429682	ITQTYLFWPZOPAV-UHFFFAOYSA-N	321.358	2.048	5	40	DEBB	
Cc1ccnc(N2CC[C@H](Oc3ccncc3)C2)c1[N+](=O)[O-]	96468229	BSIMLYKVMTUBCT-ZDUSSCGKSA-N	300.318	2.351	5	40	DEBB	
CN(Cc1ccc([S@](C)=O)cc1)c1ccncc1[N+](=O)[O-]	96453928	XKCARNGKRABJOJ-OAQYLSRUSA-N	305.359	2.364	5	40	DEBB	
CCCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1	75110693	FWWAPGXYOCVQHT-UHFFFAOYSA-N	324.362	2.380	5	40	DEBB	
COc1cc(NC(=O)COC(=O)[C@H]2C[C@H]2C)c(C)cc1[N+](=O)[O-]	4863578	MBRFPNBXBTUSRI-SCZZXKLOSA-N	322.317	2.050	5	40	DEBB	
CCOC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1	96007167	WUNYGZUYPHMAAO-ZFWWWQNUSA-N	322.361	2.043	5	40	DEBB	
Cc1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-]	102022540	XYJSDOXPNUCXNL-AWEZNQCLSA-N	316.361	2.381	5	40	DEBB	
O=[N+]([O-])c1cnc(NCC2=COCCO2)c(Br)c1	95407615	WGYHVRDLCFJJBQ-UHFFFAOYSA-N	316.111	2.052	5	40	DEBB	
COC(=O)c1cnc(N(C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1	521395300	YOFDHJMKWBKGEH-SNVBAGLBSA-N	316.317	2.369	5	40	DEBB	
C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCc2ccccc21	96492500	JZVYPKFVJGLJLE-MRXNPFEDSA-N	314.345	2.342	5	40	DEBB	
Cc1ccc(S(=O)(=O)Nc2ccncc2C)c([N+](=O)[O-])c1	72281372	PFKIWVAGHIGKNA-UHFFFAOYSA-N	307.331	2.407	5	40	DEBB	
CCS(=O)(=O)[C@](C)(Cl)[C@H](O)c1cccc([N+](=O)[O-])c1	96520414	GQRFHNPRJYWKOG-MNOVXSKESA-N	307.755	2.018	5	40	DEBB	
CN(C)c1ccc(CCCNc2c([N+](=O)[O-])ncn2C)cc1	32825036	YCURFUWTBJPVNP-UHFFFAOYSA-N	303.366	2.439	5	40	DEBB	
Cc1nn(C)c(NC[C@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-]	75134701	VWDMTIXYKMLZGF-CYBMUJFWSA-N	321.356	2.491	5	40	DEBB	
Cc1ncc([N+](=O)[O-])n1CCNC(=O)OCc1ccccc1	20030975	CKCYWIZZIVNXNV-UHFFFAOYSA-N	304.306	2.026	5	40	DEBB	
Cc1nn(CC(=O)Nc2ccc(N(C)C)cc2)c(C)c1[N+](=O)[O-]	204914	MCDUCNHLDFBGMN-UHFFFAOYSA-N	317.349	2.113	5	40	DEBB	
CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1	95957545	QCTPWHZLVYZDHN-OAHLLOKOSA-N	321.377	2.424	5	40	DEBB	
CCc1ccccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1	96418798	CFSGXPDYWVVCHZ-UHFFFAOYSA-N	302.334	2.060	5	40	DEBB	
O=[N+]([O-])c1ccccc1CSc1nnnn1C[C@H]1CCCO1	30346575	TUJPWUKESYADSX-LLVKDONJSA-N	321.362	2.053	5	40	DEBB	
Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2nc[nH]c2n1	8615505	BUJCBTLJYNRGFK-UHFFFAOYSA-N	302.319	2.136	5	40	DEBB	
CN(C)n1ccc2nc3ccn(C4CCCC4)c(=O)c3cc2c1=O	40398655	YWKTVCIWQWFXNW-UHFFFAOYSA-N	324.384	2.024	5	40	DEBB	
O=C1OCCN1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	20435732	FBJKNPPPVRZTTJ-UHFFFAOYSA-N	319.239	2.478	5	40	DEBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccn1	3433124	MWKCEHYAVPFJGD-UHFFFAOYSA-N	316.269	2.213	5	40	DEBB	
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccsc2)c1	247290908	AVZYDHOLDVPDTN-KGLIPLIRSA-N	322.390	2.051	5	40	DEBB	
COc1ccc(Cn2nc([N+](=O)[O-])nc2Br)cc1	59953423	MVXVOGCTPSBUFZ-UHFFFAOYSA-N	313.111	2.006	5	40	DEBB	
C[C@@H]1CCCN(c2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])C1	4660148	LYGOUTWKSRSRPB-MRVPVSSYSA-N	309.278	2.438	5	40	DEBB	
CCOC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@H](C)C1	68873484	MYEYCTIXSCBCHF-PHIMTYICSA-N	308.334	2.385	5	40	DEBB	
Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccn1	79029277	HZSOYIHUDWDMGX-UHFFFAOYSA-N	307.331	2.407	5	40	DEBB	
O=C(Nc1cn[nH]c1)c1ccc(Br)cc1[N+](=O)[O-]	79779444	HJHXGNYWCZIYMK-UHFFFAOYSA-N	311.095	2.333	5	40	DEBB	
COc1ccc(CN(C)c2c([N+](=O)[O-])nc(C)n2C)cc1F	58010362	GDXBRMFAKSKLHC-UHFFFAOYSA-N	308.313	2.421	5	40	DEBB	
CC[C@@H](NC(=O)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1	84734204	ITNVSSNJCPOJSP-OAHLLOKOSA-N	320.393	2.393	5	40	DEBB	
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)c1nnc2n1CCCCC2	72334110	PWQFROXSLPMFLZ-SNVBAGLBSA-N	304.354	2.221	5	40	DEBB	
CC(=O)c1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccco1	225816846	TZZCQNBQQHNRTH-UHFFFAOYSA-N	317.301	2.232	5	40	DEBB	
N[C@@H](CCCCNc1cc(Cl)ccc1[N+](=O)[O-])C(=O)O	5427231	QJYZLKYPUJELFS-VIFPVBQESA-N	301.730	2.242	5	40	DEBB	
Cc1n[nH]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1	11658735	DAXPDBJBNQBWOD-UHFFFAOYSA-N	308.319	2.180	5	40	DEBB	
CC[C@H]1CN(c2ncccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O	72310212	IQACYCUPYJIURQ-QWHCGFSZSA-N	306.366	2.216	5	40	DEBB	
Cc1nscc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	188531478	QINLAJBJEDWATI-UHFFFAOYSA-N	319.342	2.263	5	40	DEBB	
O=C(O)c1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	1593166	ODTKWYKXWAPCOC-UHFFFAOYSA-N	307.283	2.126	5	40	DEBB	
CCOC(=O)Nc1c([N+](=O)[O-])cc(C)c([N+](=O)[O-])c1[N+](=O)[O-]	96022910	FCLGIKUDZFAAAV-UHFFFAOYSA-N	314.210	2.288	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)C1	12660091	MILXGBDCCBAFPE-TXEJJXNPSA-N	320.345	2.256	5	40	DEBB	
Cn1nnnc1Sc1ccc(Br)cc1[N+](=O)[O-]	8040527	LMAAMEILEQGELO-UHFFFAOYSA-N	316.140	2.032	5	40	DEBB	
C[C@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1ccco1	97115232	LKLYPCLSVPFKRC-QMMMGPOBSA-N	311.319	2.008	5	40	DEBB	
CC[C@H](NC(=O)Cc1cc(C)[nH]n1)c1cccc([N+](=O)[O-])c1	95446729	IDKGCCLMGHLONM-AWEZNQCLSA-N	302.334	2.436	5	40	DEBB	
CNC(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1	58311556	SRWCQKJFWSHYBU-INIZCTEOSA-N	313.357	2.480	5	40	DEBB	
O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1	2501672	CQUGTZJEJQVMRF-MRXNPFEDSA-N	312.281	2.008	5	40	DEBB	
CC(C)(C)NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1	69973068	LTGQPUVPQFFWPV-UHFFFAOYSA-N	302.334	2.373	5	40	DEBB	
CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)O	72284587	AYSVVAFURQQINJ-UHFFFAOYSA-N	320.349	2.238	5	40	DEBB	
CCOc1cccc(N2CCN(C(C)C)C(=O)C2)c1[N+](=O)[O-]	97140844	GEMBDXRORONIGO-UHFFFAOYSA-N	307.350	2.051	5	40	DEBB	
CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1OC	5002962	WQIDWXWPOXVSDW-ZDUSSCGKSA-N	321.333	2.346	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	16383320	AYWZFTGIMWRJHE-NEBZKDRISA-N	312.325	2.292	5	40	DEBB	
NC(=O)[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	8428816	JUAQGUZMQFVZHI-JTQLQIEISA-N	317.267	2.458	5	40	DEBB	
CC(=O)N1CC[C@@H](CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)C1	92100734	BYZRGWRCXWSMEP-HNNXBMFYSA-N	305.378	2.203	5	40	DEBB	
CC(=O)OCCc1c(C)c2c(=O)[nH]c3ccccc3c2oc1=O	6666620	JYXZYEGEBVTEQA-UHFFFAOYSA-N	313.309	2.049	5	40	DEBB	
Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCCC2)ccc1[N+](=O)[O-]	5635562	ONEJCTSDURJMME-NSHDSACASA-N	306.318	2.071	5	40	DEBB	
C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1CCc2ccccc21	8428683	ZRHYEKZUPPZVDB-NSHDSACASA-N	313.313	2.346	5	40	DEBB	
Cc1noc([C@@H]2COCCN2Cc2ccc(C)c([N+](=O)[O-])c2)n1	188475233	AXOAQBKLADVXFK-AWEZNQCLSA-N	318.333	2.168	5	40	DEBB	
CCC1([N+](=O)[O-])COP(=O)(OC(=O)c2ccco2)OC1	1702945	CJJAQNAMHHBUEB-UHFFFAOYSA-N	305.179	2.017	5	40	DEBB	
Cc1c(C(N)=O)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12	4931134	CRNPYTWCWAZPJP-UHFFFAOYSA-N	302.315	2.378	5	40	DEBB	
CC(=O)[C@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	10734012	LIQCUGIVEKGHMT-NSHDSACASA-N	306.318	2.329	5	40	DEBB	
Cc1cncc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1	195576795	NLFSIYMKPOYLBR-UHFFFAOYSA-N	321.358	2.314	5	40	DEBB	
COc1cccc(F)c1[C@@H](C)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	96426704	UJWKVWSJCFNSRV-SSDOTTSWSA-N	322.296	2.265	5	40	DEBB	
CC1=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@H]2C1	100396942	BMSHSEAZTNOHBB-MNOVXSKESA-N	302.286	2.146	5	40	DEBB	
Cc1noc(C)c1NC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1	2732558	OVODWXVDBZVYSF-UHFFFAOYSA-N	313.701	2.078	5	40	DEBB	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]	6433076	QTANOLMAIJHXQZ-UHFFFAOYSA-N	302.352	2.024	5	40	DEBB	
CCOc1ccc([C@H](C)N[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-]	95982170	FUKPZKRVBGTFFG-WCQYABFASA-N	321.377	2.265	5	40	DEBB	
Cc1cccc([N+](=O)[O-])c1NC1=NS(=O)(=O)c2ccccc21	95481832	SVKNOQMVUOZEHS-UHFFFAOYSA-N	317.326	2.464	5	40	DEBB	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	97162357	KRLYDWWRZOIEBT-QMMMGPOBSA-N	320.353	2.069	5	40	DEBB	
COc1ncccc1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-]	40498490	KDOVSLXITVWEKH-CMDGGOBGSA-N	313.313	2.328	5	40	DEBB	
Cc1cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]n1	103599402	VVPHPMHSRRXLHO-UHFFFAOYSA-N	308.210	2.186	5	40	DEBB	
CCOc1cccc(N2CC[C@H](N3CC=CC3)C2)c1[N+](=O)[O-]	102223676	IJDJGKWIYCSNNY-ZDUSSCGKSA-N	303.362	2.444	5	40	DEBB	
C[C@@H]1CCCN([C@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1	106078666	MNYRYKZVTXVSJD-ZIAGYGMSSA-N	319.405	2.374	5	40	DEBB	
O=C1[C@@H](n2cc([N+](=O)[O-])cn2)CCCN1c1ccccc1F	95994858	CAZVBJLWGBBNDJ-ZDUSSCGKSA-N	304.281	2.299	5	40	DEBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1	194641043	CPOBQQGGABJGRB-UHFFFAOYSA-N	322.346	2.002	5	40	DEBB	
O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(O)c3)C2)cn1	89601926	WGTOKPWPYRIARL-CQSZACIVSA-N	301.302	2.273	5	40	DEBB	
CC[C@@H]([C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C)[N+](=O)[O-]	20113877	MQCPYEYBHUVZJP-GXFFZTMASA-N	308.334	2.008	5	40	DEBB	biogenic
CCOC(=O)NC(NC(=O)OCC)c1ccccc1[N+](=O)[O-]	1562905	DXJTYSRFLTYVKG-UHFFFAOYSA-N	311.294	2.086	5	40	DEBB	
CS(=O)(=O)Nc1ccc(Nc2ncccc2[N+](=O)[O-])cc1	26710920	XZPXJNFZJKCPGV-UHFFFAOYSA-N	308.319	2.105	5	40	DEBB	
C[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1	12620617	NELWIEWNKRGBRE-IJLUTSLNSA-N	307.350	2.031	5	40	DEBB	
CNc1ccc(C(=O)NCc2c(C)noc2C)cc1[N+](=O)[O-]	48356405	YUZPKTUNXGEDLM-UHFFFAOYSA-N	304.306	2.171	5	40	DEBB	
CN(CC(=O)NCc1cccs1)Cc1ccccc1[N+](=O)[O-]	26346565	LTAIWDGOHASQIQ-UHFFFAOYSA-N	319.386	2.405	5	40	DEBB	
Cc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1[N+](=O)[O-]	409140801	FWNRAXSMTUOMFI-BJMVGYQFSA-N	322.298	2.024	5	40	DEBB	
O=[N+]([O-])c1cc(F)c2c(I)n[nH]c2c1	14983877	MNCWLTZJVZRHPI-UHFFFAOYSA-N	307.022	2.215	5	40	DEBB	
Cc1cccc2c(=O)c3c(O)cc(OCC(=O)O)cc3oc12	20756959	XJDPNXFTYFNUHZ-UHFFFAOYSA-N	300.266	2.424	5	40	DEBB	biogenic
COc1ccc([C@H](CO)Nc2ncc(C)cc2[N+](=O)[O-])cc1	78664324	DUCJCCJIIKAYLM-ZDUSSCGKSA-N	303.318	2.452	5	40	DEBB	
C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1	45496622	SGJFPISYJOZRCF-MNOVXSKESA-N	310.375	2.323	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C)on1	25136848	GCWPFFIGRVFYMP-UHFFFAOYSA-N	305.290	2.172	5	40	DEBB	
CCc1nnc(Sc2nc3ccccn3c2[N+](=O)[O-])n1C	69484162	KILNZIBEQRQMHM-UHFFFAOYSA-N	304.335	2.085	5	40	DEBB	
C[C@@H](C(=O)NCc1ccc(Cl)cc1)n1cc([N+](=O)[O-])cn1	97048007	ITWMCWKRORSRRH-VIFPVBQESA-N	308.725	2.322	5	40	DEBB	
CN(Cc1cc(C(N)=O)cs1)Cc1ccccc1[N+](=O)[O-]	95982611	PLHGGOMCVWLYAP-UHFFFAOYSA-N	305.359	2.387	5	40	DEBB	
COCc1nc2n(n1)C[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)CC2	95411609	DPGDXCKEBUFJMJ-GFCCVEGCSA-N	317.349	2.068	5	40	DEBB	
CNC(=O)COc1ccc(NCc2csc([N+](=O)[O-])c2)cc1	78903852	XVZLTXFYCMWERZ-UHFFFAOYSA-N	321.358	2.393	5	40	DEBB	
Cc1nc(N2CCN(c3ncccc3F)CC2)ccc1[N+](=O)[O-]	90144429	KBKHCNNOKRZHQQ-UHFFFAOYSA-N	317.324	2.159	5	40	DEBB	
O=C1N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)Nc2ncccc21	69534997	VSLZXSXCFJVYLY-LLVKDONJSA-N	304.693	2.497	5	40	DEBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl	5260286	JAADNMWSOPUERI-UHFFFAOYSA-N	313.722	2.444	5	40	DEBB	
Cn1cnc([N+](=O)[O-])c1NCCOc1ccc2c(c1)CCC2	54837659	XEUHMLDHEDOLKB-UHFFFAOYSA-N	302.334	2.308	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccs1	6314038	QVTPLNVYXWKFLG-UHFFFAOYSA-N	312.372	2.443	5	40	DEBB	
CCc1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])s1	8996039	URPQKVCCIJEOEW-UHFFFAOYSA-N	308.319	2.026	5	40	DEBB	
Cc1c(C(=O)NCc2ccco2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4508297	GNVWNIMXCFWIDU-UHFFFAOYSA-N	305.246	2.334	5	40	DEBB	
O=C(O)[C@H](c1ccc([N+](=O)[O-])cc1)[S@@](=O)Cc1ccco1	77028696	DNKPBQVNNBANEQ-LAJNKCICSA-N	309.299	2.262	5	40	DEBB	in-vitro
Cc1ccc(S(=O)(=O)Nc2c(C)c(C)nn2C)c([N+](=O)[O-])c1	78612503	QAIMWAPJCCYBAM-UHFFFAOYSA-N	324.362	2.054	5	40	DEBB	
Cc1ccccc1[C@@H](O)CNC(=O)Cc1cccc([N+](=O)[O-])c1	96436518	KGTXGVSACGVWAO-INIZCTEOSA-N	314.341	2.296	5	40	DEBB	
C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccco1	32739483	SHBZJNUYRSZXOO-SECBINFHSA-N	318.285	2.450	5	40	DEBB	
O=C(O)c1ccc(C(=O)O)c(C(=O)c2ccc([N+](=O)[O-])cc2)c1	225935	CSBZBOBYFXLIGH-UHFFFAOYSA-N	315.237	2.222	5	40	DEBB	
C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1	9469010	AVUAQIMEGKGKCB-JTQLQIEISA-N	307.331	2.029	5	40	DEBB	
Cc1sc2ncnc(-n3ccc(=O)c([N+](=O)[O-])c3)c2c1C	96468175	WTFFLPWWHMZXKJ-UHFFFAOYSA-N	302.315	2.367	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCCO2)c(Cl)c1	390833088	BXXPLXDVGMTISG-UHFFFAOYSA-N	320.754	2.354	5	40	DEBB	
COC(=O)c1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1C	5533895	SUYJVVYXZWNXHA-UHFFFAOYSA-N	321.314	2.399	5	40	DEBB	
CC(C)NC(=O)[C@H]1CCC[C@@H](Nc2ccncc2[N+](=O)[O-])C1	72286527	USCWFRIYMJIBJN-NWDGAFQWSA-N	306.366	2.485	5	40	DEBB	
NS(=O)(=O)c1cccc(NCCC2=CCCC2)c1[N+](=O)[O-]	97115391	XJTWOKKUFWUOCK-UHFFFAOYSA-N	311.363	2.155	5	40	DEBB	
O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc3ccccc3n12	12370110	OEGMARAJWDSTIW-NTEUORMPSA-N	323.333	2.365	5	40	DEBB	
Cc1cc(N2CCCN(c3ncccn3)CC2)ccc1[N+](=O)[O-]	71910606	NQQMXFVNYCPTEP-UHFFFAOYSA-N	313.361	2.410	5	40	DEBB	
O=C(COc1ccccc1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12	89420993	XWTXLGUIBWNAKS-UHFFFAOYSA-N	312.285	2.489	5	40	DEBB	
NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1	96501207	WRRGCPGEBKPTQJ-UHFFFAOYSA-N	311.769	2.478	5	40	DEBB	
Cc1cnc(N2CCC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1	98016316	KNARGSGNIIVLGJ-NSHDSACASA-N	305.256	2.192	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)Cc2ccccc2)c1	78939334	AIOUQWYSZWTVMO-CQSZACIVSA-N	314.341	2.237	5	40	DEBB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	100178281	JEBWFSNKIKHTIJ-RLUOWVSXSA-N	310.309	2.152	5	40	DEBB	
NC(=O)c1ccc(Sc2nnc(C3CC3)o2)c([N+](=O)[O-])c1	9455260	NYEHLTXHYKXCFA-UHFFFAOYSA-N	306.303	2.105	5	40	DEBB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1	55328259	PBBVVCXTRBPIGO-JHJVBQTASA-N	308.382	2.368	5	40	DEBB	
CCCCNc1c([N+](=O)[O-])ccc2c1=NC1(CCCCC1)[N+]=2[O-]	4762594	RTYCQFJBUAKOHH-UHFFFAOYSA-N	318.377	2.089	5	40	DEBB	aggregator
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCc2cccc(F)c21	69979846	ACVYUCXNRIYRDO-UHFFFAOYSA-N	318.308	2.300	5	40	DEBB	
Cc1ccsc1CN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	85324904	SMZOQDVOXGNVTI-HIFRSBDPSA-N	322.386	2.149	5	40	DEBB	
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C1CCC1	1236199	NFFXLBOULWRCRD-UHFFFAOYSA-N	309.347	2.217	5	40	DEBB	
C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)C1	5110061	MILXGBDCCBAFPE-VXGBXAGGSA-N	320.345	2.256	5	40	DEBB	
Cc1cccc(C(=O)N2CCC[C@H](C3OCCO3)C2)c1[N+](=O)[O-]	69304533	IOWZQPGWCHIBDP-LBPRGKRZSA-N	320.345	2.128	5	40	DEBB	
O=C([C@H]1CCCn2ccnc21)N1CCc2ccc([N+](=O)[O-])cc21	72310056	INYCTRIZBRDNDI-ZDUSSCGKSA-N	312.329	2.258	5	40	DEBB	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Oc1ccc(F)cc1	95481792	GTMRDDQNHBBXML-UHFFFAOYSA-N	322.273	2.262	5	40	DEBB	
O=C(NCc1cc(Cl)ccc1OC(F)F)[C@H]1C[C@@H]1[N+](=O)[O-]	73363929	ICEKLILMAGKKKN-IUCAKERBSA-N	320.679	2.223	5	40	DEBB	
O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@H]3CCC[C@H]3C2)cc1	195559641	MSDROJWKXXTQMX-BETUJISGSA-N	324.402	2.100	5	40	DEBB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCOCC1	5003387	AFBPXWUCOGYWBU-ZJPYXAASSA-N	314.490	2.302	5	40	DEBB	
C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1	32156261	HYGGCVYVVXKBDP-SNVBAGLBSA-N	300.318	2.309	5	40	DEBB	
O=C([C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)N1CCCC1	4746222	GQBUOBMECVJKKK-HNNXBMFYSA-N	317.389	2.429	5	40	DEBB	
O=C(NCc1ccnc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1	44913480	MHGMIJPDFVEXPH-UHFFFAOYSA-N	323.312	2.106	5	40	DEBB	
Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1Cc1ccco1	2430601	QDDOOAGMMLWPQP-UHFFFAOYSA-N	321.336	2.198	5	40	DEBB	
C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H]2CC[C@@H]1C2	101616061	YKJSYULAWIYHAE-FMCLSXCISA-N	306.366	2.122	5	40	DEBB	
O=[N+]([O-])c1ccc(OCCCSc2nnnn2C2CC2)cc1	54915771	XPZIWQAVEXWECV-UHFFFAOYSA-N	321.362	2.477	5	40	DEBB	
Cc1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	6504305	BNWLUHAOBLUCPS-UHFFFAOYSA-N	306.343	2.382	5	40	DEBB	
Cc1noc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)C(C)C)n1	72280791	QRKNQLJBRASJRK-SNVBAGLBSA-N	310.335	2.475	5	40	DEBB	
C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	37530352	OBFZHJUTVODORB-MJBXVCDLSA-N	308.378	2.312	5	40	DEBB	
CC1CCN(C[C@@H](O)COc2ccc(F)cc2[N+](=O)[O-])CC1	95439057	YIWORTVHLCTDKS-CYBMUJFWSA-N	312.341	2.206	5	40	DEBB	
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1CN1CCOCC1	160419452	QLGDIOPYXYSKPW-ZDUSSCGKSA-N	309.341	2.035	5	40	DEBB	
CSCC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	4517197	DOHZIJDJOSBJFP-SECBINFHSA-N	315.307	2.121	5	40	DEBB	
COc1ccc(C(=O)COc2cccnc2[N+](=O)[O-])c(OC)c1	7736403	WQYCYDSGBKLGEK-UHFFFAOYSA-N	318.285	2.269	5	40	DEBB	
O=[N+]([O-])c1cnn(CN2CCO[C@@H](c3ccccc3Cl)C2)c1	71800028	GQZLPWARPCOXFZ-CQSZACIVSA-N	322.752	2.476	5	40	DEBB	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C=C[C@H](CO)C1	84147837	AMCNTIQHEKOMAH-NWDGAFQWSA-N	305.334	2.270	5	40	DEBB	
CC1CCN(c2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])CC1	26508798	HWTHBMYSFNSQDK-UHFFFAOYSA-N	309.278	2.438	5	40	DEBB	
C[C@@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCC[C@H]1O	96450965	UMHHLXKCDLOXLF-ZBFHGGJFSA-N	321.377	2.335	5	40	DEBB	
O=[N+]([O-])c1cnc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)nc1	96011547	PQMICXXCQPGZDT-NSHDSACASA-N	317.324	2.462	5	40	DEBB	
O=C(Cn1nc(Cl)nc1Cl)c1ccc([N+](=O)[O-])cc1	544648	VRJDBHPGCSDWST-UHFFFAOYSA-N	301.089	2.376	5	40	DEBB	
Cc1nc2ccccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	287852	HQEOZUFUFSPZJV-UHFFFAOYSA-N	317.326	2.490	5	40	DEBB	
Cc1nn(CN(C)Cc2ccccc2[N+](=O)[O-])c(=S)n1C	25479488	HDXNVCYHQQRWMB-UHFFFAOYSA-N	307.379	2.257	5	40	DEBB	
Cc1nccn1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cn1	58244680	ZZTPXTOPRUWQKM-UHFFFAOYSA-N	313.273	2.329	5	40	DEBB	
O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc2[nH]cnc2c1	89912385	GSFWRABIKGTSNA-UHFFFAOYSA-N	310.313	2.444	5	40	DEBB	
CC(=O)c1ccc(N2CCC[C@H]2c2nc[nH]n2)c([N+](=O)[O-])c1	521395215	AWUMANVZJLFJAB-LBPRGKRZSA-N	301.306	2.257	5	40	DEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C(C)C)C1	46162428	NBCQSQRQQHZFAF-NSHDSACASA-N	305.334	2.099	5	40	DEBB	
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)C(F)F	604221783	WDHFXHACEDIFKO-UHFFFAOYSA-N	316.079	2.354	5	40	DEBB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	14255991	CXROFFBCQOOZMD-UHFFFAOYSA-N	323.286	2.304	5	40	DEBB	
COCCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O	409142387	KDRMAZVOFACZEQ-DHZHZOJOSA-N	308.315	2.278	5	40	DEBB	
COc1ncnc2c1CN(Cc1ccc(C)c([N+](=O)[O-])c1)CC2	92807822	HPLSLEDISCZWJY-UHFFFAOYSA-N	314.345	2.260	5	40	DEBB	
Cc1cc(N(CCN(C)C)Cc2ccccn2)ncc1[N+](=O)[O-]	95429759	ZSKJUYJUBUPTDN-UHFFFAOYSA-N	315.377	2.261	5	40	DEBB	
O=C(NC[C@@H](CO)Cc1ccco1)Nc1ccccc1[N+](=O)[O-]	25232168	XTOHKIRLDQXTCC-NSHDSACASA-N	319.317	2.161	5	40	DEBB