smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
NC(=S)Nn1c(=O)c2ccccc2c2ccccc2c1=O	1719571	KLPLRDILQXEKJT-UHFFFAOYSA-N	297.339	1.302	5	40	CDBB	
CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(C(F)F)C1	6755531	ZCEDHCKYIZJNMQ-GFCCVEGCSA-N	299.233	1.770	5	40	CDBB	
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC1CC=CC1	97082663	KUTOEOPELNBKHP-UHFFFAOYSA-N	283.309	1.373	5	40	CDBB	
O=C1NC(=O)/C(=C/Nc2cccc([N+](=O)[O-])c2)S1	36636138	UDAXDLQBKUQIFK-YVMONPNESA-N	265.250	1.831	5	40	CDBB	
O=C(O)CCn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	408717017	UWERHWSVGSTSJJ-UHFFFAOYSA-N	283.162	1.207	5	40	CDBB	
Cc1c([N+](=O)[O-])cc(NC(=O)/C=C\C(=O)O)cc1[N+](=O)[O-]	31638272	NVHUSKIIOCPXRK-IHWYPQMZSA-N	295.207	1.391	5	40	CDBB	
Cc1cc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)no1	69581405	GZBUAGGQZGCPQQ-UHFFFAOYSA-N	275.220	1.847	5	40	CDBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C1CCCC1	96436628	YHLXITVKNNBASO-CQSZACIVSA-N	292.335	1.805	5	40	CDBB	
COC(=O)c1ccc2cc(OC)cc([N+](=O)[O-])c2n1	1680307	OIZGTTMKLCKDPK-UHFFFAOYSA-N	262.221	1.938	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c1	3156718	URZUYIHBTGEIQA-UHFFFAOYSA-N	276.208	1.468	5	40	CDBB	
CCn1c(CCn2cc([N+](=O)[O-])cn2)n[nH]c1=S	5967886	ZOAKVMZRQCJSJK-UHFFFAOYSA-N	268.302	1.308	5	40	CDBB	
O=[N+]([O-])c1c(NCC2(O)CCC2)nc2ccccn12	78601558	HVSJTOHHPSUAFC-UHFFFAOYSA-N	262.269	1.569	5	40	CDBB	
O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12	4104514	KSKYUERSKUVUJX-GAQJKIJGSA-N	299.286	1.411	5	40	CDBB	
COc1cc2nc(C)[n+]3nc(O)ccc3c2cc1OC	16941915	FVFBKGZXBOPPHI-UHFFFAOYSA-O	272.284	1.400	5	40	CDBB	
Cc1ccc(NC(=O)CSCCO)cc1[N+](=O)[O-]	18186341	YEQCIJKQPQYCFP-UHFFFAOYSA-N	270.310	1.567	5	40	CDBB	
O=[N+]([O-])c1ccc(NNS(=O)(=O)c2ccccc2)nc1	20031431	DHIOGUSPJLLYEX-UHFFFAOYSA-N	294.292	1.295	5	40	CDBB	
Cc1nn(CN(C)Cc2cnn(C)c2)c(C)c1[N+](=O)[O-]	29543730	ZTIDBCYRHQUSNH-UHFFFAOYSA-N	278.316	1.231	5	40	CDBB	
CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	37064503	PRZONFHGXSCOSB-UHFFFAOYSA-N	274.298	1.292	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1CC1	2649355	FQTQCBWCGQGGCD-UHFFFAOYSA-N	294.263	1.495	5	40	CDBB	
C[N+](C)(C)CCOC(=O)C[C@H]1COc2ccccc2O1	5164828	RBYSWAKYAJVLAK-LBPRGKRZSA-N	280.344	1.466	5	40	CDBB	
C[S@@](=O)c1nncn1CCc1ccc([N+](=O)[O-])cc1	71899906	GUJKPHKPVKKWDV-IBGZPJMESA-N	280.309	1.166	5	40	CDBB	
COc1ccc(NC(=O)c2cc(C)nn2C)cc1[N+](=O)[O-]	97082796	BVIKIYIYTFYDTF-UHFFFAOYSA-N	290.279	1.898	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(F)F)nn1C[C@H](C)C(=O)O	408715852	FTRNTYIVKAAJDM-BYPYZUCNSA-N	263.200	1.758	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1	226346101	SDEUUUSYFCLETH-UHFFFAOYSA-N	279.296	1.305	5	40	CDBB	
C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1	33049965	MVIARPSWMNOAAX-VIFPVBQESA-N	250.254	1.456	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccn2)cc1	2057740	ZVWKMKQBTPDPMW-UHFFFAOYSA-N	280.261	1.758	5	40	CDBB	
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C)C1	22358327	RINBQNANAFOJQD-MNOVXSKESA-N	293.323	1.643	5	40	CDBB	
O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC1CC1	2635219	AQEMYGIXLCTTNT-UHFFFAOYSA-N	298.682	1.684	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1C([N+](=O)[O-])[N+](=O)[O-]	100277770	WPOYIFYBQWBTFU-UHFFFAOYSA-N	257.158	1.155	5	40	CDBB	
Cc1cc/c(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]c1	4147885	SLFJERQTZZHWGR-UHFFFAOYSA-N	293.304	1.521	5	40	CDBB	
Cc1ccc(NCCCNS(C)(=O)=O)c([N+](=O)[O-])c1	76018873	OFYUQFMIJIWHFL-UHFFFAOYSA-N	287.341	1.254	5	40	CDBB	
O=[N+]([O-])c1cnn(Cc2nc3c(F)cccc3[nH]2)c1	75142898	XRVFXGOWGPYVAG-UHFFFAOYSA-N	261.216	1.855	5	40	CDBB	
Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)on1	97097107	FECIOMJTULOXJK-UHFFFAOYSA-N	277.236	1.527	5	40	CDBB	
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)on1	95451136	IPBANMZOIKMGAN-UHFFFAOYSA-N	263.209	1.849	5	40	CDBB	
CCN(CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CC1	166144741	GOHYZAMLDHNEHY-UHFFFAOYSA-N	279.296	1.723	5	40	CDBB	
CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1	42555	OMAPMMFECXIKPB-QMMMGPOBSA-N	252.274	1.723	5	40	CDBB	
COc1c(O)c(Br)cc(C=O)c1[N+](=O)[O-]	2170836	XAZNBZJAJJLBJC-UHFFFAOYSA-N	276.042	1.884	5	40	CDBB	
CC[C@H](C)NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1	2679916	SMKPDKOHESNKGI-CMPLNLGQSA-N	268.313	1.723	5	40	CDBB	
O=C1CSC(=O)N1CNc1cccc([N+](=O)[O-])c1	3142209	XACNOIRNGRMSEY-UHFFFAOYSA-N	267.266	1.660	5	40	CDBB	
O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])NC1CC1	2634504	PFQJRBXHCYOLCE-VMPITWQZSA-N	290.275	1.430	5	40	CDBB	
O=C(Nc1nc(C2CC2)cs1)[C@@H]1C[C@H]1[N+](=O)[O-]	44487551	VOMZNOZRDNTUPM-HTRCEHHLSA-N	253.283	1.624	5	40	CDBB	
COc1cc(CNC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC	69535323	AXOALYFCCZJWPW-NSHDSACASA-N	296.323	1.881	5	40	CDBB	
C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1csc([N+](=O)[O-])c1	69623484	APMDQOZLQKPZEZ-PSASIEDQSA-N	283.353	1.742	5	40	CDBB	
O=[N+]([O-])c1cnn(CCN2CCc3ccccc3CC2)c1	89861237	XMILCYJLSZHJPW-UHFFFAOYSA-N	286.335	1.892	5	40	CDBB	
O=C(NCc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccccc1	75609915	ZIYBZDRTYDHWKV-NXEZZACHSA-N	288.263	1.132	5	40	CDBB	
Cc1nc(N2CCC[C@H](c3nnn[nH]3)C2)ccc1[N+](=O)[O-]	97147825	DLANPNJVEUUKHF-VIFPVBQESA-N	289.299	1.195	5	40	CDBB	
CC[C@H](CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	97233212	CBSDVEFWKZGNSU-SNVBAGLBSA-N	291.307	1.506	5	40	CDBB	
COC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-]	20284143	SZXPDJXMCFRDTR-UHFFFAOYSA-N	277.179	1.991	5	40	CDBB	
Cc1ccc(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-]	49096728	VAPUDDROGYIMQX-GFCCVEGCSA-N	277.324	1.727	5	40	CDBB	
CN1CC[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])CC1=O	192860591	GNCOFQDKEQCCFM-SECBINFHSA-N	267.260	1.767	5	40	CDBB	
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(c2ccccc2)CC1	47268042	CIWLATSKVYRUAW-OLZOCXBDSA-N	275.308	1.000	5	40	CDBB	
CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-]	49389613	SYLMVKNLQAYCIZ-UHFFFAOYSA-N	274.280	1.991	5	40	CDBB	
CC1CCN(c2nc(N(C)C)nc(N)c2[N+](=O)[O-])CC1	4305935	HFRSTTHCYKVNNB-UHFFFAOYSA-N	280.332	1.269	5	40	CDBB	
CCc1nc(CN(C)C(=O)[C@H]2C[C@H]2[N+](=O)[O-])cs1	67770827	KORPEVUPHIELHL-DTWKUNHWSA-N	269.326	1.329	5	40	CDBB	
COCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	18257182	YLRWQCPJPNYTPK-ZDUSSCGKSA-N	293.279	1.008	5	40	CDBB	
COC(=O)[C@H]1CN(C)C[C@@H]1c1ccc([N+](=O)[O-])cc1	217669856	IWSRWSNGUTXQKM-NEPJUHHUSA-N	264.281	1.413	5	40	CDBB	
Cc1cnc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)o1	78994793	ZIWQMVONGNPQGT-UHFFFAOYSA-N	276.252	1.403	5	40	CDBB	
O=C(NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1	580883	IPRBAOQJVHTAGW-LLVKDONJSA-N	250.254	1.504	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCCCN1	44492452	PESMKRWYIIHDOL-SNVBAGLBSA-N	299.352	1.015	5	40	CDBB	
O=C(O)[C@@H]1COc2c(cc(Cl)cc2[N+](=O)[O-])C1	12505682	RYTMVTXXMSRLGT-LURJTMIESA-N	257.629	1.884	5	40	CDBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1=NCCS1	3197048	BYGNRGJZRYUJEA-ZZXKWVIFSA-N	277.305	1.827	5	40	CDBB	
O=[N+]([O-])c1cccnc1NC[C@@H](CO)Cc1ccco1	12888798	SLERDLXSZXQPHJ-JTQLQIEISA-N	277.280	1.846	5	40	CDBB	
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccc[nH]1	4412123	YCAISCNLQRVWSA-UHFFFAOYSA-N	298.258	1.516	5	40	CDBB	
COc1cc(I)c(N)c([N+](=O)[O-])c1	226289235	PBEJYWQHRMULPW-UHFFFAOYSA-N	294.048	1.790	5	40	CDBB	
CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	5021972	CBCIBNBNVKLWSC-SNVBAGLBSA-N	266.253	1.434	5	40	CDBB	
CCOC(=O)[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@]1(C)O	5813008	KBDXTNCJOUVONL-PWSUYJOCSA-N	267.237	1.126	5	40	CDBB	
Cc1nn(CCCC(=O)n2cccn2)c(C)c1[N+](=O)[O-]	1429865	RUNBOULQGRJFNO-UHFFFAOYSA-N	277.284	1.725	5	40	CDBB	
O=c1c2nc[nH]c2ncn1Cc1ccc([N+](=O)[O-])cc1	52561	BLRIXZNYJMLUQG-UHFFFAOYSA-N	271.236	1.076	5	40	CDBB	
CC(=O)OC(OC(C)=O)c1cc([N+](=O)[O-])cs1	480699	PAJLUESZZMHOBT-UHFFFAOYSA-N	259.239	1.781	5	40	CDBB	
CCCNC(=O)[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1	32735885	ZKHKWQJLWNMTQA-VIFPVBQESA-N	294.311	1.631	5	40	CDBB	
Cc1c(NC(=O)CCn2ncc([N+](=O)[O-])c2C)cnn1C	2794206	RGNMJNATQXZUOE-UHFFFAOYSA-N	292.299	1.170	5	40	CDBB	
COc1cc(CCNC(=O)C2CC2)c([N+](=O)[O-])cc1OC	8748160	ZUTMAXFECMJCMI-UHFFFAOYSA-N	294.307	1.681	5	40	CDBB	
O=C(O)c1cccn2c(=O)c3cc(F)ccc3nc12	35462740	BULKJGITZGHSFQ-UHFFFAOYSA-N	258.208	1.685	5	40	CDBB	
Cc1cnc(N[C@@H]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1	95415016	XOHYTFHTCNVAPY-RKDXNWHRSA-N	264.285	1.364	5	40	CDBB	
CCNC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	8290496	AKNSYGXIISYRDT-MRVPVSSYSA-N	266.253	1.276	5	40	CDBB	
O=c1[nH]cnc2[nH]c(-c3cccc([N+](=O)[O-])c3)cc12	11997334	CLZYYTKUJFQYNH-UHFFFAOYSA-N	256.221	1.826	5	40	CDBB	
O=[N+]([O-])c1ccn(CCc2nnc(NC3CC3)s2)n1	2788012	RYAXHOSYVMFLAK-UHFFFAOYSA-N	280.313	1.460	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)O[C@H](C)C1	2777558	FGWZZRADXZHFBA-RKDXNWHRSA-N	282.300	1.061	5	40	CDBB	
CC(C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1	27357589	QMFNERGTCHVDKO-UHFFFAOYSA-N	266.301	1.714	5	40	CDBB	
O=[N+]([O-])c1ccc(NC[C@H](O)CO)cc1C(F)(F)F	90281746	LFGNKTICVKQDDH-ZETCQYMHSA-N	280.202	1.379	5	40	CDBB	
COC(=O)CCCCNc1ncccc1[N+](=O)[O-]	69001256	TUBQNOZMFWNWAW-UHFFFAOYSA-N	253.258	1.745	5	40	CDBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NCC1(CO)CC1	89780811	WMWOMNPHEPEUDY-UHFFFAOYSA-N	264.281	1.026	5	40	CDBB	
CCn1ncc(I)c1[N+](=O)[O-]	72339264	DKBRZMMBQDVXTC-UHFFFAOYSA-N	267.026	1.416	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(NC2COC(C)(C)OC2)n1	88314983	OAHWUBWBXFMGEY-UHFFFAOYSA-N	283.284	1.562	5	40	CDBB	
C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)S1	95981598	DXKUXXYUYWZVBW-IUCAKERBSA-N	293.352	1.968	5	40	CDBB	
CCOC(=O)CN(CC)c1nc2sccn2c1[N+](=O)[O-]	50071425	HDBYVFOALSDPCM-UHFFFAOYSA-N	298.324	1.693	5	40	CDBB	
CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	103153360	BKXQVKOOPWPICB-UHFFFAOYSA-N	295.114	1.265	5	40	CDBB	
O=C1OCCN1CCNc1ccc([N+](=O)[O-])cc1	4035901	NLUNSBIYOKNFJK-UHFFFAOYSA-N	251.242	1.459	5	40	CDBB	
O=C(Nc1ccccc1[N+](=O)[O-])c1csnn1	8673444	KIEGBNGTDRNWAH-UHFFFAOYSA-N	250.239	1.699	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C=C[C@H](CO)C1	97103734	ASBBDUPAMFXUCY-WDEREUQCSA-N	291.307	1.962	5	40	CDBB	
Cc1c[nH]nc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1	76083214	KNIGZWRXLYWJCU-UHFFFAOYSA-N	262.225	1.584	5	40	CDBB	
CCOc1cc(OCc2ncnn2C)ccc1[N+](=O)[O-]	188609324	CYPCWUAYDFONDJ-UHFFFAOYSA-N	278.268	1.701	5	40	CDBB	
CC1=NN(c2ccccc2)C(=O)[C@@]12[C@@H]([N+](=O)[O-])[C@@H]2C	221836170	SIWDEOAYYTUWNB-LJUAHTATSA-N	259.265	1.691	5	40	CDBB	
COC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1	65562240	CRTZLULVRDUXME-LLVKDONJSA-N	297.330	1.891	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1SCCCNc1ncccn1	68772758	NEWMFTOECMXGIE-UHFFFAOYSA-N	294.340	1.713	5	40	CDBB	
Cc1cc(C)n(C(=O)[C@H](C)n2cc([N+](=O)[O-])c(C)n2)n1	2776775	PHNDIFUVQPJNAI-JTQLQIEISA-N	277.284	1.814	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	100172025	OMOUCINQOUGMPO-BJDJZHNGSA-N	286.243	1.038	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1Cn1nc([N+](=O)[O-])cc1C	1310205	FOZMGJNQZOUBNH-UHFFFAOYSA-N	266.217	1.019	5	40	CDBB	
CN(C)C1(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CCCCCC1	47297920	NIQUDOVSXCLPFR-RYUDHWBXSA-N	283.372	1.422	5	40	CDBB	
CCCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-]	5077147	FVXWXOMNEHNRKD-UHFFFAOYSA-N	266.253	1.877	5	40	CDBB	
COc1cc(F)c([N+](=O)[O-])c(NCC(=O)NC2CC2)c1	95971855	RPRLGGPUEYNNEA-UHFFFAOYSA-N	283.259	1.433	5	40	CDBB	
O=C1c2ccc([N+](=O)[O-])cc2N[C@H](O)c2cccn21	5495722	CLCRFRNLFWUIAX-LLVKDONJSA-N	259.221	1.501	5	40	CDBB	
Nn1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O	1572910	SBIROOHZJZRBTN-UHFFFAOYSA-N	282.259	1.686	5	40	CDBB	
Cc1csc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n1	2760242	VBTVZMYZHRYVOH-UHFFFAOYSA-N	267.270	1.346	5	40	CDBB	
CN(C)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4321353	BWWVFSVVGTUGGW-UHFFFAOYSA-N	268.273	1.867	5	40	CDBB	
C[C@H]1CCO[C@@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1	95973867	LESJTQOUFAXXCN-CABZTGNLSA-N	264.281	1.983	5	40	CDBB	
N=c1[nH]nc(-c2cc([N+](=O)[O-])nn2C2CCCC2)s1	408717836	XARCSCWFVCJJOR-UHFFFAOYSA-N	280.313	1.837	5	40	CDBB	
Cn1cc(C(=O)O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)n1	36615477	DWICEMXKUAWTBD-UHFFFAOYSA-N	290.235	1.279	5	40	CDBB	
CN1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2)C1	217503503	JHOLTBUCGVIXFN-GFCCVEGCSA-N	252.270	1.304	5	40	CDBB	
O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccnc(Cl)c1	84613379	DZXZCEVSJDTLLF-UHFFFAOYSA-N	295.686	1.270	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1C(=O)NCc1ccccc1	13212570	HRHZZGUHAZAPHG-UHFFFAOYSA-N	260.253	1.258	5	40	CDBB	
CC(C)NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1	32718881	IABHRDOPYFHFEM-UHFFFAOYSA-N	255.249	1.670	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC1	7786191	HJZLRCUKYLNGDJ-UHFFFAOYSA-N	279.296	1.638	5	40	CDBB	
COc1ccc(C(=O)NCc2noc(C)n2)cc1[N+](=O)[O-]	107992211	CNAJXBOHDAEYKL-UHFFFAOYSA-N	292.251	1.225	5	40	CDBB	
Cc1c[nH]/c(=N/C(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]1	95429567	ZSDNXXBAWJPKLX-UHFFFAOYSA-N	266.282	1.670	5	40	CDBB	
Cc1nn(CCCC(=O)N2CCOCC2)c(C)c1[N+](=O)[O-]	12372175	UJYIEZHZDWDKRX-UHFFFAOYSA-N	296.327	1.047	5	40	CDBB	
CC(=O)NC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C)CCO1	80643429	NTTIAKOHEJHQPE-CYBMUJFWSA-N	293.323	1.245	5	40	CDBB	
O=[N+]([O-])c1cnn(Cc2csc(-c3ncccn3)n2)c1	69738934	JIFSHGXQVNVDKX-UHFFFAOYSA-N	288.292	1.753	5	40	CDBB	
CCOc1cc(N2CCC(O)CC2)ccc1[N+](=O)[O-]	71372499	OPFTWSQGCRYECV-UHFFFAOYSA-N	266.297	1.955	5	40	CDBB	in-vitro
Cc1cc([N+](=O)[O-])nn1[C@H](CC(=O)O)C(F)(F)F	685936510	CFZZJYAZNVUJPJ-RXMQYKEDSA-N	267.163	1.678	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nnn[nH]2)c(C(F)(F)F)c1	40566717	PQSIDAYQUUYIKI-UHFFFAOYSA-N	259.147	1.794	5	40	CDBB	
Cc1ccc(C(=O)NCC2CCN(C)CC2)cc1[N+](=O)[O-]	23013774	PNXSJAMFLRGULY-UHFFFAOYSA-N	291.351	1.975	5	40	CDBB	
COC(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1	484217	SGYDPBABHWTHNA-UHFFFAOYSA-N	261.237	1.626	5	40	CDBB	
CCOc1ccc2c(c1)[n+]([O-])c1ccccc1[n+]2[O-]	4744322	VZHZJZFCSMWSOL-UHFFFAOYSA-N	256.261	1.659	5	40	CDBB	
O=C(O)[C@H]1CS[C@@H](c2ccccc2[N+](=O)[O-])N1	2750018	ZVOYQTDOMWNUHN-APPZFPTMSA-N	254.267	1.383	5	40	CDBB	
CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1	8884213	CMFZUPLYVYCEBS-UHFFFAOYSA-N	288.307	1.816	5	40	CDBB	
CN1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)C1=O	71915733	FNDQEPPSWFLZKP-VIFPVBQESA-N	269.326	1.319	5	40	CDBB	
COc1ccc(NC(=O)Cc2ccn[nH]2)cc1[N+](=O)[O-]	97370218	UELIMDGYAAOOAQ-UHFFFAOYSA-N	276.252	1.508	5	40	CDBB	
CC(C)CN(CC(N)=O)c1ncc([N+](=O)[O-])cc1Cl	84510977	OEPSSVRZKUQYHX-UHFFFAOYSA-N	286.719	1.591	5	40	CDBB	
O=[N+]([O-])c1cnn(CCSc2nc3ncccn3n2)c1	74783232	DDUSZWIQWMFRMQ-UHFFFAOYSA-N	291.296	1.021	5	40	CDBB	
O=c1[nH]cnc2c1cnn2-c1cccc([N+](=O)[O-])c1	13410801	KPYWZPYTUZIDGC-UHFFFAOYSA-N	257.209	1.017	5	40	CDBB	
CCC1([N+](=O)[O-])COC(c2ccc3c(c2)OCO3)OC1	1597401	UTSDWRPJAFDRTA-UHFFFAOYSA-N	281.264	1.886	5	40	CDBB	
CCOC(=O)[C@@H]1Oc2ccc([N+](=O)[O-])c3c2[C@]1(O)CCC3	1617858	AIZMJZINKYFYRF-GXTWGEPZSA-N	293.275	1.443	5	40	CDBB	
O=[N+]([O-])c1cccc(OC[C@H](O)Cn2cccn2)c1	95974716	IABPMRGWKBKNAI-LLVKDONJSA-N	263.253	1.231	5	40	CDBB	
CCCc1nc(Cn2cnc([N+](=O)[O-])n2)cs1	48603244	AWJNERTVEFLTIL-UHFFFAOYSA-N	253.287	1.644	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCCO)c([N+](=O)[O-])c1	8386505	ZUVFHHLTKJJUKX-UHFFFAOYSA-N	286.200	1.206	5	40	CDBB	
CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N+](=O)[O-])CC1	75629646	UVHHOQRLAPSWNR-JTQLQIEISA-N	274.317	1.271	5	40	CDBB	
CCc1nnc(SCCn2ccc([N+](=O)[O-])n2)n1C	96450943	GZEXPYKKFMZJPG-UHFFFAOYSA-N	282.329	1.275	5	40	CDBB	
O=[N+]([O-])c1ccc(F)c(S(=O)(=O)C(F)F)c1	604221763	SYOISMVJTQESNR-UHFFFAOYSA-N	255.173	1.730	5	40	CDBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCO1	95374	QZCNBJDBPPTBAS-YBJDMEARSA-N	276.292	1.903	5	40	CDBB	
O=C(CCCNC(=O)C1CC1)Nc1cccc([N+](=O)[O-])c1	32643910	XWBIZIMZAJKXCV-UHFFFAOYSA-N	291.307	1.840	5	40	CDBB	
Cc1ccnc(NCCCO[C@H]2CCOC2)c1[N+](=O)[O-]	89701880	MJWBFHBLFLHMJE-NSHDSACASA-N	281.312	1.906	5	40	CDBB	
O=c1ccc2cc(Nc3ncc([N+](=O)[O-])cn3)ccc2[nH]1	95940385	YSYXBMDOYCHXRN-UHFFFAOYSA-N	283.247	1.970	5	40	CDBB	
CC1=C(C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1	38856776	PRDVRYDVJJPJMM-JTQLQIEISA-N	276.248	1.557	5	40	CDBB	
CCc1nnc(Sc2ccc(C)cc2[N+](=O)[O-])n1N	70462247	TYQOHWDSDCGRJI-UHFFFAOYSA-N	279.325	1.922	5	40	CDBB	
NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1	98073388	XBEJNYYDIBJSCU-UHFFFAOYSA-N	254.296	1.860	5	40	CDBB	
COCCCNC(=O)COc1ccc([N+](=O)[O-])cc1	2679876	FJPYRHZJOXDUKT-UHFFFAOYSA-N	268.269	1.126	5	40	CDBB	
Cn1nnc2cc(Cn3cc([N+](=O)[O-])ccc3=O)ccc21	79105089	UDPGQPBBZQCQDW-UHFFFAOYSA-N	285.263	1.087	5	40	CDBB	
CCS(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	89274319	RTOIPXUIKMDZFE-UHFFFAOYSA-N	284.337	1.909	5	40	CDBB	
C[C@H]1CCCC[C@H]1NC(=O)CCn1cnc([N+](=O)[O-])c1	12525580	LEIGSSFSASBBHB-WDEREUQCSA-N	280.328	1.876	5	40	CDBB	
COC[C@H](C)NCc1cc(OC)c(OC)cc1[N+](=O)[O-]	4133261	FPWSHRLBWOGOAC-VIFPVBQESA-N	284.312	1.737	5	40	CDBB	
Cc1ccc(S(=O)(=O)NCC(C)C)cc1[N+](=O)[O-]	4313638	IHJLQZKRMIRMIJ-UHFFFAOYSA-N	272.326	1.838	5	40	CDBB	
O=C(O)c1cccc([N+](=O)[O-])c1N1CCC[C@@H](O)C1	14988049	BWCOOSUVLBNQHD-MRVPVSSYSA-N	266.253	1.254	5	40	CDBB	
CC(C)C(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	20154195	JIQOSQUXIJMMBE-UHFFFAOYSA-N	292.339	1.599	5	40	CDBB	
CN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1=O	78650911	ZSBACDJBKQWJFV-SSDOTTSWSA-N	297.698	1.209	5	40	CDBB	
O=C(O)c1c(C(F)(F)F)nc2ccc([N+](=O)[O-])cn12	74536168	RMTYMNVTDZMEKP-UHFFFAOYSA-N	275.142	1.960	5	40	CDBB	
Cc1cc([N+](=O)[O-])n(CC(=O)n2nc(C)cc2C)n1	35316225	BUANPIMCFMQSOZ-UHFFFAOYSA-N	263.257	1.253	5	40	CDBB	
CCN(CC)C(=O)CNC(=O)c1cccc(C)c1[N+](=O)[O-]	48366466	GLYJIEKBYQXOSH-UHFFFAOYSA-N	293.323	1.501	5	40	CDBB	
Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1C	89531270	VFIVRXONWODLJY-UHFFFAOYSA-N	276.252	1.595	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1	26508467	HGFIHXRYIHFHTR-UHFFFAOYSA-N	270.197	1.688	5	40	CDBB	
O=[N+]([O-])c1cccc(CNS(=O)(=O)C2CC2)c1	173070764	KEFZIYBDEICPRX-UHFFFAOYSA-N	256.283	1.177	5	40	CDBB	
CNC(=O)c1ccc(NC[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1	71185864	VGBIXVOCRBLCDQ-JTQLQIEISA-N	292.339	1.318	5	40	CDBB	
O=[N+]([O-])c1ccc(Cl)cc1N1CCN(CCO)CC1	19537069	JHLAXAREQLFKHO-UHFFFAOYSA-N	285.731	1.363	5	40	CDBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(Nc2ccccc2F)n1	5065867	ATYHZYRPLAOFPA-UHFFFAOYSA-N	292.274	1.916	5	40	CDBB	
Cn1cc([C@@](C)(O)CNc2ccc([N+](=O)[O-])cn2)cn1	72294826	CRHJIONKNPAJJM-LBPRGKRZSA-N	277.284	1.043	5	40	CDBB	
Nc1ncnc(N(CCO)c2ccccc2)c1[N+](=O)[O-]	72238784	OVKQHOYGUUUSDE-UHFFFAOYSA-N	275.268	1.097	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](c2nnn[nH]2)C1	97234764	SEHAOBQDLZHLKP-MRVPVSSYSA-N	292.274	1.631	5	40	CDBB	
COc1cc(NC(=O)CN(C)C)ccc1[N+](=O)[O-]	408555750	IFYPBYYXNCOYCV-UHFFFAOYSA-N	253.258	1.104	5	40	CDBB	
Nc1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1	5446313	MGDUOJPPRSIYIC-UHFFFAOYSA-N	294.296	1.026	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC(=O)N1	82259049	BVQWDSOZIYLQQI-SECBINFHSA-N	263.253	1.120	5	40	CDBB	
O=C(COC(=O)c1cnccn1)c1ccc([N+](=O)[O-])cc1	510329	PBQUIDJSFRZGHZ-UHFFFAOYSA-N	287.231	1.425	5	40	CDBB	
C[C@@H]1CCCN([C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)C1	12473774	DJSFIGARWKRMBO-OTYXRUKQSA-N	291.307	1.424	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCCS(=O)(=O)C1	69135967	BTQGXXMUAITZJW-VIFPVBQESA-N	288.300	1.723	5	40	CDBB	
CC(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1	4700482	OTEHHZRWGMPOJL-UHFFFAOYSA-N	258.299	1.529	5	40	CDBB	
C[C@H]1C[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C(=O)O1	39983360	BNYDYHYCISOEPY-QUBYGPBYSA-N	255.201	1.817	5	40	CDBB	
NC(=O)c1ccc(N2CCSCC2)c([N+](=O)[O-])c1	48562010	YLVMPAFXLGKKSX-UHFFFAOYSA-N	267.310	1.247	5	40	CDBB	
O=C(Nc1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-]	5642316	LCYDHXZFEYLEOK-UHFFFAOYSA-N	250.189	1.709	5	40	CDBB	
Cc1nn([C@H](C)C(=O)Nc2cnn(C)c2C)cc1[N+](=O)[O-]	2779196	GMVISSFLVZHPNV-SECBINFHSA-N	292.299	1.341	5	40	CDBB	
COc1ccc(C(=O)OCc2nnc(C)o2)cc1[N+](=O)[O-]	24906243	XLPQPNOOYYPDKS-UHFFFAOYSA-N	293.235	1.652	5	40	CDBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C)C1	75582107	CBKULCSQSZWYFH-SECBINFHSA-N	284.337	1.934	5	40	CDBB	
CCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnn[nH]1	95287807	LCBICZIJFVXJMP-JTQLQIEISA-N	290.283	1.379	5	40	CDBB	
CC(C)[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)O	35390929	ZHMPSIDVIAGXMK-NSHDSACASA-N	252.270	1.794	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1NC1CC1	225728181	OSEHKBOARRDSER-UHFFFAOYSA-N	266.213	1.176	5	40	CDBB	
CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1nonc1N	113824	FRELZANCNHSEFN-UHFFFAOYSA-N	277.240	1.113	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CCCc1nnc(N)s1	794782	PAMZPKYFNNUSNX-UHFFFAOYSA-N	268.302	1.166	5	40	CDBB	
Cc1cc(N[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	35056250	ZBDKKZASYCRPCS-JTQLQIEISA-N	270.310	1.502	5	40	CDBB	
Cc1cc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)no1	2782273	OIXHPTTZAVDQNE-UHFFFAOYSA-N	279.256	1.425	5	40	CDBB	
CCC(CC)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	12568567	SDHZBXZXAZPQAX-UHFFFAOYSA-N	253.258	1.202	5	40	CDBB	
Nc1ccc(CN[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-]	95986286	NGAMUHLTTDTDGD-LLVKDONJSA-N	276.340	1.503	5	40	CDBB	
Cc1ccsc1/C=C/c1nc(O)c([N+](=O)[O-])c(=O)[nH]1	9234937	ZFBXTQNLVXVOPZ-NSCUHMNNSA-N	279.277	1.924	5	40	CDBB	
Cn1nnnc1SCc1cccc([N+](=O)[O-])c1	2625956	DWNWLYFWXAUNRY-UHFFFAOYSA-N	251.271	1.411	5	40	CDBB	
O=C(O)[C@]1(Cc2cccc([N+](=O)[O-])c2)CCCN1	4241056	OKQSSUZDNQXGEZ-GFCCVEGCSA-N	250.254	1.344	5	40	CDBB	
C[C@H]1CCC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C	6525601	GWKGSCMXUZSZSH-IVZWLZJFSA-N	280.328	1.883	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)c1nc[nH]n1	95455214	YJFPNHFBYZALSD-ZETCQYMHSA-N	291.267	1.673	5	40	CDBB	
COc1ccc(C(=O)Nc2cnn(C)c2)cc1[N+](=O)[O-]	47530202	YOUUIBCUTALTNS-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
O=C(NCCc1cscn1)c1ccc([N+](=O)[O-])c(O)c1	72290880	VOGNVDIZPLIPBH-UHFFFAOYSA-N	293.304	1.729	5	40	CDBB	
COC(=O)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C	72314280	YEPCBPZPJCEEMV-MRVPVSSYSA-N	295.295	1.976	5	40	CDBB	
CC1CCC(O)(Cn2cc([N+](=O)[O-])ccc2=O)CC1	89922588	YLROEIWLZCSOQY-UHFFFAOYSA-N	266.297	1.698	5	40	CDBB	
CCNC(=N)c1cc([N+](=O)[O-])cc(Br)c1N	228969801	QXTKVVCQNKMBHG-UHFFFAOYSA-N	287.117	1.874	5	40	CDBB	
CNC(=O)[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1	49238490	IVHXMMSJHZDYQR-CYBMUJFWSA-N	277.324	1.348	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2c([N+](=O)[O-])n[nH]c2c1	97965981	KAFWZMLMUCOBRD-UHFFFAOYSA-N	253.130	1.288	5	40	CDBB	
Cc1nnc2nc(-c3cc([N+](=O)[O-])ccc3Cl)[nH]n12	368613	HGIIYGGRHMTAKR-UHFFFAOYSA-N	278.659	1.989	5	40	CDBB	
O=C(NCc1ccncc1)c1csc([N+](=O)[O-])c1	42566476	NMYQLHBJIZDJRO-UHFFFAOYSA-N	263.278	1.981	5	40	CDBB	
C[C@@H](C(=O)NCc1ccncc1)n1cc([N+](=O)[O-])cn1	2743650	HEKDTMHTVUOWMW-VIFPVBQESA-N	275.268	1.064	5	40	CDBB	
Cc1nn(C)c(C(=O)N[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-]	2780946	CDIVITOWIHBMRK-SCZZXKLOSA-N	280.328	1.945	5	40	CDBB	
COC(=O)CCn1cc(Br)c([N+](=O)[O-])n1	12395843	JOZUFBDURKCLCH-UHFFFAOYSA-N	278.062	1.117	5	40	CDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)N1	4321356	ODAGIQIWCQSUQH-RKDXNWHRSA-N	280.284	1.690	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCS(=O)CC2)c(F)c1	69509829	IGPJKNRYSCTTLD-UHFFFAOYSA-N	258.274	1.303	5	40	CDBB	
Cc1nc(N2CCC(n3ccnn3)CC2)ccc1[N+](=O)[O-]	97051333	PKTIJOIESWPSSB-UHFFFAOYSA-N	288.311	1.731	5	40	CDBB	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1	97022883	HQDKUIQVXGKNDV-APPZFPTMSA-N	290.279	1.964	5	40	CDBB	
COC[C@@H](O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc12	97083876	QJZQVQTXOREBTL-NSHDSACASA-N	291.307	1.871	5	40	CDBB	
O=C(NC1CC1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1	72329365	KTWHASUWNAJJAB-UHFFFAOYSA-N	272.264	1.877	5	40	CDBB	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN	79420854	GSBIEVIHEOJTPM-UHFFFAOYSA-N	251.286	1.291	5	40	CDBB	
O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1	100057043	KSKYUERSKUVUJX-WTTBSCSTSA-N	299.286	1.411	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2)n1	40643	PMZWPKTWPDQGSE-UHFFFAOYSA-N	260.253	1.258	5	40	CDBB	
COC[C@@H](C)NC(=O)Nc1ccccc1[N+](=O)[O-]	24234767	GUFSGBDJXQRHDM-MRVPVSSYSA-N	253.258	1.751	5	40	CDBB	
Cc1csc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1	2843595	QTWADUZJYCYOCY-UHFFFAOYSA-N	281.297	1.654	5	40	CDBB	
CC1=C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(COC2=O)N1	68606372	NGHBHPBCPKDDRP-LLVKDONJSA-N	272.260	1.996	5	40	CDBB	
COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C(=O)O)c1	63110850	BFJUWLJOOCIGLJ-LURJTMIESA-N	268.225	1.266	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cnccn1	6126966	GMPMVYNECREBMK-UHFFFAOYSA-N	274.236	1.646	5	40	CDBB	
O=[N+]([O-])c1ccccc1NNC(=S)NC[C@@H]1CCCO1	5127328	SYSASFCDQJQVDB-VIFPVBQESA-N	296.352	1.565	5	40	CDBB	
CCCc1nn(C[C@H](O)c2cccc([N+](=O)[O-])c2)c(=O)o1	95438985	SPIBXPOMGPKSLC-NSHDSACASA-N	293.279	1.431	5	40	CDBB	
C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1	95975215	DBMCUEPUTZVJSS-UWVGGRQHSA-N	278.312	1.154	5	40	CDBB	
Cc1ccc(NC(=O)CN(C)CC(C)(C)O)c([N+](=O)[O-])c1	72285253	MNMTYKPUPYLVMS-UHFFFAOYSA-N	295.339	1.544	5	40	CDBB	
O=[N+]([O-])/C(=C1\CCCCCN1)C(O)(O)c1ccccc1	5681040	HDOQPABNETVEIX-OUKQBFOZSA-N	278.308	1.476	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2F)n1	5054432	NKXCARFTEUWYQF-UHFFFAOYSA-N	278.247	1.891	5	40	CDBB	
CCOC(=O)[C@H](C(C)=O)c1ccc(F)cc1[N+](=O)[O-]	16697935	WHFHDPRMSQTXTM-LLVKDONJSA-N	269.228	1.970	5	40	CDBB	
CCNC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	18704014	HVSUNACEJZKCKH-ZETCQYMHSA-N	299.714	1.503	5	40	CDBB	
NC(=O)c1cc(Cl)c(Sc2ncn[nH]2)c([N+](=O)[O-])c1	70462519	VWWPUQOUUFIUSB-UHFFFAOYSA-N	299.699	1.616	5	40	CDBB	
O=[N+]([O-])C[C@](O)(c1cccnc1F)C(F)(F)F	34883588	CUZCOIIHDQAOAT-ZETCQYMHSA-N	254.139	1.247	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)[n+](=O)c1ccccc1n2O	584905789	VQQLDTLKFSQIQW-UHFFFAOYSA-N	258.213	1.855	5	40	CDBB	
COc1ccc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)cc1	4686728	PJHVALSOIBIQJA-SECBINFHSA-N	290.279	2.000	5	40	CDBB	
O=[N+]([O-])C(Cl)(Cl)C(Cl)(Cl)[N+](=O)[O-]	4994143	VDUMCAJVLOJOCK-UHFFFAOYSA-N	257.844	1.803	5	40	CDBB	
Cc1cccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1	2798913	XQTRZUAHUXQAOL-UHFFFAOYSA-N	274.280	1.530	5	40	CDBB	
CCOC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	4550498	JNQXSTLLSVDCHY-UHFFFAOYSA-N	272.644	1.750	5	40	CDBB	
CC(C)n1cnnc1CNC(=O)c1ccccc1[N+](=O)[O-]	71847116	LQAWOQMRMJKFDY-UHFFFAOYSA-N	289.295	1.697	5	40	CDBB	
NC(=O)[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1	76835131	ZRHSFKKCTOFFTH-JTQLQIEISA-N	286.291	1.455	5	40	CDBB	
O=C(CN1C(=O)CSC1=O)c1ccc([N+](=O)[O-])cc1	35786315	QLRJSLVDLORWMT-UHFFFAOYSA-N	280.261	1.473	5	40	CDBB	
C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1	36594951	ZGSLVNZHHNTCPG-LBPRGKRZSA-N	299.304	1.329	5	40	CDBB	
O=[N+]([O-])c1ccc(NC[C@@H](O)COCC2CC2)c(F)c1	58171665	WNXNAIOQWABTTB-LLVKDONJSA-N	284.287	1.933	5	40	CDBB	
O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1CO	69841888	HWSWNQOSVRDARQ-NSHDSACASA-N	266.297	1.430	5	40	CDBB	
COCCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1	2609896	VNXKJEZIYGIPCR-UHFFFAOYSA-N	268.269	1.045	5	40	CDBB	
CNc1nc(N2C[C@@H](C)C[C@@H](C)C2)nc(N)c1[N+](=O)[O-]	4140221	LFGFGDKYCZDYHJ-OCAPTIKFSA-N	280.332	1.491	5	40	CDBB	
O=C(COC(=O)c1ccco1)Nc1ccccc1[N+](=O)[O-]	5080261	SLETVHOAFSMJRZ-UHFFFAOYSA-N	290.231	1.983	5	40	CDBB	
Cc1n[nH]c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1O	97052549	DGRVGELACGJTKS-UHFFFAOYSA-N	290.279	1.570	5	40	CDBB	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1	97022886	HQDKUIQVXGKNDV-VXNVDRBHSA-N	290.279	1.964	5	40	CDBB	
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1	35153110	RZVBYOJYIZMYAC-SECBINFHSA-N	296.279	1.603	5	40	CDBB	
O=[N+]([O-])c1ccccc1NNC(=S)NC[C@H]1CCCO1	5127331	SYSASFCDQJQVDB-SECBINFHSA-N	296.352	1.565	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1Cc1nc2c(F)cccc2[nH]1	76762410	QAVZLWQJASDZQS-UHFFFAOYSA-N	288.238	1.820	5	40	CDBB	
Cc1ccc(C(=O)N[C@@H]2CCSC2=O)cc1[N+](=O)[O-]	183112	NWATYIRRNAGQDY-SECBINFHSA-N	280.305	1.665	5	40	CDBB	
Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	4254714	FKMFQWURIVAFGN-UHFFFAOYSA-N	270.188	1.471	5	40	CDBB	
CCNCCNc1ncc([N+](=O)[O-])cc1Br	86482118	JSWRPZYHFLOZMI-UHFFFAOYSA-N	289.133	1.774	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CO	97103706	QXYGIWKBFRDFJH-QMMMGPOBSA-N	253.258	1.406	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCCOC[C@H]1CCCO1	96406538	WJUBHKVOOSFZPR-SNVBAGLBSA-N	267.285	1.597	5	40	CDBB	
Cc1ccc(OCC(=O)N2CCO[C@H](C)C2)c([N+](=O)[O-])c1	12784773	LGRYADYQYKGCQR-LLVKDONJSA-N	294.307	1.529	5	40	CDBB	
COc1c(OC(C)=O)cc(Cl)c(C=O)c1[N+](=O)[O-]	1621452	ZTGXEBKIAXZCRD-UHFFFAOYSA-N	273.628	1.995	5	40	CDBB	
CC(C)[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(N)=O	95975063	OGMAHZHSCCFJLR-QMMMGPOBSA-N	272.692	1.565	5	40	CDBB	
CCCN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	409221409	PWWNSVAKONOGHC-RMKNXTFCSA-N	291.263	1.603	5	40	CDBB	
O=C(O)c1cnc(COc2ccccc2[N+](=O)[O-])nc1	217380538	RQKNKQVTXBHNDJ-UHFFFAOYSA-N	275.220	1.662	5	40	CDBB	
CN(CC(=O)N[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-]	96430941	XKCJTXGTTHGYMS-LLVKDONJSA-N	293.323	1.326	5	40	CDBB	
CCCNC(=O)NC(=O)COc1ccccc1[N+](=O)[O-]	6051414	HWFVUMBLEPHWMW-UHFFFAOYSA-N	281.268	1.209	5	40	CDBB	
Cc1cc(NC(=O)[C@@H](C)Cn2cc([N+](=O)[O-])cn2)no1	2791420	IPWSPBDIUCDLDI-ZETCQYMHSA-N	279.256	1.363	5	40	CDBB	
Cc1nc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1	69591337	RTFNWQGREBDMAZ-VOTSOKGWSA-N	273.252	1.673	5	40	CDBB	
CCn1c(=O)c([N+](=O)[O-])c(NC[C@H](C)O)c2ccccc21	5529176	ZDFPPKWVGZXPEO-VIFPVBQESA-N	291.307	1.722	5	40	CDBB	
C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	89895248	KVGOXCQMOASCKG-ONGXEEELSA-N	293.323	1.553	5	40	CDBB	
CCN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1	46465750	BOYQIGWJZIUQCY-UHFFFAOYSA-N	277.324	1.301	5	40	CDBB	
CCS(=O)(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])cn1	71904597	KFMDLHGKKCLOBK-QMMMGPOBSA-N	273.314	1.225	5	40	CDBB	
O=c1[nH]c(/C=C/c2ccc(F)cc2)nc(O)c1[N+](=O)[O-]	8743271	TUNGEXRREXLTDF-ZZXKWVIFSA-N	277.211	1.693	5	40	CDBB	
CCOC(=O)CC(=O)Cc1ccc([N+](=O)[O-])cc1	2518213	UUTYXRRHMODSGX-UHFFFAOYSA-N	251.238	1.660	5	40	CDBB	
COC(=O)c1cc(N2CCC[C@@H](CO)C2)ccc1[N+](=O)[O-]	29248935	KCANTDHKSCIFEU-SNVBAGLBSA-N	294.307	1.590	5	40	CDBB	
Cc1ocnc1CNC(=O)c1ccc([N+](=O)[O-])cc1O	97109081	ZEICNJFXOJDPOI-UHFFFAOYSA-N	277.236	1.527	5	40	CDBB	
Cc1ccc(NC(=O)CN2CCCC2)cc1[N+](=O)[O-]	16445370	ZLIUKQMISDFSHJ-UHFFFAOYSA-N	263.297	1.938	5	40	CDBB	
COc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1Cl	89457497	FGTZESVECKCMHH-UHFFFAOYSA-N	268.660	1.897	5	40	CDBB	
O=[N+]([O-])c1c(NCc2nnc3n2CCC3)nc2ccccn12	25005915	XMKGPICXEZXCEN-UHFFFAOYSA-N	299.294	1.392	5	40	CDBB	
CCC(C(=O)OC)(C(=O)OC)c1ccc([N+](=O)[O-])cc1	6634693	RYEBXZSAGYRIGY-UHFFFAOYSA-N	281.264	1.589	5	40	CDBB	
Cn1ccnc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	77209548	TXHGLSQHCNHQKF-UHFFFAOYSA-N	288.311	1.050	5	40	CDBB	
O=C1CCCN1c1ccc([N+](=O)[O-])c(N2CCCC2=O)c1	40546418	AGTKEZPXUPORPQ-UHFFFAOYSA-N	289.291	1.848	5	40	CDBB	
CCOC(=O)c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1	85385873	CZLBWIVFKGXEQE-UHFFFAOYSA-N	276.252	1.480	5	40	CDBB	
O=[N+]([O-])c1cc(Cl)c2c(c1)S(=O)(=O)N=C(Cl)N2	95096729	MADVNWVGBLRHPR-UHFFFAOYSA-N	296.091	1.957	5	40	CDBB	
O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	18098825	VYHCUDLEIGISHF-BKUVIOGVSA-N	286.243	1.038	5	40	CDBB	
CN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])o1	24470231	IQLISMUJNGNASI-UHFFFAOYSA-N	264.241	1.194	5	40	CDBB	
Cc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)no1	72270806	IOYBWKWSODIBMJ-UHFFFAOYSA-N	277.240	1.608	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1CCCCC1	5039040	MWLDYBYRDGPONM-UHFFFAOYSA-N	293.323	1.453	5	40	CDBB	
O=c1c2cc([N+](=O)[O-])ccc2ncn1CCc1ccncc1	9379436	JFQVGCCDEOVWDW-UHFFFAOYSA-N	296.286	1.942	5	40	CDBB	
Cc1cccc(F)c1NC(=O)Cn1ccc([N+](=O)[O-])n1	95463700	COCJIPDZOACLGY-UHFFFAOYSA-N	278.243	1.878	5	40	CDBB	
Cc1nccn1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	72708	UODDSPDTYHLKEF-GFCCVEGCSA-N	277.280	1.540	5	40	CDBB	
CNC(=O)[C@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-]	26121183	PUEDZUJHRFHTNM-QMMMGPOBSA-N	266.253	1.195	5	40	CDBB	
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)no1	89606778	LMJBKVAKCSMKOC-UHFFFAOYSA-N	289.294	1.754	5	40	CDBB	
O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1	37598061	UMMCFHVNCUVSAC-UHFFFAOYSA-N	250.254	1.644	5	40	CDBB	
C[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	72094762	LJTWJGJYXAIDMI-RDDDGLTNSA-N	298.320	1.137	5	40	CDBB	
O=C(N[C@@H]1CCSC1=O)c1ccc([N+](=O)[O-])cc1	183064	IIHHQQNEHNIBHZ-SECBINFHSA-N	266.278	1.357	5	40	CDBB	
CCS(=O)(=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1	96510035	BVATWAHRLDSNQU-JTQLQIEISA-N	259.283	1.063	5	40	CDBB	
CN(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	5508980	YCOQTLCDVHZYKJ-UHFFFAOYSA-N	285.731	1.930	5	40	CDBB	
C[N+]1(CCC[N+]2(C)C[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2)CCOCC1	17312962	IAGUZLAALPHMBW-OAQHUEAYSA-N	292.467	1.752	5	40	CDBB	
Cc1c(-c2nnc(N)o2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	8655126	RGQRHEOCQZEWPX-UHFFFAOYSA-N	265.185	1.444	5	40	CDBB	
O=C1NC2(CCCC2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	9739609	BJEWPQKPPOIZDZ-UHFFFAOYSA-N	289.291	1.959	5	40	CDBB	
COC(=O)[C@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-]	52121929	DJCASWOLCPTSMU-SNVBAGLBSA-N	268.244	1.876	5	40	CDBB	
CCn1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	558531	GTIHRFBPKFZNQJ-UHFFFAOYSA-N	296.674	1.507	5	40	CDBB	
CN(C(=O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1	95436555	CKZOEDNOTKTTST-LLVKDONJSA-N	250.254	1.737	5	40	CDBB	
O=[N+]([O-])c1cnccc1N1CC[C@@H](CN2CCOCC2)C1	78404008	SCNOIQSXRVLXMU-LBPRGKRZSA-N	292.339	1.148	5	40	CDBB	
C[C@H]1CN(c2c([N+](=O)[O-])ccc3c2CCN3)C[C@H](CO)O1	225516384	GIDNSNKKSPAJOZ-VHSXEESVSA-N	293.323	1.149	5	40	CDBB	
O=C(O)CNc1cc(F)c(Br)cc1[N+](=O)[O-]	85105206	QYPOZGPIHUAWQH-UHFFFAOYSA-N	293.048	1.993	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(C2CC2)C1	13723054	QOGHTGMGNGFJKF-UHFFFAOYSA-N	258.281	1.923	5	40	CDBB	
Cc1nc(C(=O)N(C)C)nn1-c1ccc([N+](=O)[O-])cc1	1397421	MJFSHJHYKJYNTL-UHFFFAOYSA-N	275.268	1.186	5	40	CDBB	
CCC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	6010874	ILGZSKQWIJFKCS-QMMMGPOBSA-N	296.279	1.884	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)C2)nn1C	2777873	UTCALQNXGPRYSR-QMMMGPOBSA-N	266.301	1.509	5	40	CDBB	
COCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	25131252	JXCCRHOHVNSGQP-SECBINFHSA-N	284.337	1.838	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1	26508462	OEVBZFLQEMIXOS-UHFFFAOYSA-N	256.170	1.298	5	40	CDBB	
CC(C)COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	8344949	OYCHVXCZYRGFSU-UHFFFAOYSA-N	294.307	1.914	5	40	CDBB	
Cc1noc(CNC(=O)c2ccccc2[N+](=O)[O-])n1	71847377	LUKGPCUUAYBKNN-UHFFFAOYSA-N	262.225	1.216	5	40	CDBB	
CCC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	39772783	JCSVVCPGIFRSLC-UHFFFAOYSA-N	262.225	1.993	5	40	CDBB	
Cc1nnc(CCNc2cccc(F)c2[N+](=O)[O-])n1C	192887180	YASFZFWULXJQSY-UHFFFAOYSA-N	279.275	1.825	5	40	CDBB	
Cc1ncc2c(n1)N[C@@H](c1ccc([N+](=O)[O-])cc1)NC2	17429547	LUSZVXAVSCONQE-LBPRGKRZSA-N	271.280	1.907	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)[C@@H](O)n1ncnc1S2	545351	YRPGNKJOKGQCKN-MRVPVSSYSA-N	250.239	1.190	5	40	CDBB	
Cc1cc(OCC(=O)NC[C@@H]2CCCO2)ccc1[N+](=O)[O-]	1284487	YHAXLQOALPERAN-LBPRGKRZSA-N	294.307	1.577	5	40	CDBB	
O=C(NCCn1cc([N+](=O)[O-])cn1)c1c(F)cccc1F	2794588	FODIJXLKZAIMLW-UHFFFAOYSA-N	296.233	1.500	5	40	CDBB	
CN1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])CC1	24233096	BCDDQEHIEKNYOF-UHFFFAOYSA-N	264.285	1.374	5	40	CDBB	
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccco1	25464430	YHHICMXFBHXOLT-MRVPVSSYSA-N	264.241	1.262	5	40	CDBB	
C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1	23330383	DQKRVMIQPZILCM-QWRGUYRKSA-N	293.323	1.643	5	40	CDBB	
O=[N+]([O-])c1ncccc1OCc1nnc(C2CC2)o1	48987756	KUXDYIOAOFAOCD-UHFFFAOYSA-N	262.225	1.829	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]2C(=O)O)c([N+](=O)[O-])c1	4054553	VZDCWVDXVPXQSO-MRVPVSSYSA-N	295.251	1.865	5	40	CDBB	
C[C@H](CN1CCN(C)CC1)Nc1ccccc1[N+](=O)[O-]	69847185	XKMCTKSWKMCYLV-GFCCVEGCSA-N	278.356	1.643	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)c(Br)c1	61707411	CMTWNUSNPAPRIA-MRVPVSSYSA-N	287.113	1.928	5	40	CDBB	
CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O	13612378	RBPQXYAXHBXIST-CHWSQXEVSA-N	278.308	1.970	5	40	CDBB	
O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CCCO2)nc1	13838288	SMIQJEYSYKLAEW-SECBINFHSA-N	282.325	1.455	5	40	CDBB	
O=S(=O)(O)c1cccc2c[n+]3ccccc3cc12	4974717	CKSDZSQTNRVQEA-UHFFFAOYSA-O	260.294	1.825	5	40	CDBB	
CSc1nnc(C)n1NC(=O)c1ccccc1[N+](=O)[O-]	6452415	JGFBWVWLXAJCGN-UHFFFAOYSA-N	293.308	1.601	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)C(C)(C)C)c1	32922686	YESDOBKWWZHSOU-UHFFFAOYSA-N	296.279	1.158	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCCNCC2)c2ncccc12	4004483	KWIOJCIONBCCJW-UHFFFAOYSA-N	272.308	1.943	5	40	CDBB	
CCN(CC(=O)NC1CC1)Cc1ccccc1[N+](=O)[O-]	97679533	WCFSQHNGXSKPLX-UHFFFAOYSA-N	277.324	1.695	5	40	CDBB	
Cc1nc(N2CCSC[C@@H]2CO)ccc1[N+](=O)[O-]	95980022	SCRQPTYIUPOFPT-VIFPVBQESA-N	269.326	1.212	5	40	CDBB	
O=C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12	6447862	LVPVFWBIIFCUPN-BDAKNGLRSA-N	292.295	1.292	5	40	CDBB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	363113	VMFSQYFNNBSXEW-NSHDSACASA-N	291.263	1.396	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])Cc1nnnn1C1CC1	32825449	VTOLHAJLOAQISD-UHFFFAOYSA-N	288.311	1.548	5	40	CDBB	
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	100172021	OMOUCINQOUGMPO-FIQHERPVSA-N	286.243	1.038	5	40	CDBB	
O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCCO1)OCO2	57547106	FUUXOAIGISMBRU-JTQLQIEISA-N	280.280	1.592	5	40	CDBB	
CN(C)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59843387	RHNMNEMGXARSQJ-UHFFFAOYSA-N	279.296	1.133	5	40	CDBB	
Cc1cc(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ncn1	58161106	JVMKENZEYFBPHC-GFCCVEGCSA-N	274.280	1.839	5	40	CDBB	
COc1ccc(C(=O)Cn2cnc([N+](=O)[O-])c2)cc1	5285630	VLRXRGUUVJQAJT-UHFFFAOYSA-N	261.237	1.683	5	40	CDBB	
O=[N+]([O-])c1cn[nH]c1N1CCN(c2ccc(F)cc2)CC1	6402490	LHVCDCFFFSPGGW-UHFFFAOYSA-N	291.286	1.784	5	40	CDBB	
C[C@@H](CN1CCN(C)CC1)Nc1ccccc1[N+](=O)[O-]	69847184	XKMCTKSWKMCYLV-LBPRGKRZSA-N	278.356	1.643	5	40	CDBB	
Cc1nc([N+](=O)[O-])c(N2CCC(CCO)CC2)n1C	72269975	MFLBZZFFNSPXBC-UHFFFAOYSA-N	268.317	1.236	5	40	CDBB	
Cc1nc(N2CCOC[C@H]2C2CC2)ccc1[N+](=O)[O-]	97115393	WTQBOUIQMRXPJZ-LBPRGKRZSA-N	263.297	1.913	5	40	CDBB	
COCCOCc1ccc([N+](=O)[O-])cc1C(=O)O	72209189	UQPAKJDARHMZQJ-UHFFFAOYSA-N	255.226	1.456	5	40	CDBB	
CN(C)/C=C/c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C	226795519	JAAOFWXKEKQKTC-AATRIKPKSA-N	276.296	1.318	5	40	CDBB	
O=[N+]([O-])C1(CO)COC2(OC1)C1CC3CC(C1)CC2C3	12362968	MJMLNBVLAOYJIS-UHFFFAOYSA-N	283.324	1.193	5	40	CDBB	
O=C(Cn1nccc1[N+](=O)[O-])OCc1ccccc1	108147602	OVRMZTGAABMBSE-UHFFFAOYSA-N	261.237	1.535	5	40	CDBB	
CNc1ccc(Nc2c([N+](=O)[O-])c(C)nn2C)cn1	95397321	AEHIESLBTTYOTN-UHFFFAOYSA-N	262.273	1.817	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(=O)O)C1	408712889	ZUPMQGNJYPDZBX-MRVPVSSYSA-N	294.263	1.594	5	40	CDBB	
COc1ccc(-c2noc([C@H]3C[C@@H]3[N+](=O)[O-])n2)cn1	78774709	IXIZWWBQHOETSF-YUMQZZPRSA-N	262.225	1.273	5	40	CDBB	
CSc1nnc(C)n1NC(=O)c1cccc([N+](=O)[O-])c1	33546003	OUCJVXKPDUHFFR-UHFFFAOYSA-N	293.308	1.601	5	40	CDBB	
Cc1c(-n2nc(C(=O)O)cc2O)cccc1[N+](=O)[O-]	217702825	YUJXMCXTIFLFJU-UHFFFAOYSA-N	263.209	1.493	5	40	CDBB	
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)CO1	45523646	FYMBGDBJJJGKLL-YUMQZZPRSA-N	254.242	1.437	5	40	CDBB	
CC(=O)NC1=N/C(=C\c2cc([N+](=O)[O-])ccc2O)CN1C	104301216	OVTDIDJXXXQFFO-YHYXMXQVSA-N	290.279	1.079	5	40	CDBB	
COc1ccc(C(=O)O)cc1Cn1ncc([N+](=O)[O-])c1C	34925011	ITXMWRHQYRSOEO-UHFFFAOYSA-N	291.263	1.855	5	40	CDBB	
CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	27588246	OYTKZYRZJKFNSZ-UHFFFAOYSA-N	264.690	1.499	5	40	CDBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(NCc2ccccc2)n1	4306415	XQOROTLNRPWWEL-UHFFFAOYSA-N	288.311	1.645	5	40	CDBB	
CC(C)Oc1nn(C[C@@H](C)C(=O)O)cc1[N+](=O)[O-]	408717390	ZJHRJUTVXFLCOH-SSDOTTSWSA-N	257.246	1.299	5	40	CDBB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(N)=O	5508608	KGZTVQWAXYYIGK-RXMQYKEDSA-N	272.644	1.279	5	40	CDBB	
COc1ccc(=O)n(Cc2ccc(Cl)cc2[N+](=O)[O-])n1	194568698	VNLPYYYJZSICPO-UHFFFAOYSA-N	295.682	1.862	5	40	CDBB	
Cc1c(NC(=O)NC[C@H]2COCO2)cccc1[N+](=O)[O-]	585140668	IOVOKBQYPJEVKA-VIFPVBQESA-N	281.268	1.398	5	40	CDBB	
CC[C@H]1NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	72311031	QAFNPNKNWZBLDA-SECBINFHSA-N	263.253	1.425	5	40	CDBB	
COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2F)c1	12398203	UVWAXCZGQHQSFZ-UHFFFAOYSA-N	265.200	1.706	5	40	CDBB	
O=c1[nH]c2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1	3850815	MWJHDWBEZBWZCJ-UHFFFAOYSA-N	283.243	1.587	5	40	CDBB	
CCOCCCNC(=O)c1cccc([N+](=O)[O-])c1	6464173	YTBXKRPSNJXMAQ-UHFFFAOYSA-N	252.270	1.751	5	40	CDBB	
COc1ccc(NC(=O)CCC(=O)O)cc1[N+](=O)[O-]	11947379	URSZQYOPWBASIQ-UHFFFAOYSA-N	268.225	1.407	5	40	CDBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H](O)C1	35186953	CDWHYQRWAJAHJP-ABZNLYFFSA-N	276.292	1.591	5	40	CDBB	
O=[N+]([O-])c1cn(Cc2noc(-c3ccsc3)n2)cn1	26124725	IGLRJZMUWNUNEM-UHFFFAOYSA-N	277.265	1.951	5	40	CDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)O)C[C@@H](C)O1	15443252	UIPNFRABNZPIBW-RKDXNWHRSA-N	280.280	1.907	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(c3ncccn3)CC2)cn1	9468327	INHCPPVEFCBBDD-UHFFFAOYSA-N	286.295	1.106	5	40	CDBB	
CCc1ccc(C(=O)NCC[C@@H](C)O)cc1[N+](=O)[O-]	76093466	AQHRHBAAADVIEY-SECBINFHSA-N	266.297	1.658	5	40	CDBB	
CS(C)=c1c(=O)c2ccc([N+](=O)[O-])cc2c1=O	409415732	JSBNZLNPABURGU-UHFFFAOYSA-N	251.263	1.404	5	40	CDBB	
O=C(CSc1nccc(=O)[nH]1)c1cccc([N+](=O)[O-])c1	16399774	SYYTZKJXYCTAFH-UHFFFAOYSA-N	291.288	1.653	5	40	CDBB	
CC(C)N(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)C(C)C	2634066	XAQHGMXCLNEAFD-UHFFFAOYSA-N	298.295	1.990	5	40	CDBB	
O=C(O)c1ccn(-c2ccc(F)cc2[N+](=O)[O-])n1	12395472	LQULXIZZTARLFO-UHFFFAOYSA-N	251.173	1.618	5	40	CDBB	
O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	108424367	VVEYUWWRNCWHBF-UHFFFAOYSA-N	285.256	1.687	5	40	CDBB	
COc1ccccc1CNc1ncnc(N)c1[N+](=O)[O-]	3912521	WZVUAOQMUSYBBY-UHFFFAOYSA-N	275.268	1.588	5	40	CDBB	
Cc1n[nH]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1	4597864	BZQANPDIKYKVBE-UHFFFAOYSA-N	293.308	1.752	5	40	CDBB	
Cn1c(CO)nnc1SCc1cc(F)ccc1[N+](=O)[O-]	89741422	DJTQBKWTYOXKAR-UHFFFAOYSA-N	298.299	1.647	5	40	CDBB	
O=C(NCC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-]	44914993	BVUBTSAYIREAKL-JTQLQIEISA-N	264.281	1.894	5	40	CDBB	
COC(=O)c1cnc(-n2cnc(Cl)c2)c([N+](=O)[O-])c1	1889019153	AXRYWGBOWXBOSA-UHFFFAOYSA-N	282.643	1.616	5	40	CDBB	
Cn1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cn1	40139366	PHNFOWAWEMKLFD-UHFFFAOYSA-N	261.241	1.972	5	40	CDBB	
O=c1[nH]cnc2c1cnn2-c1ccc([N+](=O)[O-])cc1	20282528	YFCXTXUHSLKPHQ-UHFFFAOYSA-N	257.209	1.017	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2	29749715	RFFLGLQHJMOYCW-UHFFFAOYSA-N	273.248	1.609	5	40	CDBB	
O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-]	47298427	JTCYRMUNVAIOFA-IYSWYEEDSA-N	253.283	1.236	5	40	CDBB	
COC(=O)C(C(=O)OC)c1ccccc1[N+](=O)[O-]	4072871	YDGNTNNTVUTSQE-UHFFFAOYSA-N	253.210	1.024	5	40	CDBB	
CCOCC(=O)NCCNc1ccccc1[N+](=O)[O-]	9118343	PNBDGRBFPCHRHP-UHFFFAOYSA-N	267.285	1.159	5	40	CDBB	
C[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	158130066	OSTWPHZYQKBOAG-SECBINFHSA-N	263.297	1.433	5	40	CDBB	
Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)no1	6861463	AJHOHCWJICDMQU-UHFFFAOYSA-N	296.670	1.870	5	40	CDBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1	3236434	GXMWBNLKYSZPBZ-LLVKDONJSA-N	276.248	1.651	5	40	CDBB	
O=C(O)CCCNC(=O)c1ccc([N+](=O)[O-])cc1	1631091	MTLNHDZIBNYGRT-UHFFFAOYSA-N	252.226	1.189	5	40	CDBB	
CCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	2625286	CKBFIIQMSYKSTK-UHFFFAOYSA-N	282.252	1.495	5	40	CDBB	
O=C(O)c1ccn(COc2ccccc2[N+](=O)[O-])n1	2537652	OUWIJNSUNBJBBH-UHFFFAOYSA-N	263.209	1.526	5	40	CDBB	
CCn1nccc1NC(=O)COc1ccc([N+](=O)[O-])cc1	12062659	WODVXQQQTJGMKH-UHFFFAOYSA-N	290.279	1.829	5	40	CDBB	
CC(C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1	68593326	VCEHNDGQPCVWOD-UHFFFAOYSA-N	250.254	1.550	5	40	CDBB	in-vitro
Nc1nc(NCCO)nc(NC2CCCCC2)c1[N+](=O)[O-]	6317331	ZNHIOVQHZNAHFQ-UHFFFAOYSA-N	296.331	1.116	5	40	CDBB	
O=[N+]([O-])c1cccc(C2=Nn3cnnc3SC2)c1	6863108	UEEIVAUFSPLFDM-UHFFFAOYSA-N	261.266	1.544	5	40	CDBB	
NCCCn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	408716856	RWLXBGCINUVZOY-UHFFFAOYSA-N	268.195	1.081	5	40	CDBB	
CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@H]1O	72301752	DYYJVADFYIMGBM-NOZJJQNGSA-N	293.323	1.527	5	40	CDBB	
CCCNC(=O)[C@@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-]	32850573	QFSRWSPPGPNKBG-SNVBAGLBSA-N	294.307	1.975	5	40	CDBB	
Cn1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1	5753640	NHWJLXXTKURGKG-UHFFFAOYSA-N	282.647	1.024	5	40	CDBB	
C[C@H](O)CNc1c([N+](=O)[O-])c(=O)oc2ccccc12	4348875	CKMIWVQLBJASPC-ZETCQYMHSA-N	264.237	1.494	5	40	CDBB	
O=[N+]([O-])c1ccc(SC2=NCCN2)c2nonc12	6224734	GGKMNQIRKMCZSC-UHFFFAOYSA-N	265.254	1.182	5	40	CDBB	
O=C(NC[C@H](O)c1ccsc1)c1ccc([N+](=O)[O-])o1	61974999	FJYRIMFCDVIVSK-QMMMGPOBSA-N	282.277	1.713	5	40	CDBB	
COC(=O)[C@@H]1CN(C)C[C@@H]1c1cccc([N+](=O)[O-])c1	217669573	QNTOCBMKRBNBKQ-VXGBXAGGSA-N	264.281	1.413	5	40	CDBB	
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCOCC1	2737745	IPSDETHIBCFNDN-UHFFFAOYSA-N	270.672	1.721	5	40	CDBB	
Cc1nc2c(cnn2-c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1	36928372	OZRINSNFKLYXQF-UHFFFAOYSA-N	271.236	1.325	5	40	CDBB	
C[C@@H]1CN(c2ccc(C=O)cc2[N+](=O)[O-])CCO1	32869753	SDZADVZOFFMRNA-SECBINFHSA-N	250.254	1.632	5	40	CDBB	
CCN1C[C@H](C(=O)OCc2csc([N+](=O)[O-])c2)CC1=O	61170373	XOQVFTHJGKCRLJ-SECBINFHSA-N	298.320	1.568	5	40	CDBB	
CCOC(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	3383659	MCROKLQSCMGGHW-UHFFFAOYSA-N	296.235	1.024	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cc1O	97032316	WPPYAELOOYAGNF-UHFFFAOYSA-N	296.670	1.940	5	40	CDBB	
O=[N+]([O-])c1cccc(C(=S)NCCN2CCOCC2)c1	408572567	KECAWZYXVXPWNT-UHFFFAOYSA-N	295.364	1.192	5	40	CDBB	
COc1ccc(F)c([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])c1	13992170	NYRKYDQLOLYPTG-CMPLNLGQSA-N	268.244	1.431	5	40	CDBB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1[N+](=O)[O-]	195102	SWSBTLFWLIEUNO-NSHDSACASA-N	291.263	1.396	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(OCn2ccc(C(=O)O)n2)c1	2535577	GYDKEMBMWHHRNN-UHFFFAOYSA-N	277.236	1.834	5	40	CDBB	
NC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc23)C1	52393768	KNCPQVVSEGCXKX-SECBINFHSA-N	286.291	1.455	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1NCCN1C[C@@H](C)O[C@H](C)C1	69896112	CHAPEVDOSMIRAW-VXGBXAGGSA-N	294.355	1.819	5	40	CDBB	
CC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CCO1	72274074	PTBQHKSXGCFGSX-SNVBAGLBSA-N	293.323	1.736	5	40	CDBB	
CN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1=O	78650913	ZSBACDJBKQWJFV-ZETCQYMHSA-N	297.698	1.209	5	40	CDBB	
CCc1nnc(Sc2ccc(OC)cc2[N+](=O)[O-])n1N	70462248	HZXLEYWMZRNEMQ-UHFFFAOYSA-N	295.324	1.622	5	40	CDBB	
COc1ccnc(Cn2c([N+](=O)[O-])cnc2C)c1OC	225586540	ZHFHXMMMXUSNGB-UHFFFAOYSA-N	278.268	1.560	5	40	CDBB	
CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1c(F)cccc1F	44979884	CKBQWMILLAEJCQ-MUWHJKNJSA-N	256.208	1.593	5	40	CDBB	
COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C(=O)O)c1	63110851	BFJUWLJOOCIGLJ-ZCFIWIBFSA-N	268.225	1.266	5	40	CDBB	
Nc1nn2c(=O)c3[nH]c4ccc(F)cc4c3nc2s1	4776777	SMTGWQYSYBLSHU-UHFFFAOYSA-N	275.268	1.507	5	40	CDBB	
COC(=O)CCN1Cc2ccc([N+](=O)[O-])cc2C1=O	15412147	WNXSVNOCNAUYNT-UHFFFAOYSA-N	264.237	1.114	5	40	CDBB	
C[C@H]1C[C@H](N2Cc3ccc([N+](=O)[O-])cc3C2)C(=O)O1	72763437	VRLQQPIVXDEBRX-UFBFGSQYSA-N	262.265	1.614	5	40	CDBB	
CC(C)n1cc([N+](=O)[O-])c(I)n1	675030764	AUOMSWAHIJCEHS-UHFFFAOYSA-N	281.053	1.977	5	40	CDBB	
COC[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-]	5674588	QEGSURZXOOKNLU-SECBINFHSA-N	252.270	1.288	5	40	CDBB	
CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F	37285946	LLACNNJGMRRYGM-UHFFFAOYSA-N	255.249	1.025	5	40	CDBB	
CC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2C)c1C	33522	RPRDYCCNASSGEO-UHFFFAOYSA-N	260.253	1.995	5	40	CDBB	
CN(C(=O)Cn1cnc([N+](=O)[O-])c1)C1=CCCC1	26124693	FGNJXEGLOLDMCX-UHFFFAOYSA-N	250.258	1.318	5	40	CDBB	
Nc1ncnc(Oc2ccc(F)cc2)c1[N+](=O)[O-]	3912708	YGTZEPMXFPKPPQ-UHFFFAOYSA-N	250.189	1.898	5	40	CDBB	
O=C(O)c1ccc(Sc2nnc[nH]2)c([N+](=O)[O-])c1	5783198	GWCSTTZLYFJGDF-UHFFFAOYSA-N	266.238	1.562	5	40	CDBB	
O=C(O)/C=C/C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	15422973	FBZOUXLEZLYVKG-ONEGZZNKSA-N	270.628	1.828	5	40	CDBB	
CCc1nnc(COC(=O)c2cc([N+](=O)[O-])ccc2N)o1	9368284	ZBULJKQQNARIBA-UHFFFAOYSA-N	292.251	1.479	5	40	CDBB	
CCCCNc1cc(C)c([N+](=O)[O-])cc1S(N)(=O)=O	72293289	IADCCHHMWZMGER-UHFFFAOYSA-N	287.341	1.763	5	40	CDBB	
C[C@H]1CCCC[C@@H]1NCCn1ccc([N+](=O)[O-])n1	97096427	SMNFUNRHPMXVMV-QWRGUYRKSA-N	252.318	1.960	5	40	CDBB	
C[S@](=O)CCNCc1cc(Cl)ccc1[N+](=O)[O-]	95399865	ISVXXRQVSJURJW-QGZVFWFLSA-N	276.745	1.716	5	40	CDBB	
CN(Cc1cccc([N+](=O)[O-])c1)Cc1ncnn1C	75024287	QSOFFGUPHKBJLK-UHFFFAOYSA-N	261.285	1.355	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC[C@H]2CN2CCOCC2)cc1	160392793	VEVNDORWOBFOHL-HNNXBMFYSA-N	291.351	1.896	5	40	CDBB	
COc1ccc(-c2ccc(C(N)=O)o2)c([N+](=O)[O-])c1	20136257	QOMHQYQCTIVGSE-UHFFFAOYSA-N	262.221	1.962	5	40	CDBB	
O=c1cc(NCc2c(Cl)cccc2[N+](=O)[O-])[nH]c(=O)[nH]1	1750724	TZDQNVYJEWYSSX-UHFFFAOYSA-N	296.670	1.237	5	40	CDBB	
COC(=O)c1cccc(Cn2cnc([N+](=O)[O-])n2)c1	551119	XICVJHWVDUIFOS-UHFFFAOYSA-N	262.225	1.021	5	40	CDBB	
COC(=O)CNc1nc2ccc([N+](=O)[O-])cc2s1	59483310	KCKIVMOXQFLKIG-UHFFFAOYSA-N	267.266	1.789	5	40	CDBB	
CC1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)CC1	3234170	QHDVTCHTZBSLBM-UHFFFAOYSA-N	296.279	1.603	5	40	CDBB	
Cc1c(F)cc(S(=O)(=O)NCC(F)F)cc1[N+](=O)[O-]	97163794	ZPYRWAVJEYLEAS-UHFFFAOYSA-N	298.242	1.586	5	40	CDBB	
CSCC[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)O	62717973	ODQGOEDRXIJFOL-NSHDSACASA-N	284.337	1.891	5	40	CDBB	
O=C1CCN[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1	408736609	DTVSSCUCPOYYDW-JTQLQIEISA-N	255.661	1.356	5	40	CDBB	
Cc1nc(N2CCSC[C@H]2CO)ccc1[N+](=O)[O-]	95980023	SCRQPTYIUPOFPT-SECBINFHSA-N	269.326	1.212	5	40	CDBB	
NC(=O)Cn1cc(Nc2ncc(Cl)cc2[N+](=O)[O-])cn1	153605462	SVGYELRHENGGAK-UHFFFAOYSA-N	296.674	1.069	5	40	CDBB	
C[C@H]1CN(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCO1	11454815	NFLZXZKQKRFYQP-JTQLQIEISA-N	293.323	1.522	5	40	CDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)n2cccn2)c1	13948090	BSXAIECCDWYSEI-UHFFFAOYSA-N	253.239	1.028	5	40	CDBB	
Cc1cnc(N2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1	78664059	SJTZNDBHJJCICU-NSHDSACASA-N	281.312	1.276	5	40	CDBB	
CN1CCN(c2c(Cl)cc(C(=O)O)cc2[N+](=O)[O-])CC1	70462665	QRAFSYDPSDQMND-UHFFFAOYSA-N	299.714	1.698	5	40	CDBB	
COC(=O)c1ccc(N2CCCCC2=O)c([N+](=O)[O-])c1	199822175	APWRHYRXSZWNPQ-UHFFFAOYSA-N	278.264	1.898	5	40	CDBB	
C[C@@H](C[S@@](C)=O)N(C)c1cccc(F)c1[N+](=O)[O-]	225601752	OXUKTHRBHBRFRN-DCXZOGHSSA-N	274.317	1.937	5	40	CDBB	
COc1ccc(CSC[C@H](N)C(=O)O)cc1[N+](=O)[O-]	522354	VNVYZMGTQQSWOH-QMMMGPOBSA-N	286.309	1.249	5	40	CDBB	
O=C(C1CCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	75141797	WPQHHZZBUARNSG-NSHDSACASA-N	290.323	1.803	5	40	CDBB	
CCOC(=O)c1coc(C[N+]2(C)CCOCC2)c1	3066117	LBXRZECPRNABDO-UHFFFAOYSA-N	254.306	1.433	5	40	CDBB	
CC(=O)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	48345408	CXHICXKJPXCWKM-SSDOTTSWSA-N	251.242	1.058	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(c3cnccn3)CC2)nc1	14320025	UGQRCHCYIJQPIG-UHFFFAOYSA-N	286.295	1.106	5	40	CDBB	
NS(=O)(=O)c1cccc(N[C@@H]2C=CCCC2)c1[N+](=O)[O-]	97376193	LXKPISQPAOTCQU-SECBINFHSA-N	297.336	1.763	5	40	CDBB	
CC1(C)CC(=O)N(CC(=O)O)c2ccc([N+](=O)[O-])cc21	72220947	WRUAICXENTZSDU-UHFFFAOYSA-N	278.264	1.694	5	40	CDBB	
CCOc1ccc(-c2nnc(N)o2)cc1[N+](=O)[O-]	75484423	WAKIMCHMRHDOGG-UHFFFAOYSA-N	250.214	1.626	5	40	CDBB	
CCc1nc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])sc1C	44702005	GDIWJXNHXQOJCU-XPUUQOCRSA-N	255.299	1.618	5	40	CDBB	
CCOC[C@H](O)COc1cc(C)ccc1[N+](=O)[O-]	193824636	WTMXASIPYPGGSD-JTQLQIEISA-N	255.270	1.679	5	40	CDBB	
CC[N+](C)(CC)CCN1C(=O)c2ccccc2S1(=O)=O	1677233	RSEZBWBZGLQJNM-UHFFFAOYSA-N	297.400	1.318	5	40	CDBB	in-vitro
COC(=O)c1ccoc1Cn1cc([N+](=O)[O-])ccc1=O	23442025	WAQOBLGDFNBRDR-UHFFFAOYSA-N	278.220	1.184	5	40	CDBB	
CCCCOc1nc(N2CCOCC2)nc(C)c1[N+](=O)[O-]	4994537	UJELOCWXISLRSG-UHFFFAOYSA-N	296.327	1.709	5	40	CDBB	
CCOC(=O)CCCCn1cc([N+](=O)[O-])ccc1=O	71916008	VCFCZYNBCUULLM-UHFFFAOYSA-N	268.269	1.490	5	40	CDBB	
CCN1CCC(N(C)c2ccncc2[N+](=O)[O-])CC1	72281893	SWKDPGWMXLTQEV-UHFFFAOYSA-N	264.329	1.910	5	40	CDBB	
C[S@](=O)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1	76772795	RGNBUDSANTXZMK-LJQANCHMSA-N	285.325	1.485	5	40	CDBB	
CN(C)c1noc(CNC(=O)c2csc([N+](=O)[O-])c2)n1	193884808	VFSNONUNIBTAGZ-UHFFFAOYSA-N	297.296	1.035	5	40	CDBB	
COC(=O)c1ccc([N+](=O)[O-])c(N)c1Br	575727328	XDYIJPZKDUGXKE-UHFFFAOYSA-N	275.058	1.726	5	40	CDBB	
COc1ccc(OC)c(C(=O)Cn2cnc([N+](=O)[O-])c2)c1	903612	NXOQLLBNGUNDBL-UHFFFAOYSA-N	291.263	1.691	5	40	CDBB	
Nc1ncc2nc3c4ccccc4c(=O)cc-3oc2n1	1577990	WESKLQRCJAYYJV-UHFFFAOYSA-N	264.244	1.818	5	40	CDBB	
CC(C)c1nnc(Sc2c([N+](=O)[O-])ncn2C)n1C	69367027	AZXDAIVYRKREFI-UHFFFAOYSA-N	282.329	1.731	5	40	CDBB	
Nc1c([N+](=O)[O-])cc(Br)c2nsnc12	4657285	JIWFREVMARAWNJ-UHFFFAOYSA-N	275.087	1.944	5	40	CDBB	
Cc1cc(=O)n(CCN2CCCCC2)cc1[N+](=O)[O-]	89568490	BXIQFVKGDALSFR-UHFFFAOYSA-N	265.313	1.551	5	40	CDBB	
COc1ccc(OC)c([N+](=O)[O-])c1/C=C/[N+](=O)[O-]	3138440	PSBWJWZJTFUALX-AATRIKPKSA-N	254.198	1.859	5	40	CDBB	
CN(Cc1ccco1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	12765914	PILHFEVXASONCM-UHFFFAOYSA-N	291.263	1.008	5	40	CDBB	
C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])cc1	69508248	PQBMAYFXASRMFB-JQWIXIFHSA-N	277.324	1.681	5	40	CDBB	
CC(=O)O[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCCO2	4134356	FZOJFWDYILFQBB-SSDOTTSWSA-N	267.237	1.990	5	40	CDBB	
COc1ccc([C@@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1	370153	CWVUNEIBYOPJHQ-JTQLQIEISA-N	263.253	1.557	5	40	CDBB	
O=[N+]([O-])c1cnn(-c2ccc(F)cc2[N+](=O)[O-])c1	12980794	DOXQLDZLGIQOIL-UHFFFAOYSA-N	252.161	1.828	5	40	CDBB	
COc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	4311558	FLDSTPMDUIIEGH-UHFFFAOYSA-N	278.224	1.756	5	40	CDBB	
COc1ccc(NC(=O)NC[C@H](C)O)c([N+](=O)[O-])c1	14201674	WUEVSSCOOPAGJW-ZETCQYMHSA-N	269.257	1.106	5	40	CDBB	
Cc1ccc(C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	19892190	DYQYWORUNRWKRG-UHFFFAOYSA-N	263.297	1.291	5	40	CDBB	
CCC1(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1	97082647	CAVVJGVWPHLWAL-UHFFFAOYSA-N	299.352	1.844	5	40	CDBB	
Cc1cc(N2CCNC(=O)C2)c2cc([N+](=O)[O-])ccc2n1	97083748	BGOVKJAZKGHGJT-UHFFFAOYSA-N	286.291	1.388	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(CC3(O)CCC3)CC2)cc1	79096587	LFUQJFWZEHQKNQ-UHFFFAOYSA-N	291.351	1.632	5	40	CDBB	
C[C@H]1Cc2ccccc2N1C(=O)Cn1nccc1[N+](=O)[O-]	47169236	QVRAZCWKFLNAKL-JTQLQIEISA-N	286.291	1.769	5	40	CDBB	
CC[C@@H]([C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96519478	WHHKIQMMQAZDGY-QWRGUYRKSA-N	273.310	1.451	5	40	CDBB	
CCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	5708034	LNJAGONGXRSUHR-UHFFFAOYSA-N	258.299	1.592	5	40	CDBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCCCC1	19346344	CGYBICLOHDTLAD-UHFFFAOYSA-N	289.291	1.634	5	40	CDBB	
NC(=O)Nc1cc(Br)ccc1[N+](=O)[O-]	1889122759	FWTZVWYOJGSOFK-UHFFFAOYSA-N	260.047	1.848	5	40	CDBB	
CC[C@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	31807281	NHROGRCUMZLJBN-VIFPVBQESA-N	276.296	1.859	5	40	CDBB	
C[C@H]1C[C@@H]1C(=O)NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1	109049125	ILAHTDREINJOAK-NDMJEZRESA-N	294.307	1.107	5	40	CDBB	
Nc1nc(SCCOc2ccc([N+](=O)[O-])cc2)n[nH]1	6132731	ZKPRWFLJUAQRDI-UHFFFAOYSA-N	281.297	1.466	5	40	CDBB	
CCOC(=O)C1=C(O)C(=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1	6655272	KLCGPXXITDDILW-LLVKDONJSA-N	293.231	1.568	5	40	CDBB	
O=C1OCCN1CCSc1ncccc1[N+](=O)[O-]	89774279	KBLMMXCYRRXQEM-UHFFFAOYSA-N	269.282	1.534	5	40	CDBB	
N[C@@H](CC(=O)O)c1cc([N+](=O)[O-])ccc1OC(F)F	44215791	RKQLRNNYRJHVIK-ZETCQYMHSA-N	276.195	1.671	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C1CCCCC1	49446184	VGRPDJWZDAONPD-UHFFFAOYSA-N	280.328	1.891	5	40	CDBB	
CCOc1cccc(N2CCN(C)C(=O)C2)c1[N+](=O)[O-]	195563852	VJMFLLOBPNGQRU-UHFFFAOYSA-N	279.296	1.272	5	40	CDBB	
C[C@@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)[S@@](C)=O	97103723	LYBYAJXTPUUHCI-LXGOIASLSA-N	299.352	1.873	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCOCC2)c2ccncc12	8150771	PRCWJPDIULCBKW-UHFFFAOYSA-N	259.265	1.980	5	40	CDBB	
O=C1[C@H]2CCCN2C(=O)N1c1ccc([N+](=O)[O-])cc1	6512493	YBVPBJJXZLGPPB-SNVBAGLBSA-N	261.237	1.526	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1	4054649	YMPGSUOBBQXLSJ-UHFFFAOYSA-N	267.241	1.648	5	40	CDBB	
Cc1ccnc(NC[C@H]2CCN(C)C(=O)C2)c1[N+](=O)[O-]	425270678	WPNKJRRXFKFWAE-JTQLQIEISA-N	278.312	1.579	5	40	CDBB	
O=C(CNC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	4994155	PELHNBZVKBQEJE-UHFFFAOYSA-N	299.286	1.963	5	40	CDBB	
CC[N+](C)(CC)CCOC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	104184225	VAWLLNDWJKBKHF-QNSTZXKLSA-N	296.387	1.214	5	40	CDBB	
CCOC(=O)[C@@H](C)CNc1ccc([N+](=O)[O-])cn1	75105351	YVKWNKXBOKISJQ-QMMMGPOBSA-N	253.258	1.601	5	40	CDBB	
O=C(O)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2	8555433	CIKGWLMBQJIERA-RFZWMSCOSA-N	292.295	1.566	5	40	CDBB	
CCOC(=O)c1cnc(OC)c([N+](=O)[O-])c1Cl	72137452	OEGBHWXKKYNQGK-UHFFFAOYSA-N	260.633	1.829	5	40	CDBB	
CC(C)[C@H](N)c1n[nH]c(COc2ccc([N+](=O)[O-])cc2)n1	95534752	QHWMJNLAAGEFDI-LBPRGKRZSA-N	291.311	1.948	5	40	CDBB	
C[C@H](CO)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1	96452673	PNENSUMQEBZNAO-ZCFIWIBFSA-N	262.212	1.989	5	40	CDBB	
CC(=O)N1c2cc([N+](=O)[O-])ccc2NC(=O)C[C@H]1C	5515771	KCNFKCGGUOHIJR-SSDOTTSWSA-N	263.253	1.678	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2noc(Cn3ccnc3)n2)c1	40511234	XZDQOVQZEHEYNL-UHFFFAOYSA-N	271.236	1.890	5	40	CDBB	
Cc1nn(CCC(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	2782136	SNLNPQOTROXCKZ-SNVBAGLBSA-N	280.328	1.748	5	40	CDBB	
O=[N+]([O-])c1ccc([C@@H](O)CCN2CCOCC2)cc1	31912167	NJUXTAFGCSOFLR-ZDUSSCGKSA-N	266.297	1.351	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(F)c(F)c1	48211118	ZYGSHZMPNASFGG-UHFFFAOYSA-N	283.194	1.103	5	40	CDBB	
Nc1c(Br)cnc(Cl)c1[N+](=O)[O-]	96105094	SIFNHCBGPOJHHZ-UHFFFAOYSA-N	252.455	1.988	5	40	CDBB	in-vitro
CC(C)Cn1ccnc1CNc1ncc([N+](=O)[O-])c(N)n1	76063842	GLEJMFIDIAZUCI-UHFFFAOYSA-N	291.315	1.432	5	40	CDBB	
COC(=O)[C@H](OC)Oc1cc(OC)ccc1[N+](=O)[O-]	16215404	VXACZFMHEVLJFB-LLVKDONJSA-N	271.225	1.128	5	40	CDBB	
CCCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	37326168	JWSIARCAIFPJNT-UHFFFAOYSA-N	274.298	1.379	5	40	CDBB	
O=[N+]([O-])c1cccnc1S(=O)(=O)c1ccccn1	6240728	YNKBPOMJANIPEO-UHFFFAOYSA-N	265.250	1.218	5	40	CDBB	
O=C(CCn1ccc([N+](=O)[O-])n1)NC1CCCCC1	2780304	DIEYNVQVYURPEV-UHFFFAOYSA-N	266.301	1.630	5	40	CDBB	
COC(=O)[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)OC	59483315	YFXYWYNCTPYWRU-VIFPVBQESA-N	297.292	1.762	5	40	CDBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	44359348	DTXBDFLFWSFQOT-FXAINCCUSA-N	293.279	1.779	5	40	CDBB	
Cn1nnnc1SCCNCc1ccc([N+](=O)[O-])cc1	16363669	FNPULGNMPROZFV-UHFFFAOYSA-N	294.340	1.000	5	40	CDBB	
COc1cc(/C=C/[N+](=O)[O-])c([N+](=O)[O-])cc1OC	1686240	LUCVJGSTUQBGFD-ONEGZZNKSA-N	254.198	1.859	5	40	CDBB	
CCOC(=O)[C@H]1Oc2ccc([N+](=O)[O-])c3c2[C@]1(O)CCC3	1617859	AIZMJZINKYFYRF-TZMCWYRMSA-N	293.275	1.443	5	40	CDBB	
Nc1ncc([N+](=O)[O-])c(Oc2ccccc2F)n1	6528792	XSDJTRCTEJUXOH-UHFFFAOYSA-N	250.189	1.898	5	40	CDBB	
C[C@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-]	2738479	NBXCVNZSOKGOHE-QMMMGPOBSA-N	252.274	1.343	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)O)CC1	3884399	LIARZWMNGSKJPA-UHFFFAOYSA-N	294.263	1.594	5	40	CDBB	
CC(C)[C@@H](N)c1n[nH]c(-c2cc([N+](=O)[O-])ccc2O)n1	95534801	ZJXBWDCBTNPLNM-SNVBAGLBSA-N	277.284	1.741	5	40	CDBB	
C[C@@](Cl)(C(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96518309	BSPMBRBCNHDGBS-JTQLQIEISA-N	291.712	1.777	5	40	CDBB	
CN[C@@H](Cc1ccc(F)c([N+](=O)[O-])c1)C(=O)OC	675082151	GCJHNDHGHCJICX-VIFPVBQESA-N	256.233	1.037	5	40	CDBB	
O=c1c2ccccc2nc2ccc(N3CCOCC3)nn12	5152284	KRPNMJXQNSRRPZ-UHFFFAOYSA-N	282.303	1.079	5	40	CDBB	
Cc1cccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)n1	4686639	NFQUIEVQHKBGOR-VIFPVBQESA-N	275.268	1.694	5	40	CDBB	
CC(=O)c1ccc(Oc2ncnc(N)c2[N+](=O)[O-])cc1	3912711	RKYJPLWVYRPNHW-UHFFFAOYSA-N	274.236	1.962	5	40	CDBB	
CC[C@@](C)(O)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC	66157260	PYAUROQFIZCKPX-CYBMUJFWSA-N	297.311	1.886	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1O[C@@H]1CCCNC1	14631826	QEBKZQAKWIAEHV-SNVBAGLBSA-N	252.270	1.734	5	40	CDBB	
C[C@@H]1CC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)O1	92558787	MLTFWOQTGGOMJW-RKDXNWHRSA-N	294.307	1.986	5	40	CDBB	
Cc1cnc(NCCN2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	78628742	ZUEBKTHCNGLISC-TXEJJXNPSA-N	294.355	1.819	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2nsc(N3CCNCC3)n2)c1	216643138	BWFSDKRHFDEEGF-UHFFFAOYSA-N	291.336	1.523	5	40	CDBB	
COc1cccc(NCCc2ccn(C)n2)c1[N+](=O)[O-]	228863055	FITJHNDKTGXMOI-UHFFFAOYSA-N	276.296	1.992	5	40	CDBB	
O=[N+]([O-])CS(=O)(=O)c1ccc(Br)cc1	100943834	XSYSLPHTIRTSIJ-UHFFFAOYSA-N	280.099	1.457	5	40	CDBB	
CN(CCc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1	71907397	VNRMBDGVYFMKTO-UHFFFAOYSA-N	293.367	1.401	5	40	CDBB	
O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCC1	97081698	FPJCFCSBBHCWAQ-CYBMUJFWSA-N	289.291	1.710	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(CO)CC1	49461866	LNNURQCDJNXEHB-UHFFFAOYSA-N	264.281	1.026	5	40	CDBB	
O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)C(F)F	604221512	FRSWXXDPGYXDKB-UHFFFAOYSA-N	255.173	1.730	5	40	CDBB	
CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4965017	UGNQUUSJUZAQED-UHFFFAOYSA-N	272.644	1.750	5	40	CDBB	
COc1ccc(CN(C)[C@H]2CCOC2=O)cc1[N+](=O)[O-]	69323023	WRFFHPRQLKQKFM-JTQLQIEISA-N	280.280	1.351	5	40	CDBB	
O=c1ccnc(/C=C/c2cc(O)ccc2[N+](=O)[O-])[nH]1	89769894	HSDCQHZOSBIZRD-DAFODLJHSA-N	259.221	1.554	5	40	CDBB	
COCC(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1	57139161	RXMOQQYYNSIXFP-UHFFFAOYSA-N	297.286	1.029	5	40	CDBB	
O=[N+]([O-])c1ccc(SN2CCOCC2)c([N+](=O)[O-])c1	2260572	JFARSIASYIAFPM-UHFFFAOYSA-N	285.281	1.842	5	40	CDBB	
COc1ccc(Cn2cc(C(=O)O)c([N+](=O)[O-])n2)cc1	408717107	VUNRRRJDRNDHOX-UHFFFAOYSA-N	277.236	1.546	5	40	CDBB	
COc1ccc(OC)c(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1	6412885	ASMJGRFQONNYOS-UHFFFAOYSA-N	292.251	1.587	5	40	CDBB	
COCCCNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]	4661087	XFXKOSJAORNGQZ-UHFFFAOYSA-N	270.245	1.534	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1N1CCN(CC(F)F)CC1	69743155	LJOYCJQUBJSZDZ-UHFFFAOYSA-N	286.282	1.685	5	40	CDBB	
Cc1cnc(N(CCO)Cc2cccnc2)c([N+](=O)[O-])c1	78967060	NPXQXZMHLAXNBM-UHFFFAOYSA-N	288.307	1.692	5	40	CDBB	
CCOC(=O)[C@@H]1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1	98072832	WEOYSEACMSRQOC-QWRGUYRKSA-N	282.321	1.862	5	40	CDBB	
C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1(C)C	95940364	NBXDQXQBWSCUII-JTQLQIEISA-N	280.328	1.686	5	40	CDBB	
O=C(CN1CCOCC1)c1cccc([N+](=O)[O-])c1	34988950	XKQIXZOKOAWOIY-UHFFFAOYSA-N	250.254	1.110	5	40	CDBB	
COc1cc(N(C)C[C@H](C)O)c([N+](=O)[O-])cc1F	225505207	PIBSCVKNGQPSNE-ZETCQYMHSA-N	258.249	1.560	5	40	CDBB	
CC1=NN(c2ccccc2)C(=O)[C@@]12[C@@H](C)[C@H]2[N+](=O)[O-]	5377152	SIWDEOAYYTUWNB-KDDOJWQBSA-N	259.265	1.691	5	40	CDBB	
CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1	42556	OMAPMMFECXIKPB-MRVPVSSYSA-N	252.274	1.723	5	40	CDBB	
O=c1[nH]c(/C=C\c2ccccc2F)nc(O)c1[N+](=O)[O-]	9010299	NDIQFNZVXOWNTG-WAYWQWQTSA-N	277.211	1.693	5	40	CDBB	
O=C(O)[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1	22163110	VECOVUPMXNDMBT-JTQLQIEISA-N	264.237	1.284	5	40	CDBB	
CN(CC1CCC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	97115326	IUDXARJQZVQVPN-UHFFFAOYSA-N	299.352	1.479	5	40	CDBB	
CCOC(=O)c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1	85385661	ZULSJMVGWFZXRD-UHFFFAOYSA-N	262.225	1.557	5	40	CDBB	
Cc1ccc(NC[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1	95428403	DVNDPKHOPUKWNP-GFCCVEGCSA-N	295.339	1.008	5	40	CDBB	
CN1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	4859549	XQXPZDHKPOYYQF-UHFFFAOYSA-N	280.284	1.645	5	40	CDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)N1	2788606	HNPKDEDJNOBPTB-GXSJLCMTSA-N	265.225	1.191	5	40	CDBB	
O=C(O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	15443060	JKTHVFRONFGBAF-MRVPVSSYSA-N	251.242	1.291	5	40	CDBB	
CON(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	11594789	VQGDKFWSDVXCNX-UHFFFAOYSA-N	293.323	1.831	5	40	CDBB	
C[C@@H]1CN=C(NC(=O)c2ccc([N+](=O)[O-])cc2)S1	318166	XKHTZIFDTDEOTE-SSDOTTSWSA-N	265.294	1.816	5	40	CDBB	
Cc1nn2c(CCCC(=O)O)nc3ccccc3c2nc1=O	32934904	YGOLATISDMWURP-UHFFFAOYSA-N	298.302	1.353	5	40	CDBB	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCSC[C@@H]12	13690217	FLBRQVBTNGJUMJ-PWSUYJOCSA-N	294.332	1.774	5	40	CDBB	
O=C(O)c1conc1[C@H](O)c1ccc([N+](=O)[O-])cc1	504747127	NBUAPIAFWOUWIP-SNVBAGLBSA-N	264.193	1.363	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1-n1cnnc1	216754533	AVDDTAZLRJTTQG-UHFFFAOYSA-N	289.295	1.321	5	40	CDBB	
COC(=O)CCNC(=O)Nc1ccccc1[N+](=O)[O-]	40461107	CNMSAYJWWBIGIC-UHFFFAOYSA-N	267.241	1.279	5	40	CDBB	
C[C@H]1CCC[C@@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	195562715	JAPFIRDWBMDHAF-IUCAKERBSA-N	299.352	1.843	5	40	CDBB	
O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H](CO)C3)nc2c1	91355814	MBHXVRFNKRFSLZ-SECBINFHSA-N	276.296	1.680	5	40	CDBB	
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCC1	42507486	GGQSDSBWQOOUHE-VIFPVBQESA-N	267.285	1.402	5	40	CDBB	
Cn1cnnc1SCC(=O)c1cc([N+](=O)[O-])cs1	12139003	DYYTYUQFOUWMBB-UHFFFAOYSA-N	284.322	1.760	5	40	CDBB	
Cc1ccnc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)c1	2785778	VHDHRIKGIBOSNK-SECBINFHSA-N	275.268	1.694	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1cccn1	32601868	WNEOYLVCCLWWRF-UHFFFAOYSA-N	267.266	1.337	5	40	CDBB	
CCC(CC)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	9885510	BYHVDVCUOFSERH-UHFFFAOYSA-N	268.317	1.713	5	40	CDBB	
O=c1c([N+](=O)[O-])cccn1Cc1cccc([N+](=O)[O-])c1	72282626	GQBUVQAUTNLDIW-UHFFFAOYSA-N	275.220	1.713	5	40	CDBB	
COc1cc2ncc3c(=O)nc(N)sc3c2cc1OC	64873623	AQHPJUIQMRDPBQ-UHFFFAOYSA-N	289.316	1.804	5	40	CDBB	
CN(Cc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCS(=O)(=O)C1	575422265	UIWHXMXGWUMWBY-ZDUSSCGKSA-N	298.364	1.604	5	40	CDBB	
O=[N+]([O-])c1cnc2c(c1)CN(CCn1ccnc1)CC2	97373840	DVQLHLMAIGOSLD-UHFFFAOYSA-N	273.296	1.245	5	40	CDBB	
C[C@@H]1CCCCN1C(=O)c1c([N+](=O)[O-])cnn1C	483035	NGPXOIBIGKNASZ-MRVPVSSYSA-N	252.274	1.343	5	40	CDBB	
Cc1ccc[nH]/c1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1	4289705	LCPGMVLPXNCEQP-UHFFFAOYSA-N	293.304	1.521	5	40	CDBB	
Cc1noc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n1	69536943	PMKYHUFEPOXPKA-UHFFFAOYSA-N	262.225	1.847	5	40	CDBB	
O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	36046389	LOSCZVODBPQGOD-IWDIQUIJSA-N	286.243	1.038	5	40	CDBB	
O=C(NC1CC1)[C@H]1CCCN1c1cccc(F)c1[N+](=O)[O-]	134894697	UMVJMZNMKWYEPS-GFCCVEGCSA-N	293.298	1.981	5	40	CDBB	
C[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1	195529584	ILAHTDREINJOAK-XWIASGKRSA-N	294.307	1.107	5	40	CDBB	
O=[N+]([O-])c1ccc2sc(N[C@H]3CCNC3)nc2c1	91351689	SENPJNVYZIFTAG-ZETCQYMHSA-N	264.310	1.978	5	40	CDBB	
O=c1[nH]c(O)nc(/C=C\c2ccccc2)c1[N+](=O)[O-]	17039776	ITFUSTYTUCGMEV-SREVYHEPSA-N	259.221	1.554	5	40	CDBB	
CCOC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1	115333	HKBBGDLJNRPCMG-UHFFFAOYSA-N	263.209	1.822	5	40	CDBB	
CN(C)c1snnc1C(=O)Nc1cccc([N+](=O)[O-])c1	1416869	UITTUGNFAJPCLB-UHFFFAOYSA-N	293.308	1.765	5	40	CDBB	
O=c1[nH]n2c(=O)c3ccccc3nc2c2ccccc12	364066	ZTLLFUWIPJIXPH-UHFFFAOYSA-N	263.256	1.689	5	40	CDBB	
O=[N+]([O-])c1cc(Br)ccc1OC1CNC1	42769703	JBIQIBUVKUNXDH-UHFFFAOYSA-N	273.086	1.708	5	40	CDBB	
CCN(CC)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	12608863	URBLORGQMBWBAR-UHFFFAOYSA-N	273.314	1.208	5	40	CDBB	
O=[N+]([O-])c1c(NC[C@H]2CCCO2)nc2sccn12	9466400	XLWSDLPHAHWIKB-SSDOTTSWSA-N	268.298	1.895	5	40	CDBB	
Cn1cc([C@](C)(O)CNc2ccc([N+](=O)[O-])cc2)cn1	72294831	BULGFPJEUMSSTM-CYBMUJFWSA-N	276.296	1.648	5	40	CDBB	
CCNC(=O)C(C)(C)CNCc1cccc([N+](=O)[O-])c1	95430931	REJFNFLSAGDASI-UHFFFAOYSA-N	279.340	1.847	5	40	CDBB	
CCn1c(=O)c2ccc3[nH]c(=O)c4ccc(c1=O)c2c34	11691487	RNXGTLGUACFJPH-UHFFFAOYSA-N	266.256	1.252	5	40	CDBB	
COC(=O)C12CC3C[C@@H](C1)C([N+](=O)[O-])([N+](=O)[O-])[C@@H](C3)C2	100702824	YDTIVVNGPGKAFR-QMFGVRBNSA-N	284.268	1.235	5	40	CDBB	
CCN(CC)C[C@H](C)NC(=O)c1nn(C)c(C)c1[N+](=O)[O-]	2781177	YSWHVJXIDFDNAD-VIFPVBQESA-N	297.359	1.097	5	40	CDBB	
Cc1c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cnn1C	25006695	QTNAWUZXLSJSJJ-ZETCQYMHSA-N	278.268	1.721	5	40	CDBB	
CC(=O)Nc1cc(SCCO)cc([N+](=O)[O-])c1	2113320	JFUUEVZZCPLXHI-UHFFFAOYSA-N	256.283	1.638	5	40	CDBB	
CCN(CC)C(=O)C[S@](=O)c1ccccc1[N+](=O)[O-]	5708362	NSRCAPPAPQKWSM-LJQANCHMSA-N	284.337	1.571	5	40	CDBB	
O=[N+]([O-])c1ccc(CCn2ccc([N+](=O)[O-])n2)cc1	67802963	ACKMUGZRBMTVKW-UHFFFAOYSA-N	262.225	1.942	5	40	CDBB	
O=C(CSCCO)Nc1ccc(F)c([N+](=O)[O-])c1	408599175	FPKVWVBDEQVPCN-UHFFFAOYSA-N	274.273	1.398	5	40	CDBB	
COCCn1/c(=N/C(C)=O)sc2cc([N+](=O)[O-])ccc21	56915912	BVSRWLHSXJSOLW-SEYXRHQNSA-N	295.320	1.705	5	40	CDBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)C1CCCC1	96436627	YHLXITVKNNBASO-AWEZNQCLSA-N	292.335	1.805	5	40	CDBB	
Cc1nc(NCC2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-]	95975081	MZEXILHMGZFRRV-UHFFFAOYSA-N	299.352	1.535	5	40	CDBB	
O=C(CCn1ccc([N+](=O)[O-])n1)N1CCCCCC1	2777976	PRJNQOHQFBVIKQ-UHFFFAOYSA-N	266.301	1.584	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CCCO1	2779605	LYJQSYDBFJAZPH-SCZZXKLOSA-N	282.300	1.109	5	40	CDBB	
O=C(O)/C=C/c1ccc([N+](=O)[O-])c(/C=C/C(=O)O)c1	3844940	XCSLSUCMZJLNSM-BUSIMMOISA-N	263.205	1.790	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)OCCCc1ccccc1	2332786	PYKLPAOPURJZLI-UHFFFAOYSA-N	290.279	1.362	5	40	CDBB	
Cc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cn1	95992869	KZOBLVDGHYNBBW-UHFFFAOYSA-N	298.302	1.892	5	40	CDBB	
CN(c1ccc([N+](=O)[O-])cn1)C1CCS(=O)(=O)CC1	79016294	SQVOBNAJIJOSMW-UHFFFAOYSA-N	285.325	1.003	5	40	CDBB	
O=[N+]([O-])c1cnn(C[C@H](O)CSc2ccccn2)c1	96435697	IVNDRNINUSTLMX-JTQLQIEISA-N	280.309	1.340	5	40	CDBB	
Cc1ccc(CN2CCC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-]	93808691	KGONSXUJRPDFSU-LBPRGKRZSA-N	291.351	1.991	5	40	CDBB	
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(O)c(Cl)c1	96500451	KCOZBTAFKLILPI-UHFFFAOYSA-N	296.670	1.789	5	40	CDBB	
CON(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1	10133509	KQZVUKDKPLYTSI-UHFFFAOYSA-N	256.283	1.950	5	40	CDBB	
Cc1ccccc1NS(=O)(=O)c1c([N+](=O)[O-])ncn1C	6133770	YJCKWPQUELOFRA-UHFFFAOYSA-N	296.308	1.438	5	40	CDBB	
O=[N+]([O-])c1ccccc1NCCCN1CCOCC1	24204018	AODTVISKBZJMJU-UHFFFAOYSA-N	265.313	1.729	5	40	CDBB	
CC[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	24865803	FVVKITJVFHGQPJ-NSHDSACASA-N	293.323	1.548	5	40	CDBB	
Cc1ccc(C(=O)O[C@H]2CCOC2=O)cc1[N+](=O)[O-]	3280907	WYTVGQVIRKFSJD-JTQLQIEISA-N	265.221	1.376	5	40	CDBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CNC1(C(N)=O)CC1	95466731	BFMOEJFMLYRMBV-UHFFFAOYSA-N	293.323	1.490	5	40	CDBB	
COC(=O)N1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1	78406718	TZYISSKNCUYDCY-SECBINFHSA-N	283.259	1.987	5	40	CDBB	
C[C@@H]1Cc2ccccc2N1C(=O)Cn1nccc1[N+](=O)[O-]	47169234	QVRAZCWKFLNAKL-SNVBAGLBSA-N	286.291	1.769	5	40	CDBB	
CNC(=O)[C@H](Nc1ncccc1[N+](=O)[O-])C(C)(C)C	20387924	BFWXVCBTFKGWGW-VIFPVBQESA-N	266.301	1.562	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)n2nc(C)cc2C)n1	2765824	DWYJHIAEYAONQA-UHFFFAOYSA-N	263.257	1.313	5	40	CDBB	
O=C1OCC[C@H]1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	16978723	PZFHAKTZAUGWRF-CYBMUJFWSA-N	291.307	1.032	5	40	CDBB	
O=[N+]([O-])c1cnccc1NCCCOC[C@H]1CCOC1	77229494	VRPOQOPUVBCPAJ-LLVKDONJSA-N	281.312	1.845	5	40	CDBB	
O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1ccccc1	4753772	TXNXPZVCGHZQIL-UHFFFAOYSA-N	274.280	1.150	5	40	CDBB	
NC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc23)C1	52393764	KNCPQVVSEGCXKX-VIFPVBQESA-N	286.291	1.455	5	40	CDBB	
O=[N+]([O-])c1c(NC[C@@H]2CCOC2)nc2ccccn12	42107331	QGGMLZLJLOTQIH-VIFPVBQESA-N	262.269	1.691	5	40	CDBB	
O=C(Nn1cnnc1)c1cc(Cl)ccc1[N+](=O)[O-]	1498462	HPAAVKCJGHTJHF-UHFFFAOYSA-N	267.632	1.224	5	40	CDBB	
CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1	12801752	XJVLJEVUXWJBTJ-UHFFFAOYSA-N	251.286	1.921	5	40	CDBB	
OC[C@@H](O)[C@@H](O)Cc1cnc2cc3ccccc3cc2n1	22049817	UYVCNKANYYHWRW-JKSUJKDBSA-N	284.315	1.040	5	40	CDBB	in-vitro
Cc1cc(=O)n(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	78976406	FDJNWUPBDKMWNS-UHFFFAOYSA-N	287.275	1.854	5	40	CDBB	
CCSCC[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1	78675769	SIGBVORYVOMZGB-ZETCQYMHSA-N	271.346	1.911	5	40	CDBB	
Cc1ccc(OC[C@H]2NCCS2)c([N+](=O)[O-])c1	20219282	HVXRYXDBZBPEJL-NSHDSACASA-N	254.311	1.945	5	40	CDBB	
COc1cc(C(=O)OCC[N+](C)(C)C)cc(OC)c1OC	1628278	UDEZXIFBVOWKJP-UHFFFAOYSA-N	298.359	1.575	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCN[C@@H]2CN3CCC2CC3)cc1	10012471	HTBBILDBQULJJX-OAHLLOKOSA-N	290.367	1.691	5	40	CDBB	
Cc1noc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)n1	12780270	KHGUSCPMULAGOB-UHFFFAOYSA-N	287.235	1.044	5	40	CDBB	
CCCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	4673179	AQEPFPYIQFJMJO-UHFFFAOYSA-N	266.253	1.521	5	40	CDBB	
O=C(NCc1ccc(-c2ccn[nH]2)cc1)[C@H]1C[C@H]1[N+](=O)[O-]	84402995	WNSHMXRUSXDLTK-WCQYABFASA-N	286.291	1.358	5	40	CDBB	
CCn1ccc(=O)nc1SCCn1cc([N+](=O)[O-])cn1	74783377	SCJRJFQMADKMLD-UHFFFAOYSA-N	295.324	1.160	5	40	CDBB	
Cc1nn(C)c(NC[C@H](C)N2CCOC[C@@H]2C)c1[N+](=O)[O-]	79002718	YAMKWBNXDRIVPK-UWVGGRQHSA-N	297.359	1.158	5	40	CDBB	
CCS(=O)(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	96510160	YSZZAYWGIOQMDC-WDEREUQCSA-N	255.295	1.885	5	40	CDBB	
O=C1NCCCC[C@@H]1Sc1ncccc1[N+](=O)[O-]	67649346	YFLIUOYWVBDEBH-VIFPVBQESA-N	267.310	1.751	5	40	CDBB	
O=C(O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	7498869	FPEXVEVOZJTVAG-UHFFFAOYSA-N	279.296	1.192	5	40	CDBB	
O=C(O)/C=C/c1ccc(/C=C/C(=O)O)c([N+](=O)[O-])c1	3845219	BKLINPKRZIJUBZ-YBSXJGAUSA-N	263.205	1.790	5	40	CDBB	
C[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	6120410	XCCVGYIGJXTELY-JTQLQIEISA-N	279.296	1.015	5	40	CDBB	
C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])o1)c1cccs1	77181579	LAEBWGYOUPGQRS-GFCCVEGCSA-N	296.304	1.887	5	40	CDBB	
COCCNc1ccc(-c2nnc(N)o2)cc1[N+](=O)[O-]	216939921	MZRODJJOGZAIHV-UHFFFAOYSA-N	279.256	1.285	5	40	CDBB	
C[C@H](OC(=O)C[C@H](N)C(=O)O)c1ccccc1[N+](=O)[O-]	96118916	JZASQWASTRVHNE-CBAPKCEASA-N	282.252	1.001	5	40	CDBB	
O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O	100396900	LGUKSUMQFBALJX-AOOOYVTPSA-N	288.259	1.756	5	40	CDBB	
C[C@H]1CO[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1	45523644	FYMBGDBJJJGKLL-JGVFFNPUSA-N	254.242	1.437	5	40	CDBB	
NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1	4902600	KRTYADRONOISNN-UHFFFAOYSA-N	280.265	1.222	5	40	CDBB	
O=c1cccnn1Cc1cc([N+](=O)[O-])ccc1Cl	61403060	UXJUOVAEOWQDGJ-UHFFFAOYSA-N	265.656	1.853	5	40	CDBB	
COCc1noc(CN2CCc3ccc([N+](=O)[O-])cc32)n1	195561267	HFOYRILFJSTYQG-UHFFFAOYSA-N	290.279	1.687	5	40	CDBB	
O=C1NCCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl	96412855	MYRCOCRRAYUAEX-VIFPVBQESA-N	284.703	1.724	5	40	CDBB	
Cc1cc(C(=O)OCC(=O)N(C)C)ccc1[N+](=O)[O-]	3291949	TTWSKYUCZWRKTF-UHFFFAOYSA-N	266.253	1.148	5	40	CDBB	
O=C(NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])s1	3269220	NYPNLZQKDXZPCN-ZETCQYMHSA-N	256.283	1.565	5	40	CDBB	
O=C(COc1ccccc1[N+](=O)[O-])NCc1nccs1	65477085	CJQRTWMPTAKEND-UHFFFAOYSA-N	293.304	1.747	5	40	CDBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc[nH]n1	72308632	JAXVIMIHFKDBDB-SECBINFHSA-N	261.285	1.906	5	40	CDBB	
C[C@H](CC(=O)O)n1cc([N+](=O)[O-])c(OCC(F)F)n1	408716302	LEBJPQZSCOJAJS-RXMQYKEDSA-N	279.199	1.471	5	40	CDBB	
OCCN1CCOc2cc3nc4ccccc4nc3cc21	5372638	ULTWCDAKCGXRQF-UHFFFAOYSA-N	281.315	1.974	5	40	CDBB	
Cn1nnnc1Sc1ccc([N+](=O)[O-])c2cnccc12	3444197	VAWCCBOPLHVVKM-UHFFFAOYSA-N	288.292	1.818	5	40	CDBB	
O=[N+]([O-])c1cccnc1SC(=S)N1CCOCC1	13575431	JPGVFRXRAKLBGH-UHFFFAOYSA-N	285.350	1.699	5	40	CDBB	
CCCCN(CC(N)=O)Cc1cc(F)ccc1[N+](=O)[O-]	58137581	RZWSUAGIGFZDQC-UHFFFAOYSA-N	283.303	1.821	5	40	CDBB	
C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CO	84640241	GSIUPQWFMIZYAV-UWVGGRQHSA-N	266.297	1.270	5	40	CDBB	
NCCNc1ncc([N+](=O)[O-])cc1Br	86481874	AOCOATZNGWWUPM-UHFFFAOYSA-N	261.079	1.123	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1N1CCN(C)CC1	36472498	PCDGXHKODGQGON-UHFFFAOYSA-N	251.286	1.355	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(C(=O)NCc2ncccn2)c1	89432466	PPWGATWPKGOXHE-UHFFFAOYSA-N	288.263	1.323	5	40	CDBB	
O=C(COc1cccnc1[N+](=O)[O-])NC1CCCCC1	5971620	RBWSCOPMZYRCPX-UHFFFAOYSA-N	279.296	1.818	5	40	CDBB	
CN1CCN(C(=S)c2cccc([N+](=O)[O-])c2)CC1	19842150	HVTDBOQSTZOQOX-UHFFFAOYSA-N	265.338	1.518	5	40	CDBB	
O=[N+]([O-])c1cnc(N(C[C@@H]2CCOC2)C2CC2)nc1	167550178	HVSBXTFENZKEGW-VIFPVBQESA-N	264.285	1.390	5	40	CDBB	
CNC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])o1	4281755	ARHMEUBAQJGPKA-UHFFFAOYSA-N	295.276	1.861	5	40	CDBB	
C[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1F	79017294	NFMUAGBTBDJHOT-ZETCQYMHSA-N	253.233	1.059	5	40	CDBB	
CN1CCCN(c2cc(C(=O)O)c([N+](=O)[O-])cc2F)CC1	50029570	SXCGGMFTWMKMAF-UHFFFAOYSA-N	297.286	1.574	5	40	CDBB	
O=c1[nH]c(/C=C/c2ccccc2F)c([N+](=O)[O-])c(=O)[nH]1	13593336	WTMMNABBVHOZLT-AATRIKPKSA-N	277.211	1.281	5	40	CDBB	
O=[N+]([O-])c1c(NC[C@@H]2CCCO2)nc2sccn12	8308468	XLWSDLPHAHWIKB-ZETCQYMHSA-N	268.298	1.895	5	40	CDBB	
Cc1cc(=O)n(CCCCCCO)cc1[N+](=O)[O-]	89568489	TYGWARKPUMKVRV-UHFFFAOYSA-N	254.286	1.618	5	40	CDBB	
Cc1cc([N+](=O)[O-])cc(C)c1OCc1nnc(N)o1	216905575	HHOKWWXAERUUIQ-UHFFFAOYSA-N	264.241	1.756	5	40	CDBB	
C[C@@H]([C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96519332	JUBSMPOSEQSDNJ-XVKPBYJWSA-N	259.283	1.061	5	40	CDBB	
C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])[C@@H]1C	97376209	JSOJFPRXULAQEF-DTWKUNHWSA-N	299.352	1.477	5	40	CDBB	
COC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(C)o1	96447893	GTCCNEUORZBRDF-QMMMGPOBSA-N	293.283	1.668	5	40	CDBB	
Cc1cc(N[C@H]2CCCC[C@H]2C(N)=O)ncc1[N+](=O)[O-]	95972180	OHTCVEKKTGXVSI-ZJUUUORDSA-N	278.312	1.754	5	40	CDBB	
COC(=O)Cn1sc2cc([N+](=O)[O-])ccc2c1=O	89521	UERUHGSDKZNTSS-UHFFFAOYSA-N	268.250	1.144	5	40	CDBB	
O=Cc1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1	14007833	BGKFVXZIUPQNKM-UHFFFAOYSA-N	264.281	1.616	5	40	CDBB	
CCN(CC)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	20050108	YMUSESDBVZHAMZ-UHFFFAOYSA-N	272.326	1.766	5	40	CDBB	
C[C@@](Cl)([C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96520270	DWHDECRZGHNLKB-ZJUUUORDSA-N	293.728	1.628	5	40	CDBB	
O=C1NCCCC[C@H]1Sc1ncccc1[N+](=O)[O-]	67649344	YFLIUOYWVBDEBH-SECBINFHSA-N	267.310	1.751	5	40	CDBB	
C[C@@H]1CC(=O)N=C(SC(=O)c2cccc([N+](=O)[O-])c2)N1	5676729	FWZXKYWFQUODJV-SSDOTTSWSA-N	293.304	1.733	5	40	CDBB	
CCn1c(C)nc([N+](=O)[O-])c1Sc1ncc[nH]1	13215820	HIFDGCIGEWMDTG-UHFFFAOYSA-N	253.287	1.994	5	40	CDBB	
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1	11454930	RIQURSKPPNASAV-SECBINFHSA-N	250.254	1.456	5	40	CDBB	
C[C@H]1CCCN(C(=O)CCn2ccc([N+](=O)[O-])n2)C1	2780867	DKXPEFNTVJHWCX-JTQLQIEISA-N	266.301	1.440	5	40	CDBB	
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccncc1	4488692	NIXJMVCNWUWHLI-UHFFFAOYSA-N	250.239	1.699	5	40	CDBB	
CC1(C)Oc2ccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])cc2O1	46098257	PWXURLKCEVTTAI-BDAKNGLRSA-N	278.264	1.798	5	40	CDBB	
CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	10320957	YADSPBSXORXNIP-UHFFFAOYSA-N	253.210	1.543	5	40	CDBB	
COc1ccc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(OC)c1	29749566	UJRKVIWSBJUPBS-UHFFFAOYSA-N	291.263	1.691	5	40	CDBB	
CCCNc1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-]	26509025	LNNMUVWWKKWKMU-UHFFFAOYSA-N	268.229	1.424	5	40	CDBB	
O=C(NC1=NCCS1)c1ccc([N+](=O)[O-])cc1	513813	LVIVECUKDVIOAZ-UHFFFAOYSA-N	251.267	1.427	5	40	CDBB	
O=C(Nc1cccnc1)c1[nH]nc([N+](=O)[O-])c1Cl	2765877	SAMHBMRUICWOSQ-UHFFFAOYSA-N	267.632	1.619	5	40	CDBB	
O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])OCCO	58376476	DRFULONMQQDFJC-DUXPYHPUSA-N	255.201	1.283	5	40	CDBB	
CCCn1c(=O)c(=O)[nH]c2c(=O)oc3ccccc3c21	9607175	YFNZNWIGQACQPT-UHFFFAOYSA-N	272.260	1.206	5	40	CDBB	
CCS(=O)(=O)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C	71904606	GXBTYASSDHPPAR-SECBINFHSA-N	287.341	1.533	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1Sc1nncn1N	70462275	DVVBZEJDUXMOSV-UHFFFAOYSA-N	251.271	1.360	5	40	CDBB	
CCOC(=O)c1cc(OC)c([N+](=O)[O-])cc1OC	199815872	GKXUCJSHAMOYEY-UHFFFAOYSA-N	255.226	1.789	5	40	CDBB	
O=C(O)CN(CC(=O)O)Sc1ccc([N+](=O)[O-])cc1	5770038	UGANIZSVJZREIW-UHFFFAOYSA-N	286.265	1.073	5	40	CDBB	
CCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	16624188	IZINBUAHXOOPDS-CYBMUJFWSA-N	277.280	1.772	5	40	CDBB	
CCN(CC)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	19940148	DVRSXMIJEYOQSF-GFCCVEGCSA-N	291.307	1.569	5	40	CDBB	
NC(=O)c1cscc1NC(=O)c1ccc([N+](=O)[O-])o1	618257047	PXTIXHHGEGQAJX-UHFFFAOYSA-N	281.249	1.601	5	40	CDBB	
CS(=O)(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1	521641	UIJJBKMUKAUQHO-SNVBAGLBSA-N	288.350	1.602	5	40	CDBB	
Cc1nn(C)c(C)c1NC(=O)c1nn(C)c(C)c1[N+](=O)[O-]	2780784	QQMBLXCZFKDOGQ-UHFFFAOYSA-N	292.299	1.239	5	40	CDBB	
C[C@@H](C[N+]1(C)CCOCC1)N1C(=O)c2ccccc2C1=O	6183013	PFJIDXUCXMZKAM-LBPRGKRZSA-N	289.355	1.148	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)OCc1noc(C)n1	65552606	XLASFUROBQRNQP-UHFFFAOYSA-N	293.235	1.652	5	40	CDBB	
CNC(=O)c1ccc(Sc2ncc[nH]2)c([N+](=O)[O-])c1	76063774	AUFILIXXMKEPLO-UHFFFAOYSA-N	278.293	1.829	5	40	CDBB	
CC(=O)N[C@@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1	97229471	SEGZTKGZFFHVDR-SECBINFHSA-N	299.277	1.978	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCc2ccccc21	7344482	JVBGEFRHHJAXTG-UHFFFAOYSA-N	286.291	1.689	5	40	CDBB	
O=C(C[C@H]1SCCNC1=O)Nc1cccc([N+](=O)[O-])c1	2197501	SIIKZFCZCDHLJG-SNVBAGLBSA-N	295.320	1.155	5	40	CDBB	
Nc1ncc2c(n1)CCN(c1ccc([N+](=O)[O-])cc1)C2	3884088	FSQHKWCABLZPDN-UHFFFAOYSA-N	271.280	1.530	5	40	CDBB	
CC(C)(CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4180034	LLXFWMQDMWHYQW-UHFFFAOYSA-N	255.230	1.686	5	40	CDBB	
CC(C)[C@@H](CO)NC(=O)c1ccc(F)cc1[N+](=O)[O-]	95994464	GQNGKRKBCFAXSC-SNVBAGLBSA-N	270.260	1.481	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCCCC1	32738774	OIOJBKSCAIQWPQ-UHFFFAOYSA-N	294.307	1.995	5	40	CDBB	
O=C(O)Cc1cc([N+](=O)[O-])ccc1Br	139942147	SEQYLSDGDQXASY-UHFFFAOYSA-N	260.043	1.984	5	40	CDBB	
CC[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96518031	SFNDYQUFZYCAEP-JTQLQIEISA-N	271.294	1.601	5	40	CDBB	
C[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)[S@@](C)=O	97103724	LYBYAJXTPUUHCI-YBYGRFCBSA-N	299.352	1.873	5	40	CDBB	
CO[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1	69973394	YQPPLBSDSKEESM-NSHDSACASA-N	251.286	1.913	5	40	CDBB	
COc1c(OC)c([N+](=O)[O-])c2c(c1[N+](=O)[O-])COC2=O	4805042	CLCHLWCWHLEFCC-UHFFFAOYSA-N	284.180	1.191	5	40	CDBB	
C[N+]1(CCC[N+]2(C)C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3C2)CCOCC1	101158739	IAGUZLAALPHMBW-XSLAGTTESA-N	292.467	1.752	5	40	CDBB	
CCN(CC(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-]	65577080	XPTYKULHURDJMJ-UHFFFAOYSA-N	254.290	1.744	5	40	CDBB	
CC[C@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	96519547	QTVSBUJGYPGQBI-NEPJUHHUSA-N	287.337	1.842	5	40	CDBB	
CCOc1cc(NC(C)=O)c([N+](=O)[O-])cc1C(=O)OC	34465596	ZXCSXMZHXLGCEP-UHFFFAOYSA-N	282.252	1.739	5	40	CDBB	in-vitro
O=c1[nH]c(/C=C\c2cccs2)nc(O)c1[N+](=O)[O-]	13571191	MUHSXQZNUWGLEJ-ARJAWSKDSA-N	265.250	1.616	5	40	CDBB	
C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	12812489	IQXLXCPFGHDUPW-JTQLQIEISA-N	277.324	1.926	5	40	CDBB	
Cc1nn(CC(=O)N2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-]	197076	NKXFIMSAMLHLCM-VIFPVBQESA-N	280.328	1.809	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	4006708	PBVHTBPFNZTURL-FQPOAREZSA-N	284.271	1.906	5	40	CDBB	
Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1	9217008	OTFROJSSKKLSEW-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
CC(C)[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	23994004	JQSXQTSOKNGRSR-VIFPVBQESA-N	272.326	1.918	5	40	CDBB	
CCOC(=O)c1ccc(N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1	15443386	MORZRCXNYYBTRA-JTQLQIEISA-N	293.323	1.570	5	40	CDBB	
NC(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1	7185844	JGDZJZWQRWXTAN-UHFFFAOYSA-N	258.237	1.832	5	40	CDBB	
Cc1c(C(=O)OCC(=O)NC(C)(C)C)cccc1[N+](=O)[O-]	3291011	VUPVAIWKPRGWNF-UHFFFAOYSA-N	294.307	1.975	5	40	CDBB	
C[N+]1(CCCN2CCOCC2)C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	101018869	XVZLAXSFVMDPLT-VPQNOXPISA-N	277.432	1.607	5	40	CDBB	
CC[C@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	33012205	PUFCVCIHDGMICT-MRVPVSSYSA-N	288.325	1.181	5	40	CDBB	
Cc1nnc2sc(-c3cccc([N+](=O)[O-])c3)nn2c1=O	8394006	HZPCVFZLBUOBLA-UHFFFAOYSA-N	289.276	1.430	5	40	CDBB	
CN(C)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	48462346	DVTYLNSGHHARGO-UHFFFAOYSA-N	250.302	1.520	5	40	CDBB	
NC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	4715701	NCSSQJNANFQSJM-UHFFFAOYSA-N	263.297	1.292	5	40	CDBB	
Nn1cnnc1SCc1ccc([N+](=O)[O-])cc1	5605800	GMVQLRCDQFDJIR-UHFFFAOYSA-N	251.271	1.192	5	40	CDBB	
CC(C)N(CC(=O)O)Cc1cccc([N+](=O)[O-])c1	37994855	ARJNXYDWLIGRNE-UHFFFAOYSA-N	252.270	1.890	5	40	CDBB	
Cc1cnc(N(C)C2CCS(=O)CC2)c([N+](=O)[O-])c1	95411552	UCZFCDYHLNQMQI-UHFFFAOYSA-N	283.353	1.646	5	40	CDBB	
C[C@@H](O)CCN(C)c1ncc([N+](=O)[O-])cc1Cl	96429747	QSWSJVOEQQHETK-SSDOTTSWSA-N	259.693	1.850	5	40	CDBB	
Cc1nc([N+](=O)[O-])c(NC[C@H]2COC3(CCCC3)O2)n1C	101939242	JUBNAPSRLLMERC-JTQLQIEISA-N	296.327	1.734	5	40	CDBB	
Cn1nnnc1SCC(=O)c1cc([N+](=O)[O-])cs1	12139030	TXFQGKGEJWXITG-UHFFFAOYSA-N	285.310	1.155	5	40	CDBB	
Cc1cc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c(=O)[nH]1	4248358	FPKICDDLYWJADG-UHFFFAOYSA-N	292.222	1.950	5	40	CDBB	
COC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC	22624548	RMNKGNZVNJRHQO-MRVPVSSYSA-N	268.269	1.368	5	40	CDBB	
CSc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	48603114	XYRFJGYXANBMNP-UHFFFAOYSA-N	250.283	1.957	5	40	CDBB	
Cc1cc(C(=O)OCC(=O)NC(C)C)ccc1[N+](=O)[O-]	6879774	KVJVSASNIRAFCN-UHFFFAOYSA-N	280.280	1.585	5	40	CDBB	
COc1ccc(NC(=O)c2nc[nH]c2[N+](=O)[O-])cc1	5800075	SRCBBOQPMILIQU-UHFFFAOYSA-N	262.225	1.579	5	40	CDBB	
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1	35153112	RZVBYOJYIZMYAC-VIFPVBQESA-N	296.279	1.603	5	40	CDBB	
CCC[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])c(C)n1	96487430	FVGDBXMUAHGODH-NSHDSACASA-N	278.312	1.403	5	40	CDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N1	99326	CALXKFHEBRCNOE-GXSJLCMTSA-N	254.673	1.936	5	40	CDBB	
O=Cc1c(Br)cc2c(c1[N+](=O)[O-])OCO2	1716379	HMVOCAGCOLBQJY-UHFFFAOYSA-N	274.026	1.899	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C(=O)O)CS1	4357723	HFAXIVVNHIWLLO-VHSXEESVSA-N	268.294	1.691	5	40	CDBB	
CC[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C	65711554	NDUGMVPJKANSDR-LLVKDONJSA-N	280.328	1.891	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(F)cc1	12781243	IHDREEROMSRZNC-UHFFFAOYSA-N	264.216	1.569	5	40	CDBB	
C[C@H](O)CNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	4179195	GCFLFGGWPVVVQA-NSHDSACASA-N	294.355	1.139	5	40	CDBB	
O=C(NCCCn1ccnc1)c1ccc([N+](=O)[O-])cc1	2740368	WPYWEQWOZOUVTC-UHFFFAOYSA-N	274.280	1.611	5	40	CDBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1c[nH]ccc1=O	32912030	QXSNSGVFOPPUNP-UHFFFAOYSA-N	289.247	1.301	5	40	CDBB	
C[C@H](C[N+](C)(C)C)OC(=O)c1ccc2c(c1)OCO2	554727	WFVNPXZPQMSPDQ-SNVBAGLBSA-N	266.317	1.667	5	40	CDBB	
CCOC[C@@H](O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1	107050081	HDHLFFMAWCCLML-RISCZKNCSA-N	282.340	1.985	5	40	CDBB	
C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])cc1	69508254	PQBMAYFXASRMFB-CMPLNLGQSA-N	277.324	1.681	5	40	CDBB	
CSCC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)O	62717979	YAAYCNOOOFZWHC-LLVKDONJSA-N	284.337	1.891	5	40	CDBB	
Cc1cc(OCc2nnc(N)o2)c([N+](=O)[O-])cc1C	216907915	BKTRBZCLAJGUMO-UHFFFAOYSA-N	264.241	1.756	5	40	CDBB	
C[C@@]1(C(=O)O)CC(c2ccc([N+](=O)[O-])cc2)=NO1	71980987	BJFFRJNKNQZQTE-NSHDSACASA-N	250.210	1.563	5	40	CDBB	
COC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1	78407123	MSKPIOXMEDNIOE-QMMMGPOBSA-N	283.259	1.987	5	40	CDBB	
Cc1ccc(CN2C[C@@H]3CN(C)C[C@H]3C2)cc1[N+](=O)[O-]	63527663	SYQSMGURBYNROC-KBPBESRZSA-N	275.352	1.897	5	40	CDBB	
CC(C)[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O	3850884	DSNQKJVYEIFGLO-ZDUSSCGKSA-N	279.296	1.225	5	40	CDBB	
CCOC(=O)c1ccc([N+](=O)[O-])cc1NC(C)=O	343545	XBIKHYPBFPXZEI-UHFFFAOYSA-N	252.226	1.730	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1Sc1c([N+](=O)[O-])ncn1C	13282760	CESYRHOMAKZIQW-UHFFFAOYSA-N	284.257	1.121	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN(C)C	17008760	KSDGGIFNFFKGMO-UHFFFAOYSA-N	282.300	1.287	5	40	CDBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(N)=O	5508607	KGZTVQWAXYYIGK-YFKPBYRVSA-N	272.644	1.279	5	40	CDBB	
COc1cnc(OC)c([N+](=O)[O-])c1/C=C/N(C)C	90555568	RJNULHIDFOCAIN-AATRIKPKSA-N	253.258	1.539	5	40	CDBB	in-vitro
Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1	72281095	IPRCYTPWRUITTQ-UHFFFAOYSA-N	275.268	1.260	5	40	CDBB	
C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccncc1	97084010	XGPNHBGBIBKVCG-JTQLQIEISA-N	261.285	1.537	5	40	CDBB	
CCc1ccc(C(=O)N[C@H](C(N)=O)C(C)C)cc1[N+](=O)[O-]	78971356	ROCNOQRUDBCHLB-LBPRGKRZSA-N	293.323	1.397	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)O)CC1	216931728	YWZDYGNMFMYCPE-UHFFFAOYSA-N	280.280	1.904	5	40	CDBB	
CCOCOC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O	11565675	ZTQXBYAVZNPPRD-UHFFFAOYSA-N	293.231	1.852	5	40	CDBB	
Cc1ccc(NC(=O)CCc2nc[nH]n2)cc1[N+](=O)[O-]	75105595	HYGGMHJLAJADAU-UHFFFAOYSA-N	275.268	1.593	5	40	CDBB	
COC(=O)/C=C/OC(=O)c1ccc([N+](=O)[O-])cc1	2585604	LQMGFOZCJPSYBM-VOTSOKGWSA-N	251.194	1.438	5	40	CDBB	in-vitro
CC[C@@H](C)NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1	2679915	SMKPDKOHESNKGI-ZYHUDNBSSA-N	268.313	1.723	5	40	CDBB	
C[C@H]1CCCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	8178229	YWCIVMQVWLPHTQ-VIFPVBQESA-N	299.352	1.621	5	40	CDBB	
CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1F	69416523	XWNVUQLNBWPDRD-UHFFFAOYSA-N	291.304	1.085	5	40	CDBB	
C[C@@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	72094948	CNLQQXSVXDQOQH-XCBNKYQSSA-N	278.264	1.504	5	40	CDBB	
O=C(NO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1	72058624	WGDCKGMSBSVDKU-NSHDSACASA-N	266.253	1.783	5	40	CDBB	
COC(=O)COc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	40545726	LYKGPYWICVWDCK-UHFFFAOYSA-N	270.197	1.363	5	40	CDBB	
CC(C)[C@@H](N)c1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1	95534773	HFMPIUWPCCFICY-GFCCVEGCSA-N	275.312	1.960	5	40	CDBB	
O[C@H]1c2c(ccc3cc4ccccc4cc23)[C@@H](O)[C@H](O)[C@H]1O	256447477	OBPNVPPKXVIGQS-OWSLCNJRSA-N	296.322	1.795	5	40	CDBB	
CCOC(=O)[C@H](CC)n1cc([N+](=O)[O-])c(OCC)n1	253408429	XWSALWZAURQVFE-QMMMGPOBSA-N	271.273	1.704	5	40	CDBB	
O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCNC1=O	24904881	ZDDGOWVBPLHXGL-UHFFFAOYSA-N	299.670	1.179	5	40	CDBB	
CC(=O)c1nn(-c2cccc([N+](=O)[O-])c2)c(=N)s1	6186649	NGULBHVPEGUEQY-UHFFFAOYSA-N	264.266	1.524	5	40	CDBB	
COC(=O)c1cc(C(=O)N(C)C2CC2)cc([N+](=O)[O-])c1	46394921	AYDBRLMQKVCDGJ-UHFFFAOYSA-N	278.264	1.616	5	40	CDBB	
CN(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	3885322	HBTAOSGHCXUEKI-UHFFFAOYSA-N	264.690	1.499	5	40	CDBB	
O=C(Nc1cccc(Cl)c1O)c1n[nH]cc1[N+](=O)[O-]	95978674	UJWICXLFISMXKJ-UHFFFAOYSA-N	282.643	1.929	5	40	CDBB	
O=[N+]([O-])c1cc(-n2cnnc2)ccc1N1CCOCC1	70461788	AHPSBWSXHAGTDB-UHFFFAOYSA-N	275.268	1.012	5	40	CDBB	
Cc1c(CC(=O)N2CC[C@H](CO)C2)cccc1[N+](=O)[O-]	195546445	ZTRJSHSRGHEUCD-NSHDSACASA-N	278.308	1.287	5	40	CDBB	
NC(=O)c1ccc([N+](=O)[O-])cc1I	34461718	BOMXOXFDGNETOP-UHFFFAOYSA-N	292.032	1.298	5	40	CDBB	
CC(=O)[C@H]1C[C@@H](CC(=O)N2CC[N+](C)(C)CC2)C1(C)C	3102258	HVPHBXGPVVDZRF-UONOGXRCSA-N	281.420	1.546	5	40	CDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CSCN1	20373670	UUOHCLPRGWWICU-SECBINFHSA-N	253.283	1.196	5	40	CDBB	
O=C(Nc1nc[nH]n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	23143068	YDFFKFLQRWXPSY-UHFFFAOYSA-N	288.267	1.540	5	40	CDBB	
Cc1cc(N2C[C@H](CO)OC[C@@H]2C)ccc1[N+](=O)[O-]	95419002	OPTFNILFDLBIRT-CMPLNLGQSA-N	266.297	1.489	5	40	CDBB	
Cc1nn(C)c(Nc2ccc(CO)cc2)c1[N+](=O)[O-]	95977031	PRPGLDXHLATPAA-UHFFFAOYSA-N	262.269	1.873	5	40	CDBB	
CS(=O)(=O)CC1(CNc2ccccc2[N+](=O)[O-])CC1	96449470	GVTAXYFRDHNIPW-UHFFFAOYSA-N	284.337	1.832	5	40	CDBB	
O=C(O)CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	19422989	IEJYKFRKXNZFQL-VOTSOKGWSA-N	278.264	1.589	5	40	CDBB	
O=C(Nc1nnn[nH]1)c1ccc(Cl)cc1[N+](=O)[O-]	6505498	LXWPRNUNOUWFAO-UHFFFAOYSA-N	268.620	1.014	5	40	CDBB	
CN1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1	24302529	CGPLRQQPFAEXHJ-UHFFFAOYSA-N	295.364	1.461	5	40	CDBB	
CC(=O)NCCCC(=O)Nc1ccc([N+](=O)[O-])cc1	4015762	AXBWKVNOWZATIX-UHFFFAOYSA-N	265.269	1.450	5	40	CDBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1	6397000	IQENFQXGAOZDMJ-UHFFFAOYSA-N	280.332	1.778	5	40	CDBB	
Cc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1C	9379124	XEVMMHWRQQLUNV-UHFFFAOYSA-N	288.307	1.754	5	40	CDBB	
COc1cc(N(C)Cc2ncnn2C)c([N+](=O)[O-])cc1F	95412115	WIYLQHBUQWLKMV-UHFFFAOYSA-N	295.274	1.507	5	40	CDBB	
NC(=O)c1cc(Cl)c(N2CCOCC2)c([N+](=O)[O-])c1	70462622	LIDURAHAAZFIHI-UHFFFAOYSA-N	285.687	1.184	5	40	CDBB	
O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	59142932	KAQBNBSMMVTKRN-UHFFFAOYSA-N	257.114	1.109	5	40	CDBB	
COc1cc(CCN(C)C)c([N+](=O)[O-])cc1OC	1563575	AGJIISHBPPNMSE-UHFFFAOYSA-N	254.286	1.716	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)c1ccccc1	7344460	WPUNZQQRKINKCX-JTQLQIEISA-N	288.307	1.977	5	40	CDBB	
CC[N+](C)(C)CCCOC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	103913566	UAYTZKXVZLOQJE-HPCHECBXSA-N	296.387	1.214	5	40	CDBB	
CCONC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	49446931	ITYWOFYNBIBJRN-UHFFFAOYSA-N	263.253	1.617	5	40	CDBB	
O=S(=O)(O)c1ccc2c(c1)nnc1cc(O)ccc12	255189181	OGEPVMFLLPJTFN-UHFFFAOYSA-N	276.273	1.735	5	40	CDBB	
NC(=O)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1	36727931	YSEHINKSWWPCKK-UHFFFAOYSA-N	299.286	1.624	5	40	CDBB	
O=C(O)c1cnn(-c2ccc(F)cc2[N+](=O)[O-])c1	12395474	BFORZHNHXBZZMG-UHFFFAOYSA-N	251.173	1.618	5	40	CDBB	
CC(C)[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)O	19435344	WXRZQTPLVYCUAM-LJLILKBBSA-N	292.291	1.833	5	40	CDBB	
Cc1ccc(C)n1C1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1	89652247	NYGUGGAEYFMVJZ-UONOGXRCSA-N	291.351	1.934	5	40	CDBB	
Cn1ccnc1Sc1ccc(C(N)=O)cc1[N+](=O)[O-]	12635837	FDMIHGOSNSDVGU-UHFFFAOYSA-N	278.293	1.578	5	40	CDBB	
O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccon1	95995616	MCZRVORSUKRIME-UHFFFAOYSA-N	297.292	1.567	5	40	CDBB	
CCOC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	36712365	DFDSFNPWZMDNOR-UHFFFAOYSA-N	285.281	1.743	5	40	CDBB	
C[C@@]1(NCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1	35047797	MHXABWHZUNMEOR-GFCCVEGCSA-N	284.337	1.262	5	40	CDBB	
COCCNS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1	5235074	HWUUULAGZUYTIJ-UHFFFAOYSA-N	288.325	1.136	5	40	CDBB	
CC(=O)O[C@H](C)N(C(C)=O)c1ncc([N+](=O)[O-])s1	4720902	AQIUSQUYXRXWFS-ZCFIWIBFSA-N	273.270	1.313	5	40	CDBB	
Cc1c(NC(=O)CCC(=O)O)cccc1[N+](=O)[O-]	301512	LIEPDWIOCULTCM-UHFFFAOYSA-N	252.226	1.707	5	40	CDBB	
O=C1N[C@@](O)(c2ccc([N+](=O)[O-])cc2)c2ccccc21	1432405	TYLVIRMISGMXRS-CQSZACIVSA-N	270.244	1.532	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)CCn2cccn2)cc1	97085557	SFBLMNJBINLRAR-UHFFFAOYSA-N	281.293	1.265	5	40	CDBB	
Cc1cc(N(C)C2CCS(=O)CC2)ncc1[N+](=O)[O-]	95411553	FNBSGZSRELITOB-UHFFFAOYSA-N	283.353	1.646	5	40	CDBB	
CCc1nn(C)c(N(CC)Cc2cnn(C)c2)c1[N+](=O)[O-]	192716177	WIDFOIOUPXZBGI-UHFFFAOYSA-N	292.343	1.651	5	40	CDBB	
COCC(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	247663604	UYWJKUXCVQQSMS-GUTXKFCHSA-N	256.366	1.585	5	40	CDBB	biogenic,in-vitro
Nc1cc(N2CCC[C@H]2C(=O)O)c(Cl)cc1[N+](=O)[O-]	59726324	VZPPKCYYIHBYIM-QMMMGPOBSA-N	285.687	1.884	5	40	CDBB	
CNCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	36280198	YCXYEHVMNUAVDI-UHFFFAOYSA-N	251.286	1.243	5	40	CDBB	
CON(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	36739274	TVFAQJAYEFHUOW-UHFFFAOYSA-N	279.296	1.828	5	40	CDBB	
CC(C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	44948190	HMCBXDQNBYXKGR-UHFFFAOYSA-N	258.299	1.423	5	40	CDBB	
COc1cc(N2CCCCC2)c([N+](=O)[O-])cc1C(N)=O	45957552	UGUVYFZAKZHATK-UHFFFAOYSA-N	279.296	1.693	5	40	CDBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC2)c1	15042626	XRCGXTVCSRFBJW-UHFFFAOYSA-N	270.310	1.520	5	40	CDBB	
O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2CO)cc1	69848022	GRPFQTGBQLNVAJ-LBPRGKRZSA-N	266.297	1.430	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)O	29247529	SCRHZRWKMFHZAZ-ZETCQYMHSA-N	254.242	1.174	5	40	CDBB	
CC1=CC=C[C@H](Oc2ncnc(N)c2[N+](=O)[O-])[C@H]1C	26802662	JMUHVVLSAARLND-IUCAKERBSA-N	262.269	1.867	5	40	CDBB	
Cc1nc(N[C@H]2CCCN(C(N)=O)C2)ccc1[N+](=O)[O-]	96011315	GHMCCPVYVKOXKR-VIFPVBQESA-N	279.300	1.253	5	40	CDBB	
COC(=O)Cc1cc(OC)c([N+](=O)[O-])cc1[N+](=O)[O-]	38601154	VUZKGNRXESYCLF-UHFFFAOYSA-N	270.197	1.227	5	40	CDBB	
Cc1nn(C)cc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1	2762489	FGNMUMVFLBMNGC-UHFFFAOYSA-N	288.307	1.909	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1N1CCN(C2CCCC2)CC1	32779327	AMKQUEYFPUFRBK-UHFFFAOYSA-N	279.344	1.393	5	40	CDBB	
CS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	4905320	MYFZWMNCXMXEFQ-UHFFFAOYSA-N	270.310	1.599	5	40	CDBB	
O=C(NC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	9365471	HOAANQICZYNHKF-UHFFFAOYSA-N	290.323	1.589	5	40	CDBB	
CCN1CCO[C@@H](COc2ccccc2[N+](=O)[O-])C1	217500634	IQHSPEVPUFNAPL-LLVKDONJSA-N	266.297	1.694	5	40	CDBB	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCc2c(F)cc(F)cc21	191936112	DPJXVHHFUFZBCF-UHFFFAOYSA-N	294.217	1.799	5	40	CDBB	
CCS(=O)(=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1	96510036	BVATWAHRLDSNQU-SNVBAGLBSA-N	259.283	1.063	5	40	CDBB	
CCSCC[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1	78675764	SIGBVORYVOMZGB-SSDOTTSWSA-N	271.346	1.911	5	40	CDBB	
Cc1ccc(N[C@@]2(C)CS(=O)(=O)C[C@@H]2[N+](=O)[O-])cc1	5337608	NCFNSTCXMUWFPM-RYUDHWBXSA-N	284.337	1.239	5	40	CDBB	
Cc1c([N+](=O)[O-])c2nsnc2c2nsnc12	1820380	KWWXGZDRWFREIV-UHFFFAOYSA-N	253.268	1.913	5	40	CDBB	
C[C@H]1CN=C(NC(=O)c2ccc([N+](=O)[O-])cc2)S1	318165	XKHTZIFDTDEOTE-ZETCQYMHSA-N	265.294	1.816	5	40	CDBB	
O=C(O)C1=C[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1	100663700	FHNDCFONWDOJCE-SNVBAGLBSA-N	287.235	1.170	5	40	CDBB	
O=C(NC(=O)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1	1470907	NBWFHDXHFBWFPN-UHFFFAOYSA-N	277.158	1.805	5	40	CDBB	biogenic
O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCCC[C@@H]2CO)c1	195570195	JFIGOTMBFRJSAJ-VHDGCEQUSA-N	294.351	1.769	5	40	CDBB	
COc1nc(-c2ccccc2[N+](=O)[O-])oc(=O)c1C	5724515	AOBPJQQRFCKMIP-UHFFFAOYSA-N	262.221	1.927	5	40	CDBB	
C[n+]1c2ccccc2nc2ccc(NCCO)cc21	5022835	UFFSSWFJZSCGMP-UHFFFAOYSA-O	254.313	1.617	5	40	CDBB	
CC(=O)n1ncc2c([N+](=O)[O-])cc([N+](=O)[O-])cc21	2186003	RPSCBYRDIFJDPN-UHFFFAOYSA-N	250.170	1.513	5	40	CDBB	
O=C(O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1	21952734	ZIYBPDLTFLTPFX-LLVKDONJSA-N	250.254	1.644	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1Cc1cn2ccccc2n1	31672650	UZCNJQKSKYWDRQ-UHFFFAOYSA-N	270.248	1.453	5	40	CDBB	
COC[C@@H](C)NC(=O)CCCNc1ccccc1[N+](=O)[O-]	32747813	VWJGHZUJMXACGO-LLVKDONJSA-N	295.339	1.938	5	40	CDBB	
C/C=C/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	5464063	CCGBMYRFKDNIKH-ONEGZZNKSA-N	294.263	1.661	5	40	CDBB	
COc1ccc2[nH]c3c(=O)n4nc(N)sc4nc3c2c1	4776775	UKVJHWTWGLFIID-UHFFFAOYSA-N	287.304	1.376	5	40	CDBB	
O=C(O)[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	15443212	ZJSIMOSUXMPINC-VIFPVBQESA-N	250.254	1.896	5	40	CDBB	
CCCc1[nH]nc(C(=O)N2CCO[C@@H](CC)C2)c1[N+](=O)[O-]	71890284	MNGFXBOOZWJIIZ-VIFPVBQESA-N	296.327	1.521	5	40	CDBB	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OC1CCCCC1	95467978	YAHFEHAHOJMLNS-UHFFFAOYSA-N	280.280	1.632	5	40	CDBB	
Cc1nn(CCc2nnc3n2CCCCC3)cc1[N+](=O)[O-]	72334167	KUCOXIRQEHKBDW-UHFFFAOYSA-N	290.327	1.660	5	40	CDBB	
Cc1n[nH]c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1	41064307	BICDAXPFEVSFEN-UHFFFAOYSA-N	278.293	1.996	5	40	CDBB	
NC(=O)COc1c(Cl)cc(Cl)cc1[N+](=O)[O-]	226241050	XDIUPTKILHVWBL-UHFFFAOYSA-N	265.052	1.766	5	40	CDBB	
CN(C)c1ccc(C(=O)NC2=NCCS2)cc1[N+](=O)[O-]	32996134	URSBBTCPCDFNQD-UHFFFAOYSA-N	294.336	1.493	5	40	CDBB	
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1	45062359	ILTWUBNDUIMLRY-ZIAGYGMSSA-N	290.319	1.763	5	40	CDBB	
C[C@H]1C[C@@H](C)CN(c2nc(N(C)C)nc(N)c2[N+](=O)[O-])C1	13777773	XKRLQCGPIQTZSF-DTORHVGOSA-N	294.359	1.515	5	40	CDBB	
CN1CCc2cc3c(cc2[C@H]1C[N+](=O)[O-])OCO3	226745869	CXRSSOOGOWCPLJ-SNVBAGLBSA-N	250.254	1.221	5	40	CDBB	
O=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)N1CCCC1	57551367	CDBZIXADWOSFPD-LBPRGKRZSA-N	264.281	1.686	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O)CC1=O	19944685	BEMVCPJZBJNGPJ-SSDOTTSWSA-N	280.236	1.041	5	40	CDBB	
COC(=O)/C=C/c1ccc([N+](=O)[O-])c(/C=C/C(=O)OC)c1	3844938	VMXRDQAWBUKVDX-NSLJXJERSA-N	291.259	1.967	5	40	CDBB	
Cc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1	18203269	KTHITSMADFALHF-VOTSOKGWSA-N	273.248	1.863	5	40	CDBB	
COC(=O)c1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-]	59358132	UANMWPWYANJDGT-UHFFFAOYSA-N	260.589	1.943	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCN[C@H]2CN3CCC2CC3)cc1	10012473	HTBBILDBQULJJX-HNNXBMFYSA-N	290.367	1.691	5	40	CDBB	
O=C(O)C1=C[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1	100663697	FHNDCFONWDOJCE-JTQLQIEISA-N	287.235	1.170	5	40	CDBB	
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCOCC1	3898634	CNIJZNOJDWGSCI-UHFFFAOYSA-N	267.241	1.648	5	40	CDBB	
COc1ccc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-]	4699344	BYMNAUNVLMLXFU-UHFFFAOYSA-N	293.323	1.429	5	40	CDBB	
CCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	5615004	HMEKPMJEHVZPKI-UHFFFAOYSA-N	272.326	1.982	5	40	CDBB	
COC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1	78343211	ZBZJAIPDWMIDEB-LBPRGKRZSA-N	252.270	1.446	5	40	CDBB	
CC[C@@H](CO)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	75958947	UMCNOAITOMMHMR-AWEZNQCLSA-N	293.367	1.483	5	40	CDBB	
Cc1cc(OCC(N)=O)c([N+](=O)[O-])c(C)c1Cl	216909220	QPJJLBLTDFKFOS-UHFFFAOYSA-N	258.661	1.729	5	40	CDBB	
CCOC(=O)[C@@H]1CS[C@H](c2cccc([N+](=O)[O-])c2)N1	98072830	WEOYSEACMSRQOC-WDEREUQCSA-N	282.321	1.862	5	40	CDBB	
O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CO	97102527	AAVCXDOGUDLOGS-ZDUSSCGKSA-N	278.308	1.511	5	40	CDBB	
C[C@@H](CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	1769091	WQIRLCXVDGJNTO-ZETCQYMHSA-N	273.266	1.232	5	40	CDBB	
CSc1nnc(C)n1NC(=O)c1ccc([N+](=O)[O-])o1	8375280	MPXJBYBFUDEYLW-UHFFFAOYSA-N	283.269	1.194	5	40	CDBB	
C[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1	69699341	KKFNFPQGYYLKSH-NSHDSACASA-N	265.313	1.098	5	40	CDBB	
COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC[C@H]1CCCO1	37226505	BZJQHIABMUYYRN-MRVPVSSYSA-N	297.263	1.859	5	40	CDBB	in-vitro
O=C(OCCc1ccc(F)cc1)[C@H]1C[C@@H]1[N+](=O)[O-]	78986206	UMKZTGPGFSWLQT-QWRGUYRKSA-N	253.229	1.577	5	40	CDBB	
CC(C)[C@@H](N)C(=O)OCc1ccc([N+](=O)[O-])cc1	34426357	USBVDPVTFGLYPZ-LLVKDONJSA-N	252.270	1.621	5	40	CDBB	
CSC[C@H](CCO)Nc1ccc([N+](=O)[O-])cn1	77236910	RRKBCCBHRALSRO-QMMMGPOBSA-N	257.315	1.516	5	40	CDBB	
CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	6314669	QXRHCPVYQJYMFP-VIFPVBQESA-N	272.326	1.980	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	12723670	MTKCDNVJCRZRCC-UHFFFAOYSA-N	280.280	1.608	5	40	CDBB	
O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	45751327	NPBQZHQFUVDKGT-SECBINFHSA-N	293.279	1.071	5	40	CDBB	
Cc1nnc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)s1	2778659	SKUDNCWXGGHEOD-UHFFFAOYSA-N	282.285	1.049	5	40	CDBB	
CCOc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	3161140	SRCADXNVJFRQNR-UHFFFAOYSA-N	255.186	1.001	5	40	CDBB	
Cc1cnc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)nc1	91574970	MHSICBYDQBRRFT-UHFFFAOYSA-N	293.304	1.667	5	40	CDBB	
COc1ccc(NC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1	6127463	MVGVDJNLLCRWBJ-NSHDSACASA-N	266.253	1.721	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)n1ccc(C2CC2)n1	6258809	MHLCRQSOTLHLPV-UHFFFAOYSA-N	293.304	1.906	5	40	CDBB	
O=c1oc2cccnc2n1Cc1ccc([N+](=O)[O-])cc1	71527333	XHALOWQMVBRWCN-UHFFFAOYSA-N	271.232	1.946	5	40	CDBB	
COc1ccc(Cn2cccc([N+](=O)[O-])c2=O)cc1F	72280379	MWLJTFFILQHBLB-UHFFFAOYSA-N	278.239	1.953	5	40	CDBB	
COC(=O)c1c(O)c([N+](=O)[O-])cc(Br)c1F	169800514	SVVHWSJBDAXMOR-UHFFFAOYSA-N	294.032	1.989	5	40	CDBB	
CCCCNCCNC(=O)c1cccc([N+](=O)[O-])c1O	5419876	UPESUDWTOOLPCZ-UHFFFAOYSA-N	281.312	1.420	5	40	CDBB	
CC[N+]1(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1c1ccc(OC)c(OC)c1	4029888	QIVWXVZLBPQWKQ-BQTFKFHJSA-N	296.387	1.335	5	40	CDBB	
O=C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12	6447865	LVPVFWBIIFCUPN-RKDXNWHRSA-N	292.295	1.292	5	40	CDBB	
Cc1c(C(=O)N2CCOC[C@@H]2C)cccc1[N+](=O)[O-]	25139842	ZCSBADZQCGKVPW-VIFPVBQESA-N	264.281	1.764	5	40	CDBB	
O=[N+]([O-])c1ccn(-c2nc3ccccn3c2[N+](=O)[O-])n1	58017476	KFCHXPVFEOUPDP-UHFFFAOYSA-N	274.196	1.336	5	40	CDBB	
C[C@@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])cn1	48336736	XNNBILOTPALYQT-JTQLQIEISA-N	266.301	1.122	5	40	CDBB	
COc1ccccc1Nc1ncnc(N)c1[N+](=O)[O-]	3912553	YSJZNGMQFSDUEV-UHFFFAOYSA-N	261.241	1.719	5	40	CDBB	
Cn1c(/C=C/c2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O	4180450	LKYSNWSHWDHNJX-CMDGGOBGSA-N	287.275	1.163	5	40	CDBB	
COc1ccc(NC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1	6127471	MVGVDJNLLCRWBJ-LLVKDONJSA-N	266.253	1.721	5	40	CDBB	
CNC(=O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1	94774622	ZHOCNZSGWMNOKB-CYBMUJFWSA-N	295.314	1.834	5	40	CDBB	
C[C@@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1F	79017289	NFMUAGBTBDJHOT-SSDOTTSWSA-N	253.233	1.059	5	40	CDBB	
O=[N+]([O-])c1cc(Br)c(O)c(-n2cnnc2)c1	216752301	WXTLXYZXISAJGG-UHFFFAOYSA-N	285.057	1.644	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1N1C[C@@H](C(=O)O)CC1=O	45953521	YCFAKWUHDWDUND-QMMMGPOBSA-N	264.237	1.341	5	40	CDBB	
O=[N+]([O-])c1cccc(CNCCCN2CCOCC2)c1	8728609	NOFNZRAHRXIFJB-UHFFFAOYSA-N	279.340	1.407	5	40	CDBB	
COc1ccc(/C=C/[N+](=O)[O-])c([N+](=O)[O-])c1OC	3159552	KFVHWAXEDBXJAA-AATRIKPKSA-N	254.198	1.859	5	40	CDBB	
Cc1cc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)no1	2780654	GKIACARKULSZFF-UHFFFAOYSA-N	293.283	1.733	5	40	CDBB	
Nc1nc(=O)c2cnc3ccc(C(=O)O)cc3c2s1	26507634	LRVVUJABEIUURD-UHFFFAOYSA-N	273.273	1.485	5	40	CDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)n2ccnc2)c1	9061814	KNMXYCDIBYLXDR-UHFFFAOYSA-N	253.239	1.028	5	40	CDBB	
Cc1cc(N[C@@H]2CCCC[C@@H]2C(N)=O)ncc1[N+](=O)[O-]	95972177	OHTCVEKKTGXVSI-VHSXEESVSA-N	278.312	1.754	5	40	CDBB	
O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-]	60722309	GSUWEFSKUVXFQK-JSGCOSHPSA-N	289.335	1.951	5	40	CDBB	
C[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1	30015249	URHVPKFATWOURY-DTWKUNHWSA-N	279.296	1.592	5	40	CDBB	
C[C@H]1C[C@@H](C)CN(c2ncnc(N)c2[N+](=O)[O-])C1	12524420	KWHPIJCZFLCOQH-OCAPTIKFSA-N	251.290	1.449	5	40	CDBB	
CN1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1	20507137	NDNILAPCNOHHOB-UHFFFAOYSA-N	285.250	1.261	5	40	CDBB	
COCCN(CC(F)F)c1ncccc1[N+](=O)[O-]	71904223	CYUPUSHVOZRDMB-UHFFFAOYSA-N	261.228	1.708	5	40	CDBB	
O=C(NCCc1nccs1)c1ccc([N+](=O)[O-])cc1O	97097231	MBLAUBJJSOOKQY-UHFFFAOYSA-N	293.304	1.729	5	40	CDBB	
CCOC(=O)c1cn([C@@H](C)CC(=O)O)nc1[N+](=O)[O-]	408716059	IKQBHMUQOQTYJQ-LURJTMIESA-N	271.229	1.004	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])cc(Br)c1O	33510435	GHJLCCLHTCSRCE-UHFFFAOYSA-N	262.015	1.761	5	40	CDBB	
COC(=O)N1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1	78406739	NPPJFBXUDMUXPM-VIFPVBQESA-N	265.269	1.847	5	40	CDBB	
O=C1NC2(CCCC2)N[C@H]1c1cccc([N+](=O)[O-])c1	90661485	ACBKBQUCKPPXCF-NSHDSACASA-N	261.281	1.626	5	40	CDBB	
COC(=O)[C@@H]1CN(C)C[C@H]1c1ccc([N+](=O)[O-])cc1	252515354	IWSRWSNGUTXQKM-NWDGAFQWSA-N	264.281	1.413	5	40	CDBB	
CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1	192491	JDOFDIKSUSDGOA-UHFFFAOYSA-N	274.280	1.995	5	40	CDBB	
CCc1nc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])sc1C	44702007	GDIWJXNHXQOJCU-POYBYMJQSA-N	255.299	1.618	5	40	CDBB	
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1	12980241	KWPUKNRENFDEQD-NSHDSACASA-N	292.339	1.169	5	40	CDBB	
COc1c(C)cnc(CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C	65494086	PKIPUXAMPBCZMY-ZYHUDNBSSA-N	293.323	1.331	5	40	CDBB	
Cc1nc(Cl)c(C(=O)N2CCOCC2)c(C)c1[N+](=O)[O-]	4754010	IHTRSRMGOFKOBK-UHFFFAOYSA-N	299.714	1.732	5	40	CDBB	
NC(=O)[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1	76835132	ZRHSFKKCTOFFTH-SNVBAGLBSA-N	286.291	1.455	5	40	CDBB	
C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1CO	97105167	VKPIKQNEVKIZGN-TVQRCGJNSA-N	293.323	1.410	5	40	CDBB	
Cc1cc(C)n2cc(Cn3nccc3[N+](=O)[O-])nc2n1	89598918	CZMRXLGIMBBYFO-UHFFFAOYSA-N	272.268	1.499	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1Cc1nsc(N(C)C)n1	193872924	DNWIPWZGGDRTBY-UHFFFAOYSA-N	268.302	1.066	5	40	CDBB	
CCOC(=O)[C@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2C)C1	45953533	IHHMZQCENIISSI-JTQLQIEISA-N	292.291	1.819	5	40	CDBB	
Nc1nonc1-c1noc(-c2ccccc2[N+](=O)[O-])n1	53803	PCDUCBLCTIMBIW-UHFFFAOYSA-N	274.196	1.277	5	40	CDBB	
CC1([N+](=O)[O-])COP(=O)(NC2CCCC2)OC1	1674397	ISKQOANZIAGMAK-UHFFFAOYSA-N	264.218	1.709	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2nc3ncccn3c2c1	3157388	QKJGEULHDVGBAT-UHFFFAOYSA-N	259.181	1.699	5	40	CDBB	
COc1ccccc1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	12763843	GEYROZMYKYTHFQ-UHFFFAOYSA-N	288.259	1.648	5	40	CDBB	
COc1c(/C=C2/SC(=N)NC2=O)cccc1[N+](=O)[O-]	408718191	PEUMFPRFYAXLIK-VMPITWQZSA-N	279.277	1.742	5	40	CDBB	
Cn1nnc2c(Br)ccc([N+](=O)[O-])c21	218257445	URVWSWBZOLJEPG-UHFFFAOYSA-N	257.047	1.639	5	40	CDBB	
C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nncn1C	32934666	JVFUYFITYWJSTR-MRVPVSSYSA-N	290.283	1.606	5	40	CDBB	
CC(=O)N1c2cc([N+](=O)[O-])ccc2NC(=O)C[C@@H]1C	5533274	KCNFKCGGUOHIJR-ZETCQYMHSA-N	263.253	1.678	5	40	CDBB	
Cc1cc(C(=O)OCC(=O)NC2CC2)ccc1[N+](=O)[O-]	3238831	LWFGXFPASOLYAY-UHFFFAOYSA-N	278.264	1.339	5	40	CDBB	
O=C(CN1CSCC1=O)Nc1cccc([N+](=O)[O-])c1	12760650	PGHFAVHRMMBRBY-UHFFFAOYSA-N	281.293	1.066	5	40	CDBB	
CN1C=C(C(=O)NCCCC[N+](C)(C)C)C=C/C1=C/N=O	38165852	UQYQIAQAVIGJHM-KAMYIIQDSA-O	293.391	1.582	5	40	CDBB	
COC(=O)C(C)(C(=O)OC)c1ccccc1[N+](=O)[O-]	4072878	UBAZCFQMESGGPA-UHFFFAOYSA-N	267.237	1.199	5	40	CDBB	
COC[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	67810286	FSOTYEMPZZAGEL-JTQLQIEISA-N	291.307	1.701	5	40	CDBB	
COc1ccc(-c2nc([C@@H](C)N)n[nH]2)cc1[N+](=O)[O-]	95534677	IDQZSPOSPDHMOW-ZCFIWIBFSA-N	263.257	1.408	5	40	CDBB	
CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1	12802878	ZAQURVUUAACFNI-UHFFFAOYSA-N	291.307	1.208	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CCCN2C1=O	40545829	KFUDTHMFBWUCSF-JTQLQIEISA-N	275.264	1.834	5	40	CDBB	
COC(=O)CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1	3057420	PXQSIKZFNZUYGN-UHFFFAOYSA-N	296.279	1.774	5	40	CDBB	
CCOC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	3068441	KXILMLSEGUUHPS-LBPRGKRZSA-N	294.307	1.912	5	40	CDBB	
COCCNC(=S)Nc1ccc(N)c([N+](=O)[O-])c1	7529980	HNZUTTOQROMGKP-UHFFFAOYSA-N	270.314	1.110	5	40	CDBB	
C[C@H]1CCCC[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-]	2806701	UZNBKLVSIFCTQU-IUCAKERBSA-N	266.301	1.637	5	40	CDBB	
O=[N+]([O-])c1c(N2CCOCC2)ccc2nsnc12	4125165	KVUJCHGHZAVOQY-UHFFFAOYSA-N	266.282	1.436	5	40	CDBB	
COc1cc(N2CCC(O)CC2)ccc1[N+](=O)[O-]	14007591	SNYOQELAUCYAKA-UHFFFAOYSA-N	252.270	1.565	5	40	CDBB	
Cc1ccc(NC(=O)CSc2ncn[nH]2)c([N+](=O)[O-])c1	5754701	HOFDMGIKQWUEDY-UHFFFAOYSA-N	293.308	1.752	5	40	CDBB	
COc1cccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1	33396053	HZHRPAGNRIOZKF-WAYWQWQTSA-N	289.247	1.563	5	40	CDBB	
C[C@H](O)C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@@H]12	254321259	ZSOWTAJVTXSYKL-PWNZVWSESA-N	256.366	1.320	5	40	CDBB	
NS(=O)(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	575339256	QIZWPHZGPNNPCA-UHFFFAOYSA-N	270.188	1.261	5	40	CDBB	
Cc1noc(COCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1	71907490	VFPSCBRGHDIKQB-UHFFFAOYSA-N	292.251	1.442	5	40	CDBB	
Cn1c(CN2CCOCC2)nc2cc([N+](=O)[O-])ccc21	19858614	DDPBAIIIJLPMAK-UHFFFAOYSA-N	276.296	1.314	5	40	CDBB	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)OC1(C)C	198876	LZEQTOVZYQWNCU-UHFFFAOYSA-N	263.253	1.871	5	40	CDBB	
CNc1nc(N(C)Cc2ccccc2)nc(N)c1[N+](=O)[O-]	4140228	CSEJCMWWBYEMSH-UHFFFAOYSA-N	288.311	1.645	5	40	CDBB	
Cc1nn(CCC(=O)Nc2cnccn2)c(C)c1[N+](=O)[O-]	97146022	UJGASGJJLAHPCI-UHFFFAOYSA-N	290.283	1.227	5	40	CDBB	
CCNC(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1	71892858	JFGDQFNEORKFCG-UHFFFAOYSA-N	298.368	1.503	5	40	CDBB	
Nc1nc(NCc2ccc(F)cc2)ncc1[N+](=O)[O-]	32709456	MWJSRZUEGWNDPI-UHFFFAOYSA-N	263.232	1.718	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)NC1CCCCC1	197055	ICMKCODZEGIFFK-UHFFFAOYSA-N	266.301	1.549	5	40	CDBB	
CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1	32735884	ZKHKWQJLWNMTQA-SECBINFHSA-N	294.311	1.631	5	40	CDBB	
O=C(NCc1ccc(Cl)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-]	32931949	CPSBDKKLZGMSPM-ZJUUUORDSA-N	254.673	1.621	5	40	CDBB	
CC[C@H]1CCCCN1C(=O)Cn1nc([N+](=O)[O-])cc1C	343326	YDADEXDRJIFZIR-NSHDSACASA-N	280.328	1.891	5	40	CDBB	
C[N+]1(C[C@H]2COC3(CCCCC3)O2)CCOCC1	202469	XGAVRSHGIBDPMJ-ZDUSSCGKSA-N	256.366	1.539	5	40	CDBB	
CN(C)c1c([N+](=O)[O-])c(=O)oc2ccc([N+](=O)[O-])cc12	4186138	AOJKSZBTTLEHBZ-UHFFFAOYSA-N	279.208	1.675	5	40	CDBB	
Cc1ccc(NC(=O)CCC(=O)O)c([N+](=O)[O-])c1	8732319	OORUVVBJJJRJIQ-UHFFFAOYSA-N	252.226	1.707	5	40	CDBB	
NCC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	35963422	HCSGVLAAANFYGH-UHFFFAOYSA-N	263.341	1.808	5	40	CDBB	
NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1	8053534	HARJFRSRUJQHCW-QMMMGPOBSA-N	283.715	1.950	5	40	CDBB	
CNC(=O)[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1C	48922086	VMIICCINYZGDIS-CYBMUJFWSA-N	277.324	1.614	5	40	CDBB	
CC(C)[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)O	35390908	XPOIBXFAUQCIOJ-LLVKDONJSA-N	252.270	1.794	5	40	CDBB	
Cc1ccnc(NC[C@@H]2CCN(C)C(=O)C2)c1[N+](=O)[O-]	425270680	WPNKJRRXFKFWAE-SNVBAGLBSA-N	278.312	1.579	5	40	CDBB	
Cc1cc(C(=O)N[C@H](C)Cn2cccn2)ccc1[N+](=O)[O-]	24805377	GCDHCRZQRRUILD-LLVKDONJSA-N	288.307	1.918	5	40	CDBB	
COc1ccc(C(=O)Cn2cnc([N+](=O)[O-])n2)cc1	8295852	AETPHOFYVIKWIX-UHFFFAOYSA-N	262.225	1.078	5	40	CDBB	
Cc1ccnc(NCCc2nccn2C)c1[N+](=O)[O-]	70496017	UFOUDFKYAOOYKR-UHFFFAOYSA-N	261.285	1.686	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnccn2)c1	125679754	NFJSWHPVOKKEFD-UHFFFAOYSA-N	258.237	1.946	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C(=O)O)CC1	44747647	LFLIYTIKOVHFRD-UHFFFAOYSA-N	292.291	1.840	5	40	CDBB	
CCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1	69041860	DDCJXJYJANBQNG-UHFFFAOYSA-N	267.285	1.683	5	40	CDBB	
Nc1c(I)cccc1[N+](=O)[O-]	34514086	XARDPQJTCVUKGC-UHFFFAOYSA-N	264.022	1.782	5	40	CDBB	
CC[C@@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	31807276	NHROGRCUMZLJBN-SECBINFHSA-N	276.296	1.859	5	40	CDBB	
O=c1[nH]c(/C=C/C=C/c2ccco2)c([N+](=O)[O-])c(=O)[nH]1	107842671	WTPFPSUVWWELGL-NKZTZDQQSA-N	275.220	1.291	5	40	CDBB	
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1	4289896	FTJUFAJTUQBSLH-SECBINFHSA-N	259.225	1.118	5	40	CDBB	
C[C@H]1CN(C)CCN1CCc1ccc([N+](=O)[O-])cc1	71889230	XNWQXQOWROTARO-LBPRGKRZSA-N	263.341	1.773	5	40	CDBB	
C[C@@]1(C(=O)O)CC(c2cccc([N+](=O)[O-])c2)=NO1	71980999	LKAINDQBTCSWAP-NSHDSACASA-N	250.210	1.563	5	40	CDBB	
Cc1ccc(S(=O)(=O)Nc2ccon2)c([N+](=O)[O-])c1	96005666	OYJYKUGYLCVUOB-UHFFFAOYSA-N	283.265	1.692	5	40	CDBB	
CCS(=O)(=O)NCCNc1cccc(F)c1[N+](=O)[O-]	65604793	FKUPKORTTYDYSR-UHFFFAOYSA-N	291.304	1.085	5	40	CDBB	
Cc1n[nH]c(Sc2ccc(C=O)cc2[N+](=O)[O-])n1	5955502	FGDQMSLMJQSAOE-UHFFFAOYSA-N	264.266	1.985	5	40	CDBB	
Cc1nc(N(C)Cc2ccc(N)nc2)ccc1[N+](=O)[O-]	127112006	RYODRFJQSKWJEL-UHFFFAOYSA-N	273.296	1.912	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CO	40525436	RJZWAPSMBNNVOP-QMMMGPOBSA-N	253.258	1.406	5	40	CDBB	
O=C(CCN1C(=O)CCC1=O)Nc1cccc([N+](=O)[O-])c1	7916220	HLISBFVMPHUEAE-UHFFFAOYSA-N	291.263	1.072	5	40	CDBB	
Nc1nc(NCC2=Nc3ccccc3CN2)ncc1[N+](=O)[O-]	89865512	OJENPPYEXKXGJH-UHFFFAOYSA-N	299.294	1.212	5	40	CDBB	
O=C(NCC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-]	44914997	BVUBTSAYIREAKL-SNVBAGLBSA-N	264.281	1.894	5	40	CDBB	
O=C(O)c1cccc(Cn2cc([N+](=O)[O-])c([N+](=O)[O-])n2)c1	4980971	IMMBVUJHFXAKEP-UHFFFAOYSA-N	292.207	1.446	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)CN(CCn1cncn1)CC2	88607220	OFIRMFLTRYXKFL-UHFFFAOYSA-N	273.296	1.245	5	40	CDBB	
Cc1ccn(Cc2ccn(C(C)C)n2)c(=O)c1[N+](=O)[O-]	96472051	JLZPDQUFMPMIAZ-UHFFFAOYSA-N	276.296	1.891	5	40	CDBB	
CC(C)c1cc(N(C)CCn2cc([N+](=O)[O-])cn2)[nH]n1	96445734	MXPBCWPVZKGCLO-UHFFFAOYSA-N	278.316	1.774	5	40	CDBB	
O=c1[nH]cnc2oc(-c3ccc([N+](=O)[O-])cc3)nc12	12395115	WFZBEHHNVWIVAK-UHFFFAOYSA-N	258.193	1.486	5	40	CDBB	
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CCOC1	71799846	DOVKVHUOVYRZPT-ZJUUUORDSA-N	276.292	1.909	5	40	CDBB	
CS(=O)(=O)CCSc1sccc1[N+](=O)[O-]	95986647	QNXSKTWQOJOPOQ-UHFFFAOYSA-N	267.353	1.793	5	40	CDBB	
O=C1[C@@H](n2cc([N+](=O)[O-])cn2)CCCN1CC(F)(F)F	96496786	VUIVITBTFNEWHG-QMMMGPOBSA-N	292.217	1.517	5	40	CDBB	
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	39320966	MPRWEWCOYBUVNP-UHFFFAOYSA-N	280.099	1.761	5	40	CDBB	in-vitro
O=C(Nc1cccc([N+](=O)[O-])c1)c1csnn1	20894202	GJGFXOLXRBUYGN-UHFFFAOYSA-N	250.239	1.699	5	40	CDBB	
O=[N+]([O-])c1ccccc1N1CCN(Cc2ccno2)CC1	57369293	WTWCPWKHMFLWGP-UHFFFAOYSA-N	288.307	1.905	5	40	CDBB	
C[C@H]1C[C@H](C)CN(c2ncnc(N)c2[N+](=O)[O-])C1	3912632	KWHPIJCZFLCOQH-YUMQZZPRSA-N	251.290	1.449	5	40	CDBB	
C[C@@H](CO)N1CCN(c2ccccc2[N+](=O)[O-])CC1	72272283	BNNLRQDDNHCAAN-NSHDSACASA-N	265.313	1.098	5	40	CDBB	
C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccncc1	97084011	XGPNHBGBIBKVCG-SNVBAGLBSA-N	261.285	1.537	5	40	CDBB	
Cn1ncc(C(=O)O)c1C(=O)Nc1cccc([N+](=O)[O-])c1	36615509	JSIHKTNDAFKMBE-UHFFFAOYSA-N	290.235	1.279	5	40	CDBB	
COC(=O)[C@@H]1CN(C)C[C@@H]1c1ccc([N+](=O)[O-])cc1	217669758	IWSRWSNGUTXQKM-VXGBXAGGSA-N	264.281	1.413	5	40	CDBB	
CCC[N+](C)(C)CCOC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23	5352020	HZZUTTDRMYIDDZ-ITGHMWBKSA-N	296.387	1.214	5	40	CDBB	
CCN(/C=C/c1nnnn1-c1ccc([N+](=O)[O-])cc1)CC	19014716	LIJBHRQCXIEHBD-MDZDMXLPSA-N	288.311	1.883	5	40	CDBB	
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)[nH]1	23442020	OYYANLUNIVYQCP-UHFFFAOYSA-N	275.264	1.584	5	40	CDBB	
CN(CC(=O)O)C(=O)Nc1cccc([N+](=O)[O-])c1	21812498	YEUCYFFHFOXFMJ-UHFFFAOYSA-N	253.214	1.143	5	40	CDBB	in-vitro
O=c1[nH]c2ccc(Nc3ncccc3[N+](=O)[O-])cc2[nH]1	22798697	KSJJAMIWBOTGPZ-UHFFFAOYSA-N	271.236	1.903	5	40	CDBB	
COC(=O)c1ccc(Sc2nc(C)n[nH]2)c([N+](=O)[O-])c1	70462356	FHFWNJAOVVMOLC-UHFFFAOYSA-N	294.292	1.959	5	40	CDBB	
Nc1c([N+](=O)[O-])c(C2CCCCC2)nn1CCO	96527778	IQIQXWCRVRAUMC-UHFFFAOYSA-N	254.290	1.414	5	40	CDBB	
O=[N+]([O-])c1cccc(CNCCN2CCOCC2)c1	16399848	YDHYFHGSWVBLTJ-UHFFFAOYSA-N	265.313	1.017	5	40	CDBB	
C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1	24574138	BRDUDGLBRLNKFN-UWVGGRQHSA-N	293.323	1.303	5	40	CDBB	
COc1ccc(C(=O)N2CCOC[C@@H]2C)cc1[N+](=O)[O-]	25139845	ZBNNZYSRFXYJJL-VIFPVBQESA-N	280.280	1.464	5	40	CDBB	
O=C(O)c1c[nH]c(=S)n(-c2cccc([N+](=O)[O-])c2)c1=O	20156314	OOYQMPXWPXULSC-UHFFFAOYSA-N	293.260	1.501	5	40	CDBB	
Cc1ccnc2nc(Cn3cc([N+](=O)[O-])ccc3=O)[nH]c12	96010358	MWOSLWSHXXYAMV-UHFFFAOYSA-N	285.263	1.385	5	40	CDBB	
O=[N+]([O-])c1ccc(NCC2(O)CCOCC2)cc1	72293775	QZBUGTZWOSMFTJ-UHFFFAOYSA-N	252.270	1.548	5	40	CDBB	
C[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)[C@@H]1C	96501119	BTCKQCANFSUYKP-RKDXNWHRSA-N	299.352	1.477	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(NN(C)C)c([N+](=O)[O-])c1	5524994	MZDLTHGZYNCCJW-UHFFFAOYSA-N	284.228	1.178	5	40	CDBB	
Cc1cc(C(=O)N2CCOCC2)ccc1[N+](=O)[O-]	268822	SXKBDTPTTWBEJU-UHFFFAOYSA-N	250.254	1.376	5	40	CDBB	
C[N+](C)(C)CCCOC(=O)[C@@H]1OCCc2ccccc21	2154004	KSIHMBFKJABZSB-OAHLLOKOSA-N	278.372	1.940	5	40	CDBB	biogenic
CCCCNCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	7982494	QMMARBAOELWOEG-UHFFFAOYSA-N	281.312	1.932	5	40	CDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1[nH]ncc1[N+](=O)[O-]	4170289	XLFWGZZUWCCPEE-UHFFFAOYSA-N	277.196	1.478	5	40	CDBB	
Cc1nc(N2CCCC[C@H]2CNC(N)=O)ccc1[N+](=O)[O-]	90138447	OAPYBVIAZJQDAY-JTQLQIEISA-N	293.327	1.325	5	40	CDBB	
Nc1nc(Cn2cc([N+](=O)[O-])ccc2=O)nc2ccccc12	31672390	HXKNXKALYQGVSX-UHFFFAOYSA-N	297.274	1.330	5	40	CDBB	
O=[N+]([O-])/C=C\c1ccc(SCCO)c([N+](=O)[O-])c1	32124749	WULHLKZKAMFAFH-ARJAWSKDSA-N	270.266	1.927	5	40	CDBB	
CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1ccc(N)nc1	225457806	ZPXPVAWIOUVNOJ-UHFFFAOYSA-N	290.327	1.733	5	40	CDBB	
CCn1nc(I)cc1[N+](=O)[O-]	953126677	HMOPGQVYYPLAQC-UHFFFAOYSA-N	267.026	1.416	5	40	CDBB	
Cc1csc([C@](O)(C[N+](=O)[O-])C(F)(F)F)n1	40556072	BUJZSYUUNBSOKS-ZCFIWIBFSA-N	256.205	1.478	5	40	CDBB	
Cc1ccccc1/C=C\c1nc(O)c([N+](=O)[O-])c(=O)[nH]1	9010311	KGAHESWSRBIQTO-SREVYHEPSA-N	273.248	1.863	5	40	CDBB	
C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCCC1	57308095	AOCVPNXQSZWWML-NSHDSACASA-N	277.324	1.809	5	40	CDBB	
Cc1nc2ccccc2nc1Cn1cnc([N+](=O)[O-])n1	48356075	WLDXFZQACZIBSH-UHFFFAOYSA-N	270.252	1.486	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(N[C@H](C)C(=O)O)c([N+](=O)[O-])c1	3884563	DVLHHRWRGJGLKJ-ZCFIWIBFSA-N	269.213	1.696	5	40	CDBB	
O=C(NCCO)c1ccc(-c2ccccc2[N+](=O)[O-])o1	8020215	JEOUAYYTIJZKNS-UHFFFAOYSA-N	276.248	1.577	5	40	CDBB	
O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1ccccn1	97102263	XNRBGLQIULPWNB-UHFFFAOYSA-N	271.232	1.946	5	40	CDBB	
O=C(c1cnccn1)N1CCCc2c1cccc2[N+](=O)[O-]	95436684	LDWQCLWXAMTQCR-UHFFFAOYSA-N	284.275	1.978	5	40	CDBB	
C[C@H]1CN(c2c([N+](=O)[O-])ccc3c2CCN3)C[C@@H](CO)O1	225516415	GIDNSNKKSPAJOZ-UWVGGRQHSA-N	293.323	1.149	5	40	CDBB	
O=[N+]([O-])c1cc(I)cc(CO)c1	91692398	UQEGCABWCVSZPO-UHFFFAOYSA-N	279.033	1.692	5	40	CDBB	
Cc1ccc(CN2CCC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-]	93808690	KGONSXUJRPDFSU-GFCCVEGCSA-N	291.351	1.991	5	40	CDBB	
Cc1ccc(N[C@@]2(C)CS(=O)(=O)C[C@H]2[N+](=O)[O-])cc1	5337609	NCFNSTCXMUWFPM-NEPJUHHUSA-N	284.337	1.239	5	40	CDBB	
O=C(O)CCCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	1557952	VRPPKZLUGZULNT-YFKPBYRVSA-N	294.518	1.883	5	40	CDBB	
COC(=O)c1ccc(OC)c(Cn2cc([N+](=O)[O-])cn2)c1	12395692	OKTUWVCQNWWVSH-UHFFFAOYSA-N	291.263	1.635	5	40	CDBB	
C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1C[C@@H]2CC[C@@H]1C2	101527668	GRISJYFIOPYNHE-LNFKQOIKSA-N	292.339	1.883	5	40	CDBB	
CCNC(=O)NC(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-]	12930430	DSTPNLPQQJOWKR-SECBINFHSA-N	295.295	1.516	5	40	CDBB	
CN(C)CCN1CCCN(c2ccccc2[N+](=O)[O-])CC1	69458135	RFYREIARVKBLRA-UHFFFAOYSA-N	292.383	1.669	5	40	CDBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCOCC1	4761225	WNIIGJJIMJXTIX-UHFFFAOYSA-N	266.253	1.564	5	40	CDBB	
C[C@@H](C[S@@](C)=O)N(C)c1ccc([N+](=O)[O-])cn1	96011437	HZBKSLQETRTVRW-QPFGOUBPSA-N	257.315	1.193	5	40	CDBB	
O=c1cc(CO)occ1OCc1ccc([N+](=O)[O-])cc1	94333496	RAGDZUGOBOBEOE-UHFFFAOYSA-N	277.232	1.619	5	40	CDBB	
CCCc1nnnn1Cc1c(F)cccc1[N+](=O)[O-]	68779616	KYZAIRUNZFEEFF-UHFFFAOYSA-N	265.248	1.721	5	40	CDBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C)c1C	8877550	GDQJFWXZDBTBQK-UHFFFAOYSA-N	258.299	1.462	5	40	CDBB	
CC(=O)NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O	30937319	MUKDYZRSYKMFOR-UHFFFAOYSA-N	299.242	1.395	5	40	CDBB	
CCOC(=O)c1c(N)sc(-n2cc([N+](=O)[O-])cn2)c1C	2537678	IVVSWAZDPMVUDE-UHFFFAOYSA-N	296.308	1.909	5	40	CDBB	
Cc1cn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1	372107	VBGUCSXEBKXRQN-UHFFFAOYSA-N	267.266	1.337	5	40	CDBB	
CCN(CC)C(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	32778960	MVFUOAACJJPZSX-UHFFFAOYSA-N	293.279	1.371	5	40	CDBB	
CC(C)CNC(=O)COc1ccccc1[N+](=O)[O-]	3382146	JOGBVYYMKRVZTE-UHFFFAOYSA-N	252.270	1.746	5	40	CDBB	
CC(C)(O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	96435842	MWHIIVAHVKRGQQ-UHFFFAOYSA-N	262.269	1.624	5	40	CDBB	
C[S@@](=O)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1	76772794	RGNBUDSANTXZMK-IBGZPJMESA-N	285.325	1.485	5	40	CDBB	
Cc1ccc(C)n1C1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1	89652244	NYGUGGAEYFMVJZ-KGLIPLIRSA-N	291.351	1.934	5	40	CDBB	
O=C(O)Cc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1	94992652	IELDSAAOXSAHPQ-UHFFFAOYSA-N	292.169	1.723	5	40	CDBB	
O=[N+]([O-])c1nn(C2CCCCC2)c2ncnc(O)c12	3852404	GVWQYVNZJJWZKR-UHFFFAOYSA-N	263.257	1.945	5	40	CDBB	
COc1n[nH]c(C(=O)NCc2ccccc2)c1[N+](=O)[O-]	18172649	XZJYYTUHGOTCEN-UHFFFAOYSA-N	276.252	1.257	5	40	CDBB	
O=C(CNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1	5763756	UHKOTUJZSIUOBW-UHFFFAOYSA-N	274.232	1.801	5	40	CDBB	
CC1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCNCC1	125641645	DZPOYWLVYJKBRC-UHFFFAOYSA-N	291.351	1.643	5	40	CDBB	
O=C(O)c1csc(=Nc2ccccc2[N+](=O)[O-])[nH]1	604941575	IYRUTFRSFFVKMI-UHFFFAOYSA-N	265.250	1.915	5	40	CDBB	
O=C(O)[C@@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-]	12021478	IVIIFDNIJAIELF-NSHDSACASA-N	278.264	1.674	5	40	CDBB	
CC[C@H](C)NC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	28004744	DQNZNOMHYGLHNH-QMMMGPOBSA-N	293.279	1.417	5	40	CDBB	
CCOC(=O)c1cn([C@H](CC)C(=O)O)nc1[N+](=O)[O-]	408715600	BYMUGHDDPGFFRJ-SSDOTTSWSA-N	271.229	1.004	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC1	24434236	YUCMQHNTJLMMMD-UHFFFAOYSA-N	286.309	1.292	5	40	CDBB	
CCC(=O)N[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1	96429329	WDILKMOADCYPJL-NSHDSACASA-N	292.339	1.793	5	40	CDBB	
COc1nonc1O[C@H](C)CNc1ccc([N+](=O)[O-])cc1	5357293	OCELURPNIFFMQE-MRVPVSSYSA-N	294.267	1.866	5	40	CDBB	
COc1c(Br)cc(CO)c([N+](=O)[O-])c1OC	1666634	GUHOZFSDFXQSTJ-UHFFFAOYSA-N	292.085	1.867	5	40	CDBB	
COC[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	7377021	HDLJCATZZXXTHZ-VIFPVBQESA-N	288.325	1.216	5	40	CDBB	
CCNC(=O)CNc1cc(OC)c([N+](=O)[O-])cc1F	130870917	OOCIIXAVPCPQBA-UHFFFAOYSA-N	271.248	1.291	5	40	CDBB	
CCc1cnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)s1	96431793	XAONLBOUSJXXAL-UHFFFAOYSA-N	295.324	1.839	5	40	CDBB	
O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc([N+](=O)[O-])o1	19392302	ONOJXRTZZGHNGG-UHFFFAOYSA-N	292.203	1.844	5	40	CDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)/N=c2/cccc[nH]2)c1	3900341	AQGKUVNMQYSMHP-UHFFFAOYSA-N	279.277	1.213	5	40	CDBB	
CC(C)(CO)Nc1ncc(Br)cc1[N+](=O)[O-]	40713384	ZUCWKFITCLFFBX-UHFFFAOYSA-N	290.117	1.935	5	40	CDBB	
C[N+]1([O-])[C@H]2CC[C@@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2	4787213	CRDMNHQVXBRJTR-SFKIEKTPSA-N	291.347	1.901	5	40	CDBB	
CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])o1	53437882	ODLSNKORTJTLDV-VIFPVBQESA-N	268.269	1.829	5	40	CDBB	
C[N+]1([O-])[C@@H]2CC[C@@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2	104106655	CRDMNHQVXBRJTR-RXKGYNAASA-N	291.347	1.901	5	40	CDBB	
Cc1ccc(NC(=O)NCc2nncn2C)cc1[N+](=O)[O-]	43147360	MVMIMDDXCXBFIM-UHFFFAOYSA-N	290.283	1.353	5	40	CDBB	
Cc1ccc(NC(=O)CN2CCN(C)CC2)cc1[N+](=O)[O-]	23991026	BOVIRAAEUQKBOK-UHFFFAOYSA-N	292.339	1.089	5	40	CDBB	
O=C(NC1CC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	6884171	WLRCTQILWOCRNW-UHFFFAOYSA-N	274.232	1.593	5	40	CDBB	
CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@H]1O	72301751	DYYJVADFYIMGBM-TVQRCGJNSA-N	293.323	1.527	5	40	CDBB	
CS(=O)(=O)c1nccn1Cc1ccccc1[N+](=O)[O-]	81272221	DZJUURZCSACMGQ-UHFFFAOYSA-N	281.293	1.243	5	40	CDBB	
COC(=O)C1=NO[C@@H](COc2ccc([N+](=O)[O-])cc2)C1	5759613	GFSRCIUMLTTXQO-SNVBAGLBSA-N	280.236	1.292	5	40	CDBB	
COC(=O)/C=C1/Nc2ccc([N+](=O)[O-])cc2NC1=O	17060320	HVJMKVJDEGUEKN-WEVVVXLNSA-N	263.209	1.016	5	40	CDBB	
O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc([N+](=O)[O-])o1	19389026	NWNRPBQWXLQCCS-UHFFFAOYSA-N	292.203	1.844	5	40	CDBB	
COC(=O)/C=C1/Nc2cc([N+](=O)[O-])ccc2NC1=O	100282194	ZYPUSFLXOBXGJG-WEVVVXLNSA-N	263.209	1.016	5	40	CDBB	
Cn1ccnc1-c1nn(CCO)c2ccc([N+](=O)[O-])cc12	11906211	NTORENRVCRRDDI-UHFFFAOYSA-N	287.279	1.337	5	40	CDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	2771758	ARNQGGVJMQDMBG-KCJUWKMLSA-N	299.670	1.845	5	40	CDBB	
C[C@]1(CO)CCC[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-]	76061153	FUSOGUYXVOTUJU-GXTWGEPZSA-N	293.323	1.657	5	40	CDBB	
O=C(OCc1cccc([N+](=O)[O-])c1)C1=COCCO1	3463538	SNLKCQYUWRAXJC-UHFFFAOYSA-N	265.221	1.526	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(N2CCCCCC2)n1	5249772	GRVUVFAIJCLCPT-UHFFFAOYSA-N	266.305	1.389	5	40	CDBB	
CCOCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1	4976507	SBHYVHSMARXCFO-UHFFFAOYSA-N	282.252	1.113	5	40	CDBB	
O=C(O)c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1	21519970	WHFNNNWKLGEWGD-UHFFFAOYSA-N	274.232	1.503	5	40	CDBB	
O=C1NC(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)S1	33286175	NIKHJYBOXDDCAS-MBXJOHMKSA-N	294.244	1.647	5	40	CDBB	
Cc1cc(O)ccc1NC(=O)CCn1cc([N+](=O)[O-])cn1	96418688	VCYGEKPJSCMYRP-UHFFFAOYSA-N	290.279	1.834	5	40	CDBB	
CC1(C)COC2(OC1)C(=O)Nc1c([N+](=O)[O-])cccc12	725328058	RAFXUJPYWBNQCF-UHFFFAOYSA-N	278.264	1.773	5	40	CDBB	
O=C(Nc1nc[nH]n1)c1cccc(Cl)c1[N+](=O)[O-]	96456892	SEHBRUXNKDWKAA-UHFFFAOYSA-N	267.632	1.619	5	40	CDBB	
Cc1cc(NC(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)no1	2791421	IPWSPBDIUCDLDI-SSDOTTSWSA-N	279.256	1.363	5	40	CDBB	
Cc1cc(C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-]	23421650	ICPNMLJCHXZKAQ-UHFFFAOYSA-N	277.324	1.727	5	40	CDBB	
CCCn1nnnc1COc1ccc(OC)cc1[N+](=O)[O-]	8202326	XYKZGYMZXBDKGS-UHFFFAOYSA-N	293.283	1.579	5	40	CDBB	
Nc1c([N+](=O)[O-])cc(S(=O)(=O)O)c2ccccc12	4062525	IRAFAUPOUKQIQL-UHFFFAOYSA-N	268.250	1.577	5	40	CDBB	
COCCn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O	69451995	JJDZUHCZARUJIS-UHFFFAOYSA-N	265.225	1.058	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1	5163699	DNPQTZZKBVRADW-UHFFFAOYSA-N	266.305	1.245	5	40	CDBB	
O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc([N+](=O)[O-])cc1	4392694	FDZWGLDXVDSGPV-VIFPVBQESA-N	298.320	1.358	5	40	CDBB	
CN(CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O)C1CC1	97114580	GEMFNXCDMMDTBN-UHFFFAOYSA-N	299.714	1.987	5	40	CDBB	
C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	95421201	SHMWKPQQPHAEOH-QWRGUYRKSA-N	275.312	1.926	5	40	CDBB	
CCOc1ccc(N2C[C@@H](C(=O)O)CC2=O)c([N+](=O)[O-])c1	70461186	HCEPYSWBUFAIDT-QMMMGPOBSA-N	294.263	1.431	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCCNC2)cc1	70120898	DBWWREKDKUMRKP-SNVBAGLBSA-N	299.352	1.015	5	40	CDBB	
Nc1nc(N2CCO[C@H]3CCCC[C@H]32)ncc1[N+](=O)[O-]	230121980	RKCRJSPVHGRCFM-SCZZXKLOSA-N	279.300	1.115	5	40	CDBB	
CNc1ccc(C(=O)O[C@H]2CCOC2=O)cc1[N+](=O)[O-]	4509417	VEHUECXIUZKMLD-JTQLQIEISA-N	280.236	1.109	5	40	CDBB	
C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)S(C)(=O)=O	71971430	ABYSIWUGMSXNEK-LURJTMIESA-N	290.272	1.106	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccncc1	73658975	HGUMWYZHNWQHIP-UHFFFAOYSA-N	259.221	1.948	5	40	CDBB	
Cc1ccccc1CNC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1	95994864	UQMBGKXIZWNQLN-LLVKDONJSA-N	288.307	1.977	5	40	CDBB	
COC[C@H](C)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1	80857143	JYJJEWHPZSXWQL-ZDUSSCGKSA-N	293.367	1.747	5	40	CDBB	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	245344148	XVIXDFZUPCBFAR-SUNKGSAMSA-N	289.335	1.913	5	40	CDBB	
O=C(NCCNc1cnccn1)c1ccc([N+](=O)[O-])cc1	40505011	BIHQPRPFRHDSDP-UHFFFAOYSA-N	287.279	1.227	5	40	CDBB	
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)N1CCCCC1	3154495	YZSRNGHESVCCEX-UHFFFAOYSA-N	295.251	1.835	5	40	CDBB	
Cc1cccc(Cn2nc([N+](=O)[O-])cc2C(=O)O)c1	368958	FURRFXKSOBFGBH-UHFFFAOYSA-N	261.237	1.846	5	40	CDBB	
Cc1cnc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)s1	12599414	IQFHONGRJOPJCX-UHFFFAOYSA-N	295.324	1.812	5	40	CDBB	
CS(=O)(=O)c1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1	49065373	RQIFDFQCRRISSD-UHFFFAOYSA-N	298.320	1.234	5	40	CDBB	
COCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	14397989	KNLASHKCIPEMIB-UHFFFAOYSA-N	288.325	1.218	5	40	CDBB	
COC(=O)/C=C/S(=O)(=O)c1cc(C)ccc1[N+](=O)[O-]	9614768	QCBNQECNSNUBGM-AATRIKPKSA-N	285.277	1.364	5	40	CDBB	
COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c1	13992173	NYRKYDQLOLYPTG-PWSUYJOCSA-N	268.244	1.431	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])/N=c1\[nH]nc2ccccn12	31805007	XSQCRWGNQAGWPB-UHFFFAOYSA-N	297.274	1.241	5	40	CDBB	
CCOC(=O)C1=C(C)NC(=N)N[C@H]1c1ccc([N+](=O)[O-])o1	107960565	HOSDWYPRQUNXAF-JTQLQIEISA-N	294.267	1.194	5	40	CDBB	
C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)[C@H]1C	110712913	BTCKQCANFSUYKP-IUCAKERBSA-N	299.352	1.477	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCN2CCC(CO)CC2)c(F)c1	68764350	RMBUIXPUBRWBSI-UHFFFAOYSA-N	297.330	1.850	5	40	CDBB	
COc1cc(N2CCOCC2)c([N+](=O)[O-])cc1C(=O)O	45957525	JQKBSNYFVYHTME-UHFFFAOYSA-N	282.252	1.138	5	40	CDBB	
NS(=O)(=O)c1c(Br)cccc1[N+](=O)[O-]	169809222	RCHJYAUUOJYAQV-UHFFFAOYSA-N	281.087	1.005	5	40	CDBB	
CC(C)(C)C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1	14257565	ZBFCCZBNKPAKST-UHFFFAOYSA-N	296.352	1.959	5	40	CDBB	
Cc1nn(C)c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-]	2780949	CDIVITOWIHBMRK-WCBMZHEXSA-N	280.328	1.945	5	40	CDBB	
O=C(COc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCCO1	6601266	JVZWPOIFADMGNZ-JTQLQIEISA-N	298.270	1.408	5	40	CDBB	
CC(C)[C@H](N)c1n[nH]c(-c2ccc(O)c([N+](=O)[O-])c2)n1	95534796	KZLNAZACYHUILI-JTQLQIEISA-N	277.284	1.741	5	40	CDBB	
Nc1nnc(Sc2ccc([N+](=O)[O-])cc2C=O)s1	16385770	YZEBFIBRTQSEGJ-UHFFFAOYSA-N	282.306	1.992	5	40	CDBB	
CNC(=O)NC(=O)COc1c(C)ccc([N+](=O)[O-])c1C	31459647	VJUYVTAYIJXFRA-UHFFFAOYSA-N	281.268	1.046	5	40	CDBB	
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)N1CCOCC1	504406	NTSMNHZOGHYKCZ-UHFFFAOYSA-N	296.327	1.098	5	40	CDBB	
COc1c2c(cc3c1[C@H]([C@H](C)[N+](=O)[O-])N(C)CC3)OCO2	33318753	DMFKDBXYGPGBMW-UFBFGSQYSA-N	294.307	1.618	5	40	CDBB	biogenic
CNC(=O)COc1ccc2[nH]c3ccccc3c(=O)c2c1	12521532	DAJSQKVYECMPQM-UHFFFAOYSA-N	282.299	1.806	5	40	CDBB	
Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n1	12790698	ITWQUCPFADISTD-UHFFFAOYSA-N	274.236	1.239	5	40	CDBB	
COc1n[nH]c(C(=O)Nc2ccc(F)c(F)c2)c1[N+](=O)[O-]	6786444	ROAFKWBZVLZVRF-UHFFFAOYSA-N	298.205	1.857	5	40	CDBB	
NC1=N[C@@H](c2ccc([N+](=O)[O-])o2)n2c(nc3ccccc32)N1	4864695	MJBDJYFOGFLXAU-LLVKDONJSA-N	298.262	1.825	5	40	CDBB	
Cc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)s1	9010334	IMWGDILRENNQCI-PLNGDYQASA-N	279.277	1.924	5	40	CDBB	
COC(=O)c1nn(Cc2ccccc2)cc1[N+](=O)[O-]	72233520	HTDPPRRYQBHSFB-UHFFFAOYSA-N	261.237	1.626	5	40	CDBB	
C[C@H]1CCNC(=O)[C@@H]1NCc1ccc([N+](=O)[O-])cc1	193566646	CFRFHLPKYKUNBU-JOYOIKCWSA-N	263.297	1.209	5	40	CDBB	
CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])o2)C1=O	197382736	YCFGRCYBRIEDCQ-XQRVVYSFSA-N	254.223	1.854	5	40	CDBB	
CS(=O)(=O)c1sc(N)nc1-c1ccc([N+](=O)[O-])cc1	96532963	NTPHKHPAARHNPH-UHFFFAOYSA-N	299.333	1.704	5	40	CDBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCO1	95368	QZCNBJDBPPTBAS-KTRBRXNASA-N	276.292	1.903	5	40	CDBB	
CC(C)[C@@](C)(NC(=O)c1ccccc1[N+](=O)[O-])C(N)=O	3850930	AZWLVOSUAYAWGW-CYBMUJFWSA-N	279.296	1.225	5	40	CDBB	
Nc1nc(N[C@H](CCO)C2CCCCC2)ncc1[N+](=O)[O-]	71911563	LYAPEWVPLDJNIZ-SNVBAGLBSA-N	295.343	1.710	5	40	CDBB	
O=C1OCC[C@H]1N1CCN(c2ccccc2[N+](=O)[O-])CC1	37187814	XAHDFGOWZBMSHT-CYBMUJFWSA-N	291.307	1.032	5	40	CDBB	
CSCC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)O	62717974	ODQGOEDRXIJFOL-LLVKDONJSA-N	284.337	1.891	5	40	CDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CSCN1	20373666	UUOHCLPRGWWICU-VIFPVBQESA-N	253.283	1.196	5	40	CDBB	
C[C@@H](CN1CCCC1=O)Nc1ncccc1[N+](=O)[O-]	48332871	QEDQJGMVGOKKPH-VIFPVBQESA-N	264.285	1.413	5	40	CDBB	
O=C1NC(C(=O)O)=C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	5517543	ZFRQKLZGJTVTNN-SSDOTTSWSA-N	297.654	1.571	5	40	CDBB	
O=[N+]([O-])c1c(N[C@H]2CC[S@@](=O)C2)nc2sccn12	76093000	DXAXYWHSKHMNCC-QQOXFEPMSA-N	286.338	1.237	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CC=CCC2)n1	95450538	REEGPMHTROXKAA-VIFPVBQESA-N	265.269	1.841	5	40	CDBB	
C[C@@H](CNc1ccncc1[N+](=O)[O-])N1CCOC[C@@H]1C	79002711	XRCMNIMYAJWEJK-QWRGUYRKSA-N	280.328	1.511	5	40	CDBB	
C[N@+]12CCCC[C@@H]1[C@@H](CON1C(=O)CCC1=O)CCC2	254498738	QQJOVQVFUJPRNJ-PBFPGSCMSA-N	281.376	1.476	5	40	CDBB	
Cc1ccc(C(=O)NCCCC(=O)O)cc1[N+](=O)[O-]	19265882	LUEHKUCPTDICET-UHFFFAOYSA-N	266.253	1.498	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)ncn2CN1CCOCC1	19594016	BGJAGKNPNKNGLG-UHFFFAOYSA-N	262.269	1.234	5	40	CDBB	
C[N+]1(C[C@H](O)COc2ccccc2F)CCOCC1	3180614	KQENXQPWLUROFM-LBPRGKRZSA-N	270.324	1.042	5	40	CDBB	
O=[N+]([O-])c1c(N2CCOCC2)cc(Cl)c2nonc12	3882520	KCDVLESKXQDBPH-UHFFFAOYSA-N	284.659	1.621	5	40	CDBB	
Cc1ccc(OCC(=O)c2ccc[nH]2)c([N+](=O)[O-])n1	7976637	SKUZMRDJDXBTLQ-UHFFFAOYSA-N	261.237	1.888	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCOCC1	24165020	WPCXCLXOWXUHRV-UHFFFAOYSA-N	279.296	1.174	5	40	CDBB	
O=C(COc1cccc([N+](=O)[O-])c1)NO[C@H]1CCCCO1	69417288	WKMFGKNJWABEIA-ZDUSSCGKSA-N	296.279	1.548	5	40	CDBB	
O=C(NCc1c[nH]cn1)Nc1ccc([N+](=O)[O-])cc1	76041921	PFRLCLXDNJYSET-UHFFFAOYSA-N	261.241	1.640	5	40	CDBB	
CN(CC1CC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	76848785	UZJKEXCUNSCPDB-UHFFFAOYSA-N	274.280	1.678	5	40	CDBB	
Cc1cc(COC(=O)c2ccnn2C)ccc1[N+](=O)[O-]	96500509	YXAAGVAVRADEHQ-UHFFFAOYSA-N	275.264	1.994	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC1	6638182	QTNWOEVCMQOZGW-UHFFFAOYSA-N	263.297	1.938	5	40	CDBB	
CC(C)N(C(=O)Cn1cnc([N+](=O)[O-])c1)C(C)C	12552295	VOIGKYXADQTRNM-UHFFFAOYSA-N	254.290	1.437	5	40	CDBB	
Cc1cc(NCc2nccc(N)n2)ccc1[N+](=O)[O-]	92684364	UTIOHGPUHOJEBP-UHFFFAOYSA-N	259.269	1.888	5	40	CDBB	
Cc1ccc(NC(=O)[C@H](C)N(C)C)cc1[N+](=O)[O-]	75105594	XGPOQIUPNZWQQB-VIFPVBQESA-N	251.286	1.792	5	40	CDBB	
Cc1nn(C)c(N[C@@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-]	80571372	ZAPKQKABKTVMPC-NWDGAFQWSA-N	288.307	1.707	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCOCC1	16642839	JMDWOHRCCANQEX-UHFFFAOYSA-N	266.253	1.076	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1=COCCO1	14232840	AAORCSOLJQCRKY-UHFFFAOYSA-N	280.236	1.430	5	40	CDBB	
Cn1cnnc1Sc1cc2c(cc1[N+](=O)[O-])OCCO2	6557876	VDCNTEKADOBCJM-UHFFFAOYSA-N	294.292	1.646	5	40	CDBB	
O=c1c2c3c(sc2nc2ccc4nncn4n12)CCCC3	5753086	DQYYFVZECNXDFQ-UHFFFAOYSA-N	297.343	1.831	5	40	CDBB	
O=[N+]([O-])c1n[nH]c(Br)c1Br	77011359	OXDUHJKOCRBBCW-UHFFFAOYSA-N	270.868	1.843	5	40	CDBB	
N=c1[nH]c(NNc2ccc([N+](=O)[O-])cc2)ncc1F	408722735	WQXJUTGMQXZKKG-UHFFFAOYSA-N	264.220	1.375	5	40	CDBB	
Cc1cc([N+](=O)[O-])cc(N2C[C@@H](C(=O)O)CC2=O)c1O	70461216	VTBDWMFTDREWNR-ZETCQYMHSA-N	280.236	1.046	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(C(=O)O)cc1	37430540	NBUYZAVUGQPNKS-UHFFFAOYSA-N	290.235	1.128	5	40	CDBB	
CC[N+](C)(CC)CCNC(=O)c1ccccc1N	2039126	PPYRIHLUKWMQQU-UHFFFAOYSA-O	250.366	1.485	5	40	CDBB	
Cc1cc(C)c2c3oc(=O)cc(O)c3c(=O)n(C)c2c1	344043	VOKPCXPRAPEHHD-UHFFFAOYSA-N	271.272	1.967	5	40	CDBB	
C[S@](=O)c1nncn1-c1ccc([N+](=O)[O-])cc1Cl	69773411	FDCUFFMXYGPPFZ-GOSISDBHSA-N	286.700	1.566	5	40	CDBB	
O=[N+]([O-])c1cccnc1N1CCC(C2OCCO2)CC1	69207162	SROHIXANIZDBOF-UHFFFAOYSA-N	279.296	1.579	5	40	CDBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C)C1	75582106	CBKULCSQSZWYFH-VIFPVBQESA-N	284.337	1.934	5	40	CDBB	
C[C@@H]([C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96519334	JUBSMPOSEQSDNJ-OIBJUYFYSA-N	259.283	1.061	5	40	CDBB	
CN(Cc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCS(=O)(=O)C1	575422263	UIWHXMXGWUMWBY-CYBMUJFWSA-N	298.364	1.604	5	40	CDBB	
O=C(c1c(F)ccc([N+](=O)[O-])c1F)N1CCOCC1	165797	KRZCXYNWMQWJJY-UHFFFAOYSA-N	272.207	1.345	5	40	CDBB	
O=C(O)CCc1nc(-c2cccc([N+](=O)[O-])c2)no1	1440362	LTHVWDQMZRCARH-UHFFFAOYSA-N	263.209	1.662	5	40	CDBB	
O=c1[nH]cnc2c1ncn2Cc1ccc([N+](=O)[O-])cc1	8618545	AWOOIVCGPKFRJZ-UHFFFAOYSA-N	271.236	1.076	5	40	CDBB	
Cc1nn(C)c(C)c1Cn1nc(C)c([N+](=O)[O-])c1C	2741199	DBXYQDNHVKDIHP-UHFFFAOYSA-N	263.301	1.807	5	40	CDBB	
Cc1cc(C)n(C(=N)NC(=O)c2ccc([N+](=O)[O-])cc2)n1	13143011	AHIDPQZUUACSIY-UHFFFAOYSA-N	287.279	1.621	5	40	CDBB	
CC(C)C(=O)NCCNc1ccc([N+](=O)[O-])cn1	25371047	GSVOMBTXEBZYAU-UHFFFAOYSA-N	252.274	1.174	5	40	CDBB	
CCCc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2)no1	6204948	IPAHFWNWZCVPCZ-UHFFFAOYSA-N	290.279	1.860	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)c1ccccc1OC(F)F	69633249	KDVUINQVQVKLPW-UHFFFAOYSA-N	298.205	1.671	5	40	CDBB	
CC[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(OC(C)C)n1	408715984	HNPKOOXNEFDWIG-ZETCQYMHSA-N	257.246	1.614	5	40	CDBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cccnc2)c1	30860774	JEJFAOBXUFABSB-UHFFFAOYSA-N	293.304	1.932	5	40	CDBB	
O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]12	4104515	KSKYUERSKUVUJX-FQPOAREZSA-N	299.286	1.411	5	40	CDBB	
O=c1[nH]c(/C=C\c2cccc(Cl)c2)c([N+](=O)[O-])c(=O)[nH]1	30840538	NJFTZSDGBXWXJT-PLNGDYQASA-N	293.666	1.795	5	40	CDBB	
C[C@]1(CO)CCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1	95427202	HCQKTYWXTBSXOG-DZGCQCFKSA-N	292.335	1.805	5	40	CDBB	
CC[N+](C)(CC)CCOc1n[n+](C)cc2ccccc12	5469369	XNVPWFQWWZLMIK-UHFFFAOYSA-N	275.396	1.925	5	40	CDBB	
Cc1c(-c2nc(-c3nonc3N)no2)cccc1[N+](=O)[O-]	32637	BQHROPOJJHPJQB-UHFFFAOYSA-N	288.223	1.585	5	40	CDBB	
CC(=O)NCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	16321094	AKGCBZAGVVTVKW-UHFFFAOYSA-N	286.671	1.541	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])N1CCSCC1	40542212	URWQSYBATWIKME-UHFFFAOYSA-N	266.322	1.713	5	40	CDBB	
Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1C	2806219	SVGQHODQRUCLCL-UHFFFAOYSA-N	296.308	1.438	5	40	CDBB	
C[N+](C)(C)CCC[N+]1(C)C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1	4792425	KKHPAYCBXYKMHV-HZVVKTJVSA-N	250.430	1.981	5	40	CDBB	
Cn1nnnc1Sc1ccc(C=O)cc1[N+](=O)[O-]	8149177	NNMREQMZBYDDBF-UHFFFAOYSA-N	265.254	1.082	5	40	CDBB	
Cc1nc2ccccc2n1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	44465462	LCELQNXMUXZNHU-ZWNOBZJWSA-N	288.307	1.126	5	40	CDBB	
C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl	70069733	LYVSNBRIOOKNKK-SSDOTTSWSA-N	297.698	1.209	5	40	CDBB	
COCCCNC(=O)CSCc1cccc([N+](=O)[O-])c1	408723765	KQLAAQWFLBTOAT-UHFFFAOYSA-N	298.364	1.981	5	40	CDBB	
C[C@@H]([C@@H](c1ccccc1)N1CCOCC1)[N+](=O)[O-]	39379290	DZORMAWKUNFJHG-AAEUAGOBSA-N	250.298	1.725	5	40	CDBB	
COCCCNc1ccc(-c2nnc(N)o2)cc1[N+](=O)[O-]	216939940	VIQBBCZOKRCMIJ-UHFFFAOYSA-N	293.283	1.675	5	40	CDBB	
COC(=O)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1	78440870	HAYXNJMCNMAHKC-UHFFFAOYSA-N	297.286	1.618	5	40	CDBB	
COc1cccc(N2C[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-]	279344887	FBDAIHXGWVAGPP-LLVKDONJSA-N	266.297	1.811	5	40	CDBB	
CN(CC1(O)CCC1)c1ncc(Cl)cc1[N+](=O)[O-]	390833483	ICOCGCITKCXBMY-UHFFFAOYSA-N	271.704	1.994	5	40	CDBB	
C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1C[C@@H]2CC[C@@H]1C2	100562726	ONZJXTGMENCZSV-GWOFURMSSA-N	293.327	1.127	5	40	CDBB	
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)S(C)(=O)=O	71971431	ABYSIWUGMSXNEK-ZCFIWIBFSA-N	290.272	1.106	5	40	CDBB	
COC(=O)[C@@H]1CCCN1c1ccccc1[N+](=O)[O-]	39410899	ZKEIYKMRUDYLSA-NSHDSACASA-N	250.254	1.737	5	40	CDBB	
O=C(O)C1CCN(c2ncccc2[N+](=O)[O-])CC1	15443310	QGAAHRDLCVCDAG-UHFFFAOYSA-N	251.242	1.291	5	40	CDBB	
CCOC(=O)Nc1cc(Cl)c([N+](=O)[O-])c(N)n1	31666837	OLYIBLPNSTVJTR-UHFFFAOYSA-N	260.637	1.794	5	40	CDBB	
Cc1c(C(=O)NC[C@H]2COCCO2)cccc1[N+](=O)[O-]	40555968	AXVSWYMYMDEGJT-JTQLQIEISA-N	280.280	1.048	5	40	CDBB	
CCc1cc(OCCNC(C)=O)c(OC)cc1[N+](=O)[O-]	96137144	SUYYPGMXPXOSKF-UHFFFAOYSA-N	282.296	1.681	5	40	CDBB	
CO[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C	71799836	SPNPMGZIRCBOCC-BDAKNGLRSA-N	264.281	1.907	5	40	CDBB	
O=[N+]([O-])c1ccc(COn2nnc3ccccc32)cc1	204208	KWKWMNALQRRFJP-UHFFFAOYSA-N	270.248	1.968	5	40	CDBB	
C[C@@H](c1ccc([N+](=O)[O-])cc1)n1cnc2c(=O)[nH]cnc21	17378566	LUDZGOUDXAWMQU-QMMMGPOBSA-N	285.263	1.637	5	40	CDBB	
O=C(NO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])c(O)c1	69652885	HQAXSVMJVFUNOE-LLVKDONJSA-N	282.252	1.488	5	40	CDBB	
Nc1c([N+](=O)[O-])c(Cl)nc(Cl)c1[N+](=O)[O-]	21981807	URQUBZWTCDKZBI-UHFFFAOYSA-N	253.001	1.787	5	40	CDBB	
C[C@H](N(C)C(=O)Cn1cnc([N+](=O)[O-])n1)C(C)(C)C	48771775	PHBDHRMBFDVGTG-QMMMGPOBSA-N	269.305	1.079	5	40	CDBB	
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	3887583	QXXOOFQUSPEKGT-JTQLQIEISA-N	298.320	1.531	5	40	CDBB	
C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1	15174843	VTYPDDJSFYFXIR-VIFPVBQESA-N	299.352	1.479	5	40	CDBB	
CN(C)C(=O)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	9221312	FYXPCKFXQWZYHS-UHFFFAOYSA-N	278.312	1.294	5	40	CDBB	
CN1CC[C@H](N2Cc3ccc([N+](=O)[O-])cc3C2)C1=O	72764316	WPXHXBOFNPAOHP-LBPRGKRZSA-N	261.281	1.141	5	40	CDBB	
CC[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	96468037	DCEWKYCOZKPEGJ-LLVKDONJSA-N	293.323	1.548	5	40	CDBB	
O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1C[C@H]1[N+](=O)[O-]	47250199	XPAAFYVFCBXOLE-VHSXEESVSA-N	278.264	1.452	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2ccc(N3CCNCC3)nn2)c1	11567990	MLGMDDICIVYXHD-UHFFFAOYSA-N	285.307	1.461	5	40	CDBB	
Nc1ccc2nc3c4ccccc4c(=O)n-3[nH]c2c1	1735501	HNHSNDPCYXOQSW-UHFFFAOYSA-N	250.261	1.887	5	40	CDBB	
NS(=O)(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	4366893	JNMYHXDAWVTDMS-UHFFFAOYSA-N	293.304	1.986	5	40	CDBB	
CCC(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1	20496175	OFLGWGQJRNADLW-UHFFFAOYSA-N	262.225	1.993	5	40	CDBB	
COC(=O)c1occc1Cn1cnc([N+](=O)[O-])c1	26981820	UEPMQSFWVZNFKV-UHFFFAOYSA-N	251.198	1.219	5	40	CDBB	
Nc1cc([N+](=O)[O-])ccc1S[C@H]1CCS(=O)(=O)C1	4107580	SDSCXSBPOQSXNN-QMMMGPOBSA-N	288.350	1.456	5	40	CDBB	
COc1cc(N2CCC(C(=O)O)CC2)ccc1[N+](=O)[O-]	14007588	VBGWZNJXSVMSCH-UHFFFAOYSA-N	280.280	1.904	5	40	CDBB	
Cc1c(N2C[C@H](C(=O)O)CC2=O)cccc1[N+](=O)[O-]	45953593	CKQOSVDGVUENSD-MRVPVSSYSA-N	264.237	1.341	5	40	CDBB	
C[C@@H](O)[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	97232759	DFBRNRHAVABDRV-RISCZKNCSA-N	292.335	1.899	5	40	CDBB	
O=C1[C@@H]2CCCN2C(=O)N1c1ccc([N+](=O)[O-])cc1	5554645	YBVPBJJXZLGPPB-JTQLQIEISA-N	261.237	1.526	5	40	CDBB	
Cc1cc(Br)c(P(=O)(O)O)cc1[N+](=O)[O-]	1726095	WKIPZPQEUFEUOB-UHFFFAOYSA-N	296.013	1.469	5	40	CDBB	
CC[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-]	2679920	QJKOJNFYUVMMIU-WDEREUQCSA-N	268.313	1.723	5	40	CDBB	
C[C@]1(Cl)C(=O)NN=C1c1ccc([N+](=O)[O-])cc1	4991501	PKMIQRXXRIDMQR-SNVBAGLBSA-N	253.645	1.426	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)C2)nn1C	2777872	UTCALQNXGPRYSR-MRVPVSSYSA-N	266.301	1.509	5	40	CDBB	
C[N+](C)(C)CCCOC(=O)[C@H]1OCCc2ccccc21	4061460	KSIHMBFKJABZSB-HNNXBMFYSA-N	278.372	1.940	5	40	CDBB	biogenic
Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCCCC1	49446188	LETANUQKYXAIIF-UHFFFAOYSA-N	266.301	1.549	5	40	CDBB	
O=Cc1cc(I)c(O)c([N+](=O)[O-])c1	6057270	NVMYBVZAFRMSDV-UHFFFAOYSA-N	293.016	1.718	5	40	CDBB	
CCC[C@@H]1C(=O)NCCN1c1ncc(C)cc1[N+](=O)[O-]	96487427	SNMAAZQAVYMIIW-SNVBAGLBSA-N	278.312	1.403	5	40	CDBB	
CCOC(=O)Cc1cc([N+](=O)[O-])ccc1C(=O)OCC	95080490	UWOJJWGLKBTAPS-UHFFFAOYSA-N	281.264	1.877	5	40	CDBB	in-vitro
Cc1cc(C(=O)N[C@H](C)c2ncon2)cc([N+](=O)[O-])c1	95994418	QNAJLFZSWYHUQV-MRVPVSSYSA-N	276.252	1.777	5	40	CDBB	
NC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1	60363042	LDBZSLLOGBOLEQ-UHFFFAOYSA-N	282.275	1.325	5	40	CDBB	
O=[N+]([O-])c1ccc(CS(=O)(=O)NC2CCCC2)cc1	58356265	FTEWBJWRUAEQDB-UHFFFAOYSA-N	284.337	1.957	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCn2ncnn2)c2ccncc12	84363170	LEYPKJMIYKRZMV-UHFFFAOYSA-N	285.267	1.242	5	40	CDBB	
C[C@H](CO)[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1	84640239	GSIUPQWFMIZYAV-NXEZZACHSA-N	266.297	1.270	5	40	CDBB	
Cc1cc(N[C@@H]2CCCC[C@H]2C(N)=O)ncc1[N+](=O)[O-]	95972179	OHTCVEKKTGXVSI-NXEZZACHSA-N	278.312	1.754	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](C)C1	12527726	GNAWLNLUHPAAPC-SECBINFHSA-N	280.280	1.607	5	40	CDBB	
O=C(O)[C@H]1CS[C@H](c2ccccc2[N+](=O)[O-])N1	2750019	ZVOYQTDOMWNUHN-VXNVDRBHSA-N	254.267	1.383	5	40	CDBB	
COc1ccc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-]	16092625	HXTUDVZBZAUWEC-UHFFFAOYSA-N	272.282	1.044	5	40	CDBB	
Cn1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1=O	95948428	HAGPLCKRXRNNGM-UHFFFAOYSA-N	273.248	1.546	5	40	CDBB	
Nc1c([N+](=O)[O-])cnn1Cc1cnc(Cl)s1	95976500	QCMFFJKYMSMAQF-UHFFFAOYSA-N	259.678	1.532	5	40	CDBB	
Cn1cc([C@](C)(O)CNc2cccc(F)c2[N+](=O)[O-])cn1	96421023	KRODSHYXVFLMLA-CYBMUJFWSA-N	294.286	1.787	5	40	CDBB	
CC(C)Cc1nsc(-n2cc([N+](=O)[O-])cn2)n1	274588185	IUQOJGDLLQJEAN-UHFFFAOYSA-N	253.287	1.831	5	40	CDBB	
COc1ccc(NC(=O)CCC(=O)O)c([N+](=O)[O-])c1	5320625	DBBWQXIPXFGNTL-UHFFFAOYSA-N	268.225	1.407	5	40	CDBB	
O=C(NN1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-]	2737472	XLCVUJXMRJABCL-UHFFFAOYSA-N	285.687	1.225	5	40	CDBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CO	42433419	WSNWTEDNJVCMEI-SECBINFHSA-N	250.254	1.192	5	40	CDBB	
COc1ccc(C(=O)Nc2ccn(C)n2)cc1[N+](=O)[O-]	12567346	GONQSIDZEDZESL-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
Cc1c(NC(=O)c2ccc(=O)n(C)n2)cccc1[N+](=O)[O-]	14249078	FIKZEOXBDLJIEJ-UHFFFAOYSA-N	288.263	1.249	5	40	CDBB	
COc1cccc(Cc2cc(C)n[nH]c2=O)c1[N+](=O)[O-]	199775155	OWOQBVGXWLTBSR-UHFFFAOYSA-N	275.264	1.586	5	40	CDBB	
Cc1c(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cnn1C	97235733	CEFIQEXCQVXMPZ-UHFFFAOYSA-N	290.279	1.272	5	40	CDBB	
Cn1nccc1C(=O)OCCc1ccccc1[N+](=O)[O-]	89741110	ZZLZLXUANZBDMR-UHFFFAOYSA-N	275.264	1.728	5	40	CDBB	
COc1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-]	4343643	HSJZABGEHGMJRY-UHFFFAOYSA-N	262.225	1.579	5	40	CDBB	
Cc1nn(C)cc1Cn1cc(Cl)c([N+](=O)[O-])n1	2741188	ZVTCLABKCBBXKI-UHFFFAOYSA-N	255.665	1.535	5	40	CDBB	
O=[N+]([O-])c1ccc(OCCNC[C@@H]2CCCO2)cc1	3247108	PMKQXZUHPXLKAW-ZDUSSCGKSA-N	266.297	1.742	5	40	CDBB	
C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O	3379264	IJKNALURSDMKGW-YFKPBYRVSA-N	272.644	1.451	5	40	CDBB	
O=C(NC1CC1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	13656501	VOYIIIQEENSPLE-UHFFFAOYSA-N	290.323	1.485	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1OC[C@H]1CCCNC1	14631339	LMXCRCVBCOTBEG-JTQLQIEISA-N	266.297	1.982	5	40	CDBB	
O=[N+]([O-])c1ccc(SCN2CCOCC2)cc1	31637858	KTJWYUMKVRILEP-UHFFFAOYSA-N	254.311	1.977	5	40	CDBB	
COCCSCC(=O)Nc1cccc([N+](=O)[O-])c1	32779156	ZQRKETOXQQEIQZ-UHFFFAOYSA-N	270.310	1.913	5	40	CDBB	
CCOc1ccc(NC(=O)/C=C/C(=O)O)c([N+](=O)[O-])c1	5247631	FLESIQSNLIUBLG-AATRIKPKSA-N	280.236	1.573	5	40	CDBB	
O=C(O)C1=C[C@@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1	102243562	JSUTYRCFTLEARS-JTQLQIEISA-N	287.235	1.170	5	40	CDBB	
COc1cc(C(=O)OCC(C)=O)c([N+](=O)[O-])cc1OC	4581190	VAMARIIZQHPCAY-UHFFFAOYSA-N	283.236	1.358	5	40	CDBB	
Cc1ccc(OCC(=O)NCC(F)(F)F)c([N+](=O)[O-])n1	5970074	VOKQEJGYTMPREI-UHFFFAOYSA-N	293.201	1.356	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])cc(OC)c1OC(F)F	78406279	CSXWQZHVMNUJAO-UHFFFAOYSA-N	277.179	1.991	5	40	CDBB	
CCOC(=O)c1c(N)ncc2cc([N+](=O)[O-])ccc12	12410661	RTPWEJKPYMSLFA-UHFFFAOYSA-N	261.237	1.902	5	40	CDBB	
C[C@H](c1ccc([N+](=O)[O-])cc1)n1cnc2c(=O)[nH]cnc21	18176169	LUDZGOUDXAWMQU-MRVPVSSYSA-N	285.263	1.637	5	40	CDBB	
CCC[C@@H](C)NC(=O)COc1ccc(C)nc1[N+](=O)[O-]	6608945	ZFJJDZMKVRTYDO-SECBINFHSA-N	281.312	1.982	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1-n1cccc1C(=O)O	67172772	PELANXYGRWFXIL-UHFFFAOYSA-N	290.231	1.870	5	40	CDBB	
O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ncccc1O	76083003	MPEXEUVICGDQFS-UHFFFAOYSA-N	273.248	1.877	5	40	CDBB	
C[C@@H]1C[C@H](N2Cc3ccc([N+](=O)[O-])cc3C2)C(=O)O1	72763434	VRLQQPIVXDEBRX-PELKAZGASA-N	262.265	1.614	5	40	CDBB	
O=C(O)c1c2ccc(Cl)cc2nc2nc(O)[nH]c(=O)c12	33849107	OKJFSIAJZXDJOX-UHFFFAOYSA-N	291.650	1.529	5	40	CDBB	
O=C(NCN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1	31629163	PKBMFGOPFSTESK-UHFFFAOYSA-N	280.284	1.006	5	40	CDBB	
CC1=CC[C@@H]2C(=O)N(CC[N+](C)(C)C)C(=O)[C@@H]2C1	5964456	YXVGUNYRDCAJEU-NWDGAFQWSA-N	251.350	1.034	5	40	CDBB	
CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(C)=O	19721290	BWHLPNOCAMQFBD-LBPRGKRZSA-N	280.280	1.205	5	40	CDBB	
Nc1nn2c(-c3ccccc3)ccnc2c1[N+](=O)[O-]	4127264	HSOWSKLMZYLPBA-UHFFFAOYSA-N	255.237	1.887	5	40	CDBB	
COCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	37408	UYWJKUXCVQQSMS-IKCIUXDWSA-N	256.366	1.585	5	40	CDBB	biogenic,in-vitro
Cc1ccc(NC(=O)N[C@H](C)CO)cc1[N+](=O)[O-]	40525426	AUCCGOSTEXKLQM-MRVPVSSYSA-N	253.258	1.406	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CC(=O)O	2565207	YUTXBJXNUVCBNP-UHFFFAOYSA-N	253.136	1.203	5	40	CDBB	
Cc1cc(CNc2cc([N+](=O)[O-])ccc2NCCO)no1	58338508	DYMAVTGAFDVLLR-UHFFFAOYSA-N	292.295	1.908	5	40	CDBB	
Cc1nn(C)c(N2CCOC(C)(C)C2)c1[N+](=O)[O-]	58413778	DMJLVGOCKSQYPP-UHFFFAOYSA-N	254.290	1.252	5	40	CDBB	
CCC1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1	97115373	BFZLUKHQAFZYME-UHFFFAOYSA-N	299.352	1.844	5	40	CDBB	
Cc1cc(I)ncc1[N+](=O)[O-]	85224211	BABJMGXGLXETLH-UHFFFAOYSA-N	264.022	1.903	5	40	CDBB	
Cc1ccc(=O)n(C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1	95432549	BNUGYCOFDDOXGI-GFCCVEGCSA-N	275.264	1.194	5	40	CDBB	
C[N@+]12CCCC[C@H]1[C@@H](CON1C(=O)CCC1=O)CCC2	254498733	QQJOVQVFUJPRNJ-IIYDPXPESA-N	281.376	1.476	5	40	CDBB	
O=C1c2ccncc2C(=O)N1c1ccc([N+](=O)[O-])cc1	4127032	PJINHSALNIXCTG-UHFFFAOYSA-N	269.216	1.790	5	40	CDBB	
C[N+]1(CCC[C@H](O)CC[N+]2(C)CCCC2)CCCC1	6519721	KYPKIUAWLHUJRH-INIZCTEOSA-N	270.461	1.998	5	40	CDBB	
Cc1c(CN(C)CCN2CCOCC2)cccc1[N+](=O)[O-]	71900809	VGRMLJNJSVHZRM-UHFFFAOYSA-N	293.367	1.667	5	40	CDBB	
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1C[C@H]2CC[C@H]1C2	109039739	XUYQBNQVKHVWSI-NOOOWODRSA-N	292.339	1.732	5	40	CDBB	
C[C@@H](CO)NCCNc1ccc([N+](=O)[O-])c2cccnc12	5043947	QBSBAFLTLGJTDU-JTQLQIEISA-N	290.323	1.525	5	40	CDBB	
CC(C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1	17172489	AWJFSRRPLIUVSR-UHFFFAOYSA-N	251.286	1.953	5	40	CDBB	
O=[N+]([O-])c1ccccc1N1CCC[C@@H]1CN1CCOCC1	160407846	VSNSTWSGSVUNDX-CYBMUJFWSA-N	291.351	1.896	5	40	CDBB	
CC1(C)OC(=O)C(Cc2ccc([N+](=O)[O-])cc2)C(=O)O1	84188	FZKSUOXPWYRNEF-UHFFFAOYSA-N	279.248	1.590	5	40	CDBB	
COc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1	16215931	BLYOMZFPRBCQQW-DAXSKMNVSA-N	289.247	1.563	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)NOCc1ccccc1	58417143	CLSPARWEBJJQAU-UHFFFAOYSA-N	290.279	1.348	5	40	CDBB	
O=[N+]([O-])c1c(NC[C@H]2CCOC2)nc2sccn12	37988185	ZMNUCXOTXWDOCZ-SSDOTTSWSA-N	268.298	1.752	5	40	CDBB	
O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC(O)=N2	6898689	GMVOZMBHJWQNBH-UHFFFAOYSA-N	260.209	1.296	5	40	CDBB	
O=C(NC[C@]1(O)CCSC1)c1ccccc1[N+](=O)[O-]	75092046	KXLSNFFAZFUBTA-GFCCVEGCSA-N	282.321	1.193	5	40	CDBB	
C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1	71978911	GIOHDUNRNKYHHW-MRVPVSSYSA-N	283.715	1.682	5	40	CDBB	
CCOC(=O)C(=O)Cc1ccc(F)cc1[N+](=O)[O-]	91297490	OGBNRURERWIWSA-UHFFFAOYSA-N	255.201	1.409	5	40	CDBB	
Cc1c(C(=O)O)c(O)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	57339505	IMPYDBVHKFKFIS-UHFFFAOYSA-N	256.170	1.524	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCCCCC1	10452618	YYTFTJSSTRXRAE-UHFFFAOYSA-N	293.323	1.596	5	40	CDBB	
O=C(O)[C@]1(Cc2ccc([N+](=O)[O-])cc2)CCCN1	4241065	LNRKMGJPHYUDQH-GFCCVEGCSA-N	250.254	1.344	5	40	CDBB	
COc1cccc(Oc2nc(N)ncc2[N+](=O)[O-])c1	5446376	VEDRVMWJCHYHNX-UHFFFAOYSA-N	262.225	1.768	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(F)F)nn1C[C@@H](C)C(=O)O	408715853	FTRNTYIVKAAJDM-SCSAIBSYSA-N	263.200	1.758	5	40	CDBB	
CCN(CCO)c1ccc(C(=O)O)cc1[N+](=O)[O-]	37853806	INXVKXCIWNHLTH-UHFFFAOYSA-N	254.242	1.112	5	40	CDBB	
COC[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCO1	78342707	UJKJKQSLFDKKLF-SNVBAGLBSA-N	270.260	1.586	5	40	CDBB	
O=[N+]([O-])c1ccc(-n2cc3cnnc(O)c3n2)cc1	96306019	DMEVOXSHUDQVHE-UHFFFAOYSA-N	257.209	1.429	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](OCCO)C1	80640886	DHXGDVSDEBVGBL-CYBMUJFWSA-N	280.324	1.881	5	40	CDBB	
O=[N+]([O-])c1ccccc1Cc1c(O)nc(O)nc1O	1314364	FBYORWIZWPXKOM-UHFFFAOYSA-N	263.209	1.092	5	40	CDBB	
Cc1[nH]nc(C(=O)NCc2ccccc2F)c1[N+](=O)[O-]	64334646	FMBIEWOMDNVHOV-UHFFFAOYSA-N	278.243	1.695	5	40	CDBB	
C[C@H](C(=O)N(C)C)N1CCc2ccc([N+](=O)[O-])cc2C1	89368697	VOPUVAKHFRJBSZ-SNVBAGLBSA-N	277.324	1.430	5	40	CDBB	
O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2O1	239339006	LOSCZVODBPQGOD-DDHJBXDOSA-N	286.243	1.038	5	40	CDBB	
Cc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])[nH]n1	48290527	CAPYOUBCBWOPRJ-UHFFFAOYSA-N	289.295	1.468	5	40	CDBB	
O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1Br	95830495	VNXKIYKPSUWDKP-UHFFFAOYSA-N	253.439	1.644	5	40	CDBB	in-vitro
CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	5021971	CBCIBNBNVKLWSC-JTQLQIEISA-N	266.253	1.434	5	40	CDBB	
CCOC(=O)Nc1cccc(C(=O)O)c1[N+](=O)[O-]	216759056	SVKQUBJCAOYBRJ-UHFFFAOYSA-N	254.198	1.861	5	40	CDBB	
O=[N+]([O-])c1cccc(OCCN2CCC(O)CC2)c1	46056626	KBWBWLWBYVGIAL-UHFFFAOYSA-N	266.297	1.430	5	40	CDBB	
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2ccccc2)CC1	47268046	CIWLATSKVYRUAW-CHWSQXEVSA-N	275.308	1.000	5	40	CDBB	
CC(=O)c1ccc(N(C)CC(=O)NC2CC2)c([N+](=O)[O-])c1	12522024	BUFPZBAYMKMQMG-UHFFFAOYSA-N	291.307	1.512	5	40	CDBB	
COc1ccc([C@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1OC	4017962	XNROXMLNSMHFFB-LLVKDONJSA-N	293.279	1.566	5	40	CDBB	
COc1c(C)cnc(Cn2cnc([N+](=O)[O-])c2)c1C	72290066	FIZIMPBAVAZWRR-UHFFFAOYSA-N	262.269	1.860	5	40	CDBB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC[N+](C)(C)C)C2=O	5963960	LVXBKXCSVKURTI-BLLLJJGKSA-N	281.420	1.894	5	40	CDBB	
O=C(O)c1cc(Br)c(C(=O)O)c([N+](=O)[O-])c1	2775622	QSGWZCBLWAKOJP-UHFFFAOYSA-N	290.025	1.754	5	40	CDBB	
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)CC1	89819063	MMBKPZLIMAEUCO-XQQFMLRXSA-N	281.356	1.129	5	40	CDBB	
CCc1nc2n(n1)[C@H](O)c1cc([N+](=O)[O-])ccc1S2	537459	RJKILNTWEYTIDN-SNVBAGLBSA-N	278.293	1.753	5	40	CDBB	
CN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1	2737722	BJNGOXOGKSSGKC-UHFFFAOYSA-N	260.253	1.605	5	40	CDBB	
O=C(O)Cc1ccc([N+](=O)[O-])c(Br)c1	91675752	GVRPKTFVUMNIFC-UHFFFAOYSA-N	260.043	1.984	5	40	CDBB	
O=C(CN1CCSCC1)Nc1ccccc1[N+](=O)[O-]	69808804	OPQJKDIRHGQUPQ-UHFFFAOYSA-N	281.337	1.582	5	40	CDBB	
COC[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	79013508	RCGSAKIFLXJSTE-CYBMUJFWSA-N	278.308	1.775	5	40	CDBB	
COc1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1	33396164	HLACZWQBYVTMFZ-DAXSKMNVSA-N	289.247	1.563	5	40	CDBB	
O=C(OCCn1cnc([N+](=O)[O-])n1)[C@H]1CC=CCC1	96452618	KVPJHEUQECDKPK-VIFPVBQESA-N	266.257	1.086	5	40	CDBB	
CCOC(=O)[C@@H]1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1	98072900	ZHAPKBCTYLNTEZ-QWRGUYRKSA-N	282.321	1.862	5	40	CDBB	
COC(=O)c1cccc2c1ncc1c(=O)nc(N)sc12	45928754	CNXSPBAVBMNTRS-UHFFFAOYSA-N	287.300	1.574	5	40	CDBB	
Cc1nccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	4370311	MBWOZYWOCPKZRK-UHFFFAOYSA-N	267.266	1.337	5	40	CDBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCNC(=O)C1	69621125	YRFPDSCFHPFMRZ-UHFFFAOYSA-N	293.323	1.314	5	40	CDBB	
C[N+]1(C)C[C@@]2([N+](=O)[O-])CC=C(Cl)[C@@]([N+](=O)[O-])(C2)C1	102813588	LDQBXSQPASPOJC-NXEZZACHSA-N	276.700	1.024	5	40	CDBB	
CCN(CC)C(=O)c1cc(OC)c(O)c([N+](=O)[O-])c1	12411559	QQNWEOUFKVFKEU-UHFFFAOYSA-N	268.269	1.791	5	40	CDBB	
COc1cc(OC)c2nnc3c([N+](=O)[O-])ncn3c2c1	1418844	YVWLXMFOIARWMQ-UHFFFAOYSA-N	275.224	1.203	5	40	CDBB	
C[S@@](=O)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1	78265692	WJIKJYISWGHHEW-IBGZPJMESA-N	294.279	1.987	5	40	CDBB	
NC(=O)C[C@@H](N)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	44252882	GYBUQOIMLLICHX-SNVBAGLBSA-N	275.264	1.730	5	40	CDBB	
O=C(O)[C@H]1Cc2nc[nH]c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1	11919893	MGZNHWUKOICZHV-GHMZBOCLSA-N	288.263	1.006	5	40	CDBB	
Cc1cc(C)n(CCCNc2[nH]ncc2[N+](=O)[O-])n1	6527872	PCWKDJZFFSJALS-UHFFFAOYSA-N	264.289	1.633	5	40	CDBB	
CN(C)C(=O)CN(C)c1ccc2ncccc2c1[N+](=O)[O-]	42109603	XRMMUXAUEHJRKG-UHFFFAOYSA-N	288.307	1.667	5	40	CDBB	
CN1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])o2)C1	3258731	FEXDCJWLPVHOLH-MRVPVSSYSA-N	254.242	1.439	5	40	CDBB	
CC(=O)c1ccc(N[C@H]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1	75109726	YCBXZLSWNZLGLN-QWRGUYRKSA-N	291.307	1.863	5	40	CDBB	
C[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96517987	UVTMCIJGPPJLAT-ZETCQYMHSA-N	257.267	1.211	5	40	CDBB	
Cn1ccnc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	54336	HGAZLROAXHVEMD-UHFFFAOYSA-N	267.266	1.161	5	40	CDBB	
CC(C)(C)Cn1c(=O)[nH]c(=O)c2cc([N+](=O)[O-])cnc21	339416	AFEWFYULTUBETR-UHFFFAOYSA-N	278.268	1.039	5	40	CDBB	
CN1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])o2)C1	3258735	FEXDCJWLPVHOLH-QMMMGPOBSA-N	254.242	1.439	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CCn1c([N+](=O)[O-])cnc1C	3626517	XAYHOPDRVJJVQM-UHFFFAOYSA-N	280.244	1.213	5	40	CDBB	
O=C(O)C1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)CC1	19512233	WCKBYTXXCRNHGQ-UHFFFAOYSA-N	263.209	1.162	5	40	CDBB	
C[C@@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1	75611312	SOIPLDKJVCNJAY-ZDUSSCGKSA-N	279.296	1.532	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCO)c1	95441494	ROKGYVQSOXOIGX-MRVPVSSYSA-N	268.269	1.104	5	40	CDBB	
Nc1c([N+](=O)[O-])c(=O)oc2ccc([N+](=O)[O-])cc12	5770022	JMEGWCRHIMFPBR-UHFFFAOYSA-N	251.154	1.192	5	40	CDBB	
Cc1ccnn1CCCNc1[nH]ncc1[N+](=O)[O-]	6790005	SPSAEVOHFAJLJM-UHFFFAOYSA-N	250.262	1.325	5	40	CDBB	
Cc1c(CN2C[C@@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-]	106655598	GNVYTMPRYUWXIM-MFKMUULPSA-N	291.351	1.989	5	40	CDBB	
CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12	97047200	FZUILHULLVDLOM-SECBINFHSA-N	289.291	1.644	5	40	CDBB	
O=[N+]([O-])c1cccc(COn2nnc3ccccc32)c1	9954871	ULYXHSYYDZQIQK-UHFFFAOYSA-N	270.248	1.968	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1CO	72665537	FVFOYVYFIKHAQJ-LBPRGKRZSA-N	293.323	1.298	5	40	CDBB	
Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccccn1	30583048	SFSYTAJBVIQZDP-UHFFFAOYSA-N	273.248	1.929	5	40	CDBB	
NS(=O)(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	575339249	FJNZEYXWEVIUPZ-UHFFFAOYSA-N	270.188	1.261	5	40	CDBB	
COC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	47916413	NALOYHMEXVZNCD-UHFFFAOYSA-N	278.308	1.980	5	40	CDBB	
O=[N+]([O-])c1cccc(CNC[C@@H]2CCCS2(=O)=O)c1	89780829	AMUWDBYHTCKSHD-LBPRGKRZSA-N	284.337	1.262	5	40	CDBB	
Cc1nn(Cc2c(C(=O)O)noc2C)c(C)c1[N+](=O)[O-]	12357827	VJGBACPZKYXDKB-UHFFFAOYSA-N	280.240	1.451	5	40	CDBB	
C/C=C/C(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	5464039	MPPAZGSRMHUHHX-ONEGZZNKSA-N	294.263	1.661	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccno1	10254045	SLCPHOPUTSUBHE-UHFFFAOYSA-N	263.209	1.844	5	40	CDBB	
O=[N+]([O-])c1ccc(Br)cc1P(=O)(O)O	1870310	PIUNHZVSUAVOCB-UHFFFAOYSA-N	281.986	1.160	5	40	CDBB	
COc1cc([N+](=O)[O-])cc2c(=O)c(C(=O)O)c[nH]c12	6024874	UTAHMBDEGBBTSA-UHFFFAOYSA-N	264.193	1.143	5	40	CDBB	
O=C(CCn1cnc([N+](=O)[O-])c1)Nc1cccc(F)c1	12736212	OLYAASOPOLPSPH-UHFFFAOYSA-N	278.243	1.959	5	40	CDBB	
C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(N)=O	12876318	RLJVVVYFENIQNI-QMMMGPOBSA-N	294.307	1.923	5	40	CDBB	
CCNC(=O)[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-]	8338486	HPGQQENHPSFRSU-LURJTMIESA-N	283.313	1.241	5	40	CDBB	
Cc1cc(C(=O)Nc2cnccn2)cc([N+](=O)[O-])c1	97379857	JXCYNDLXXZLHCB-UHFFFAOYSA-N	258.237	1.946	5	40	CDBB	
O=C1NC(=S)N/C1=C\c1cc([N+](=O)[O-])ccc1Cl	33347579	UNORHOFHDBZNTP-YWEYNIOJSA-N	283.696	1.593	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2ccc(N3CCNCC3)nn2)cc1	71976788	JXVCWVWVIFLGHZ-UHFFFAOYSA-N	285.307	1.461	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnsn1	43691433	LCOWQBNYHXVFBC-UHFFFAOYSA-N	250.239	1.699	5	40	CDBB	
CCCO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C1	67112053	RWYYMXCUPZFUMP-MXWKQRLJSA-N	256.302	1.069	5	40	CDBB	
COc1cc2c(c([N+](=O)[O-])c1[N+](=O)[O-])O[C@@H](C)C2	4425936	XXMVBFCCFBFSSJ-YFKPBYRVSA-N	254.198	1.835	5	40	CDBB	
Nc1nc(N2CCO[C@@H]3CCCC[C@H]32)ncc1[N+](=O)[O-]	230121978	RKCRJSPVHGRCFM-PSASIEDQSA-N	279.300	1.115	5	40	CDBB	
COc1ccc(-c2ccc([N+](=O)[O-])c(=O)[nH]2)cc1OC	95096540	VEBIRCJZFQDXPQ-UHFFFAOYSA-N	276.248	1.967	5	40	CDBB	
O=C(Cn1cccn1)Nc1cc(Cl)cc([N+](=O)[O-])c1O	97232640	QFAWJKKOJHRIBD-UHFFFAOYSA-N	296.670	1.789	5	40	CDBB	
O=C1C(=O)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	3151207	CIZYMVQGDHKKSP-UHFFFAOYSA-N	296.238	1.965	5	40	CDBB	
Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1C	197120	GUACIFDCHGGZEO-UHFFFAOYSA-N	275.268	1.442	5	40	CDBB	
CC[C@@H](C)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-]	23521716	KDRLNVYHCHUVSX-MRVPVSSYSA-N	280.280	1.783	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(N[C@@H](C)C(=O)O)c([N+](=O)[O-])c1	3884562	DVLHHRWRGJGLKJ-LURJTMIESA-N	269.213	1.696	5	40	CDBB	
O=C(NN1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl	6330172	AQTAWVQDCCNFDW-UHFFFAOYSA-N	285.687	1.225	5	40	CDBB	
C[C@@H](C(=O)NCCc1cccs1)n1cc([N+](=O)[O-])cn1	97048027	KJSNELGAOVSYFJ-VIFPVBQESA-N	294.336	1.773	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)C[S@](C)=O	97109023	CANAEKQBHZOZJR-CFMSYZGJSA-N	298.364	1.742	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2CCCN2C1=O	40545831	KFUDTHMFBWUCSF-SNVBAGLBSA-N	275.264	1.834	5	40	CDBB	
C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1	11298697	QBUFJRRWPMUWBG-SNVBAGLBSA-N	280.280	1.221	5	40	CDBB	
O=C(O)CSc1nc2sccn2c1[N+](=O)[O-]	2508406	QSZAKNCBDCGECQ-UHFFFAOYSA-N	259.268	1.481	5	40	CDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H](c2c[nH]c3ccccc23)N1	1767147	DXLCPMHCXGLSGL-AAEUAGOBSA-N	259.265	1.764	5	40	CDBB	
CC1(C)Oc2ccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])cc2O1	46098263	PWXURLKCEVTTAI-DTWKUNHWSA-N	278.264	1.798	5	40	CDBB	
O=[N+]([O-])c1c(N2CCC(CO)CC2)nc2ccccn12	52243605	YETNNGCBPOMQPT-UHFFFAOYSA-N	276.296	1.451	5	40	CDBB	
CCNC(=O)NC(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-]	12930434	DSTPNLPQQJOWKR-VIFPVBQESA-N	295.295	1.516	5	40	CDBB	
CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	20677867	QXOKJBSSFVWQMR-LBPRGKRZSA-N	284.337	1.214	5	40	CDBB	
CS(=O)(=O)c1cc[nH]c1-c1ccc([N+](=O)[O-])cc1	96532673	JVCKXVMVNNXQKM-UHFFFAOYSA-N	266.278	1.993	5	40	CDBB	
Cn1cnnc1NC(=O)CCc1cccc([N+](=O)[O-])c1	97379036	VNYCGZYLZAPUKD-UHFFFAOYSA-N	275.268	1.295	5	40	CDBB	
COC(=O)CSCn1nc(C)c([N+](=O)[O-])c1C	95098499	VYYCAUACGZQKDQ-UHFFFAOYSA-N	259.287	1.272	5	40	CDBB	
CC(C)C[C@H](O)CNC(=O)Cc1cccc([N+](=O)[O-])c1	96475391	OQKWSSCEFJNRQT-ZDUSSCGKSA-N	280.324	1.661	5	40	CDBB	
O=C(O)/C=C\C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	34776408	AWQHGXIAQPHHKH-ARJAWSKDSA-N	254.173	1.313	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H]2CO2)cc1[C@@H]1CO1	4265917	VRCHONYMQBZRLX-UWVGGRQHSA-N	252.182	1.646	5	40	CDBB	
Cc1ccc(C(=O)O[C@H]2C[C@H](C)OC2=O)cc1[N+](=O)[O-]	32736474	KNSQMUZAFRETFC-KWQFWETISA-N	279.248	1.764	5	40	CDBB	
CC[C@@H](CO)Nc1ccc(C(C)=O)cc1[N+](=O)[O-]	28498982	VPPPUDFRCBPGKB-JTQLQIEISA-N	252.270	1.980	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCCC[C@H]1C	7344465	OIBVFTPADWMEQY-MWLCHTKSSA-N	280.328	1.795	5	40	CDBB	
CC(C)Cc1nnc([C@H](C)n2cc([N+](=O)[O-])cn2)o1	97047998	IELVBZYEIKWMKT-QMMMGPOBSA-N	265.273	1.982	5	40	CDBB	
CO[C@@]1(C)C[C@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C	73275248	CZNFCTKYXJQOQN-SDBXPKJASA-N	296.327	1.560	5	40	CDBB	
CC1CCN(c2nc(Cl)nc(N)c2[N+](=O)[O-])CC1	5163656	YQZJNSYIWJYUHM-UHFFFAOYSA-N	271.708	1.857	5	40	CDBB	
O=C(CCCn1cc([N+](=O)[O-])cn1)NCc1cccnc1	4710484	QDHUKEPNHHHKTO-UHFFFAOYSA-N	289.295	1.283	5	40	CDBB	
O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H](CO)C1	40452966	PUSUNYIHGDTCBG-SECBINFHSA-N	254.261	1.943	5	40	CDBB	
CN(C)/C=C1/CCN(c2ccc([N+](=O)[O-])cc2)C1=O	29763904	DMEHJAKXNVOKBN-KTKRTIGZSA-N	261.281	1.777	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C2CC2)C1	57658662	IVQYEKDYJCDSIT-SECBINFHSA-N	289.291	1.544	5	40	CDBB	
CN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	95433464	HUHQYFAOYAOMRX-UHFFFAOYSA-N	285.731	1.469	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)COCc1ccccc1	95438654	TUZGUDJWHTUJTE-CYBMUJFWSA-N	291.307	1.677	5	40	CDBB	
C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1	71978912	GIOHDUNRNKYHHW-QMMMGPOBSA-N	283.715	1.682	5	40	CDBB	
CN(CCn1cccn1)C(=O)c1ccc([N+](=O)[O-])cc1O	97373294	WYIDBNSNEVFRHZ-UHFFFAOYSA-N	290.279	1.269	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCC1(O)CCSCC1	96413747	PWWKBALWLKSMCO-UHFFFAOYSA-N	269.326	1.660	5	40	CDBB	
Cc1ccc2[nH]c(=O)c3c(=O)cc(C(=O)O)oc3c2c1	34778404	KAEMHPZXIMSDTQ-UHFFFAOYSA-N	271.228	1.641	5	40	CDBB	
Cc1cc(=O)n2c3c(c4c(cc13)c(CO)cc(=O)n4C)OC2	1612370	HKMUGCUFXWTNSP-UHFFFAOYSA-N	298.298	1.004	5	40	CDBB	biogenic
O=C(O)/C=C/c1cc2[nH]c(=O)ccc2cc1[N+](=O)[O-]	3845233	BWHNFESRPPVREE-DUXPYHPUSA-N	260.205	1.534	5	40	CDBB	
CCOc1ccc(C(=O)COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	32933343	RHMGFXKVVWOSIG-VXGBXAGGSA-N	293.275	1.476	5	40	CDBB	
O=C(COC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1	520113	JXZVNENWRPQYLH-UHFFFAOYSA-N	287.231	1.425	5	40	CDBB	
CNc1ccc(C(=O)Nc2ncccc2O)cc1[N+](=O)[O-]	22262618	SMYLTMIHKIWIGZ-UHFFFAOYSA-N	288.263	1.989	5	40	CDBB	
O=C(O)[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-]	12021481	IVIIFDNIJAIELF-LLVKDONJSA-N	278.264	1.674	5	40	CDBB	
Cc1nn(CCC(=O)N2CCCC2)c(C)c1[N+](=O)[O-]	2778294	SFYMKHWNCPTIPB-UHFFFAOYSA-N	266.301	1.421	5	40	CDBB	
O=[N+]([O-])c1cc(Cl)c(N2CCOCC2)c([N+](=O)[O-])c1	4663264	IXPVXMWFMDHPSE-UHFFFAOYSA-N	287.659	1.993	5	40	CDBB	
CNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1	71894538	FABJTAPXSINXHL-VIFPVBQESA-N	281.287	1.696	5	40	CDBB	
C[N@+]12CCCC[C@H]1[C@H](N1C(=O)CCCC1=O)CCC2	247644239	JBUTUZWQGOBNHH-IIYDPXPESA-N	265.377	1.687	5	40	CDBB	biogenic,in-vitro
Cc1ccn(Cc2nnsc2Cl)c(=O)c1[N+](=O)[O-]	96472066	MNBXNJMBSMKHMT-UHFFFAOYSA-N	286.700	1.618	5	40	CDBB	
Nc1nc(Nc2ccccc2)nc(NCCO)c1[N+](=O)[O-]	5025543	DFKMMUZJZBHBPW-UHFFFAOYSA-N	290.283	1.115	5	40	CDBB	
CCOC(=O)[C@@H](C(C)=O)c1ccc(F)cc1[N+](=O)[O-]	16697933	WHFHDPRMSQTXTM-NSHDSACASA-N	269.228	1.970	5	40	CDBB	
CC1=C(C(=O)O)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	6664572	JRAMDMCEIDFGMQ-SNVBAGLBSA-N	277.236	1.307	5	40	CDBB	
CN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])s1	25046352	NMXLBANMAJFDBG-UHFFFAOYSA-N	280.309	1.662	5	40	CDBB	
Cc1ccc(CNc2ncnc(N)c2[N+](=O)[O-])cc1	3912519	SGGADVFWKTYYAK-UHFFFAOYSA-N	259.269	1.888	5	40	CDBB	
O=C(NCCO)c1ccc2nc3ccccc3nc2c1	33655353	YSUUNIMZGRPDBY-UHFFFAOYSA-N	267.288	1.505	5	40	CDBB	
O=[N+]([O-])c1ccccc1C(=S)N1CCOCC1	196336652	MVFXKMQLWSTJJO-UHFFFAOYSA-N	252.295	1.603	5	40	CDBB	
Cc1c(NC(=O)N(C)C[C@@H](C)C(N)=O)cccc1[N+](=O)[O-]	58342335	ZGYXTZXKEMAAAM-MRVPVSSYSA-N	294.311	1.488	5	40	CDBB	
O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	169685309	LOSCZVODBPQGOD-WYUUTHIRSA-N	286.243	1.038	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)C[C@H](C)O1	167771747	CVEAXXBKEOXWHB-YUMQZZPRSA-N	252.274	1.186	5	40	CDBB	
C[N+](C)(N)Cc1nc(-c2ccc(Cl)cc2)no1	1569257	UXHRDPXHFABYTE-UHFFFAOYSA-N	253.713	1.840	5	40	CDBB	in-vitro
O=c1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2nc2n1CCC2	2124501	PIYIRGGWVHVHDV-UHFFFAOYSA-N	276.208	1.159	5	40	CDBB	biogenic
O=C(C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	15382187	BRQOQOJUSJVEJV-UHFFFAOYSA-N	275.308	1.653	5	40	CDBB	
Cc1c(F)cc(C(=O)Nc2c[nH]ccc2=O)cc1[N+](=O)[O-]	95356900	QNQVJRRPBSUMGG-UHFFFAOYSA-N	291.238	1.983	5	40	CDBB	
CN(C(=O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1	95436554	CKZOEDNOTKTTST-NSHDSACASA-N	250.254	1.737	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2nc(C3CCNCC3)n[nH]2)c1	64875540	SSLGEXXKWUYAKL-UHFFFAOYSA-N	273.296	1.847	5	40	CDBB	
COCCN(CCOC)c1ccc([N+](=O)[O-])cn1	31666853	BNALRGCGTXDHLO-UHFFFAOYSA-N	255.274	1.089	5	40	CDBB	
Cc1c(O)c([N+](=O)[O-])nc(Br)c1F	220298665	WAFCBIOKPNXSKB-UHFFFAOYSA-N	251.011	1.905	5	40	CDBB	
CCc1c(O)nc(-c2ccc([N+](=O)[O-])o2)oc1=O	16161170	KWXLVKRYONRPRM-UHFFFAOYSA-N	252.182	1.471	5	40	CDBB	
O=c1[nH]c(/C=C/c2cccs2)nc(O)c1[N+](=O)[O-]	9234990	MUHSXQZNUWGLEJ-ONEGZZNKSA-N	265.250	1.616	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCC2)n1	2761406	YYNPYCSBBYZLCB-UHFFFAOYSA-N	252.274	1.437	5	40	CDBB	
C[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1	22358330	RINBQNANAFOJQD-QWRGUYRKSA-N	293.323	1.643	5	40	CDBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](O)CO	82049777	XDHQHBSDKYPJRG-SSDOTTSWSA-N	280.202	1.379	5	40	CDBB	in-vitro
CC(=O)N[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	6778310	FQZFBWSUDUFYKH-LURJTMIESA-N	269.232	1.197	5	40	CDBB	
O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[C@H]1CCOC1	95974592	DEWVHKYWRSHQGX-SECBINFHSA-N	291.263	1.448	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(F)F)nn1CCCC(=O)O	408716755	QOUBIMBGODSHQH-UHFFFAOYSA-N	263.200	1.902	5	40	CDBB	
NS(=O)(=O)c1c(Cl)cc([N+](=O)[O-])cc1Cl	36666955	BZHHMIVXRRHQOA-UHFFFAOYSA-N	271.081	1.549	5	40	CDBB	
CC1=NN(c2ccccc2)C(=O)[C@]12[C@H](C)[C@@H]2[N+](=O)[O-]	221836229	SIWDEOAYYTUWNB-YDEJPDAXSA-N	259.265	1.691	5	40	CDBB	
O=[N+]([O-])c1ncn(C[C@@H](O)c2cccc(Cl)c2)n1	95438934	CQODIAOGNHUOQE-SECBINFHSA-N	268.660	1.573	5	40	CDBB	
COc1ccc(CSCC(=O)O)cc1[N+](=O)[O-]	12946184	YKRCQUVMNDWKPL-UHFFFAOYSA-N	257.267	1.921	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1C(=O)NC1CCCCC1	16363347	ZHPWVZPIJOMAAL-UHFFFAOYSA-N	252.274	1.990	5	40	CDBB	
O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	169685308	LOSCZVODBPQGOD-KKOKHZNYSA-N	286.243	1.038	5	40	CDBB	
CC(C)CNC(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	10326842	SETHPCLCSMCQRY-UHFFFAOYSA-N	283.259	1.445	5	40	CDBB	
Cc1c([N+](=O)[O-])cc[n+]([O-])c1I	3847027	JMCHMTVBACMZHE-UHFFFAOYSA-N	280.021	1.141	5	40	CDBB	
COc1nc(OC)nc(Oc2cccc([N+](=O)[O-])c2)n1	376993	LDDGBOMNZMQEKT-UHFFFAOYSA-N	278.224	1.589	5	40	CDBB	
O=c1c2cc([N+](=O)[O-])ccc2ncn1CCc1ccccn1	8710374	UGHAMJDMLXMIIO-UHFFFAOYSA-N	296.286	1.942	5	40	CDBB	
CONC(=O)Cn1c2ccccc2c(=O)c2ccccc21	12790712	CREYERDSJZYWPJ-UHFFFAOYSA-N	282.299	1.832	5	40	CDBB	
O=C1NC(C(=O)O)=C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	5517540	ZFRQKLZGJTVTNN-ZETCQYMHSA-N	297.654	1.571	5	40	CDBB	
CCc1nc(CN(C)C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cs1	67770820	KORPEVUPHIELHL-BDAKNGLRSA-N	269.326	1.329	5	40	CDBB	
Cc1noc(C)c1CNC(=O)Nc1ccncc1[N+](=O)[O-]	96004890	HBEPCQRPINEDEC-UHFFFAOYSA-N	291.267	1.916	5	40	CDBB	
CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1O	95445026	YFWLORGSAOXBBK-APPZFPTMSA-N	270.310	1.499	5	40	CDBB	
Cc1ccccc1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	95412977	ACBWOCAJFVDKSE-UHFFFAOYSA-N	272.260	1.948	5	40	CDBB	
COC(=O)/C(=C\N1CCOCC1)c1ccccc1[N+](=O)[O-]	100901829	KDPHGDGCCQABKO-BENRWUELSA-N	292.291	1.441	5	40	CDBB	
CCCNC(=O)c1nc(C)n(-c2ccc([N+](=O)[O-])cc2)n1	3116960	ZROVYSQYRGKORG-UHFFFAOYSA-N	289.295	1.624	5	40	CDBB	
CCOC(=O)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C	56073957	FQLCOHFAZFRGSD-UHFFFAOYSA-N	295.295	1.978	5	40	CDBB	
O=[N+]([O-])c1c(N2CCC(O)CC2)nc2ccccn12	12627826	HBLDPQZZEOCQFW-UHFFFAOYSA-N	262.269	1.204	5	40	CDBB	
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@]1(O)C(F)(F)F	4693866	YZRUAOYVUOZCDK-MRVPVSSYSA-N	278.142	1.177	5	40	CDBB	
Cc1c(NCC(=O)NC(C)C)cccc1[N+](=O)[O-]	9368350	UPPUWXIHDNOFEF-UHFFFAOYSA-N	251.286	1.840	5	40	CDBB	
COCC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1	79056823	AZRFNHXNVRLOAB-UHFFFAOYSA-N	261.237	1.728	5	40	CDBB	
CSC[C@H](CCO)Nc1nccc(C)c1[N+](=O)[O-]	77236871	CERBIVBZJIJHCQ-VIFPVBQESA-N	271.342	1.824	5	40	CDBB	
CC(C)(C)OC(=O)N1CCC([C@H](O)C[N+](=O)[O-])CC1	75629645	UVHHOQRLAPSWNR-SNVBAGLBSA-N	274.317	1.271	5	40	CDBB	
COc1c(/C=C2/SC(=O)NC2=O)cccc1[N+](=O)[O-]	214293260	SCNYNZSSHSWJEE-VMPITWQZSA-N	280.261	1.927	5	40	CDBB	
O=[N+]([O-])c1ccc(NCC2(CCO)CCOCC2)nc1	74771664	VPVDWJQPNVMCKP-UHFFFAOYSA-N	281.312	1.581	5	40	CDBB	
Cc1nn(CC(=O)OC[Si](C)(C)C)c(C)c1[N+](=O)[O-]	195530502	ZISKWRODESIAFE-UHFFFAOYSA-N	285.376	1.829	5	40	CDBB	
Cc1cnc(NCC2(CS(C)(=O)=O)CC2)c([N+](=O)[O-])c1	96449469	PYIQTOOKZYNLOT-UHFFFAOYSA-N	299.352	1.535	5	40	CDBB	
NCCn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	408716598	OQBYTTXBNAONPX-UHFFFAOYSA-N	268.195	1.081	5	40	CDBB	
Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cs1	97097017	QDVVODPNJCDNKH-UHFFFAOYSA-N	293.304	1.995	5	40	CDBB	
CCc1[nH]nc(C(=O)N[C@H](C)c2ccncc2)c1[N+](=O)[O-]	95451121	PAVXZNVBPAPIEN-MRVPVSSYSA-N	289.295	1.766	5	40	CDBB	
CN1CCN(c2nc3cc4ccccc4cc3c(=O)[nH]2)CC1	4962668	BPQZLNHAQODGAW-UHFFFAOYSA-N	294.358	1.828	5	40	CDBB	
Cn1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1	22475705	NSTSCRICPAXMGX-UHFFFAOYSA-N	260.253	1.510	5	40	CDBB	
Cc1ccc(C(=O)NCC(=O)NC(C)C)cc1[N+](=O)[O-]	10090760	RCEQAKMUBFKRNS-UHFFFAOYSA-N	279.296	1.158	5	40	CDBB	
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCc2ccccc21	12775565	VIUZLYOJMHGUDL-UHFFFAOYSA-N	285.259	1.486	5	40	CDBB	
Cc1nc(N2CCOCC2)nc(Cl)c1[N+](=O)[O-]	4855033	QHZOJZYSYLLYPP-UHFFFAOYSA-N	258.665	1.183	5	40	CDBB	
CN1CCN(CCCSc2ncccc2[N+](=O)[O-])CC1	97098638	SVNKXSAQBNVHDX-UHFFFAOYSA-N	296.396	1.719	5	40	CDBB	
CN(CCC1CC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	97115389	NQSXXWBGSINCFK-UHFFFAOYSA-N	299.352	1.479	5	40	CDBB	
CC(C)(CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1F	97375673	HPIXLRLWBHOEJI-UHFFFAOYSA-N	271.248	1.626	5	40	CDBB	
CCS(=O)(=O)C[C@H](O)c1cccc([N+](=O)[O-])c1	96510039	BNMYPBZTSVBELB-JTQLQIEISA-N	259.283	1.063	5	40	CDBB	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	245344147	XVIXDFZUPCBFAR-JTNHKYCSSA-N	289.335	1.913	5	40	CDBB	
C[C@@H]([N+](=O)[O-])[C@]1(O)C(=O)c2cccc3cccc1c23	1723086	MVCYOXRLSBOWQE-XLKFXECMSA-N	257.245	1.889	5	40	CDBB	
C[C@@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1[N+](=O)[O-]	2764741	LLBLXMZRQHNNRZ-SECBINFHSA-N	286.291	1.920	5	40	CDBB	
O=C(c1ccccc1[N+](=O)[O-])n1cc([N+](=O)[O-])cn1	2744440	NUXKFTQZBYKGPY-UHFFFAOYSA-N	262.181	1.388	5	40	CDBB	
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnccn1	48303759	OFBLJJDHLCHTLH-UHFFFAOYSA-N	272.264	1.657	5	40	CDBB	
Nc1ccc(I)c(F)c1[N+](=O)[O-]	98211018	JJYHZRJLMANJMQ-UHFFFAOYSA-N	282.012	1.921	5	40	CDBB	
CN(C)c1c([N+](=O)[O-])cc2[nH]cnc2c1[N+](=O)[O-]	5115344	CRCPWCFFFGGIRM-UHFFFAOYSA-N	251.202	1.445	5	40	CDBB	
CCOC(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	5125349	SLZGNLCNDUCQFA-UHFFFAOYSA-N	274.254	1.030	5	40	CDBB	
CCOC(=O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	12647841	NUJJHSPYMWDZSJ-UHFFFAOYSA-N	264.193	1.347	5	40	CDBB	
Cc1ccc(CN2C[C@@H]3CN(C)C[C@@H]3C2)cc1[N+](=O)[O-]	63527661	SYQSMGURBYNROC-OKILXGFUSA-N	275.352	1.897	5	40	CDBB	
CCCNC(=O)COC(=O)c1cccc([N+](=O)[O-])c1	3505424	ANCYGPXYIOGNMK-UHFFFAOYSA-N	266.253	1.278	5	40	CDBB	
O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCCC1	28004453	PGOVLMOOJXPSMA-UHFFFAOYSA-N	291.263	1.125	5	40	CDBB	
CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnn[nH]1	95287808	LCBICZIJFVXJMP-SNVBAGLBSA-N	290.283	1.379	5	40	CDBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CC=CCC1	95466086	DOSFBBDKTZEWBB-UHFFFAOYSA-N	262.265	1.762	5	40	CDBB	
COC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1	76063664	KOBLJWVDCCKSTH-JTQLQIEISA-N	265.269	1.847	5	40	CDBB	
Cc1c(CC(=O)N2CC[C@@H](CO)C2)cccc1[N+](=O)[O-]	195546444	ZTRJSHSRGHEUCD-LLVKDONJSA-N	278.308	1.287	5	40	CDBB	
COCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	5511680	ZRAMSCCHRUHLLU-UHFFFAOYSA-N	283.240	1.269	5	40	CDBB	
COc1c2c(cc3c1[C@H](C[C@@H](C)O)[N+](C)(C)CC3)OCO2	485788	JDHJUNPYLKPCMG-PWSUYJOCSA-N	294.371	1.868	5	40	CDBB	biogenic
C[N+]1(CC[N+]2(C)C[C@H]3CCCC[C@@H]3C2)CCOCC1	1673468	GOEILDQCJFKQRD-HZPDHXFCSA-N	268.445	1.730	5	40	CDBB	
NC(=O)c1cc(I)cc([N+](=O)[O-])c1	4014512	XSTJCWCZYHCQDR-UHFFFAOYSA-N	292.032	1.298	5	40	CDBB	
CC(C)c1csc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	47248928	JOBAVFNAJHHINP-HTRCEHHLSA-N	255.299	1.870	5	40	CDBB	
COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCCC2)n1	5163770	UCJRTMBPOWJBIT-UHFFFAOYSA-N	296.331	1.016	5	40	CDBB	
Cn1cnnc1CCNc1nc2ccccn2c1[N+](=O)[O-]	71905784	SIJGMCQGIJKFGB-UHFFFAOYSA-N	287.283	1.026	5	40	CDBB	
COCCNC(=S)Nc1cccc([N+](=O)[O-])c1C	13785765	VYCNNWYQNVVHET-UHFFFAOYSA-N	269.326	1.836	5	40	CDBB	
Nc1nnc(Sc2ccc(C=O)cc2[N+](=O)[O-])s1	16384706	VAOKGIQFWHZKGS-UHFFFAOYSA-N	282.306	1.992	5	40	CDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2c[nH]c3ccccc23)N1	1767149	DXLCPMHCXGLSGL-WCQYABFASA-N	259.265	1.764	5	40	CDBB	
CCOC(=O)c1cc2c(=O)oc3ccccc3c2n(C)c1=O	3850688	YHUABBCAWRPAJZ-UHFFFAOYSA-N	299.282	1.822	5	40	CDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)/N=c2\[nH]ccs2)c1	3877672	UUOHQDRTUQYINZ-UHFFFAOYSA-N	285.306	1.274	5	40	CDBB	
CCN(CC)C(=O)Cn1cc([N+](=O)[O-])cc1[N+](=O)[O-]	4720904	FZLUAEDDEDLRIB-UHFFFAOYSA-N	270.245	1.173	5	40	CDBB	
CN(C)C(=O)c1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-]	6605593	JKWVUNPJXLHTTN-UHFFFAOYSA-N	257.177	1.344	5	40	CDBB	
CC(=O)Nc1cccc(Nc2ncnc(N)c2[N+](=O)[O-])c1	41154193	BIMGCOJVDGDETC-UHFFFAOYSA-N	288.267	1.669	5	40	CDBB	
COc1cc(C(=O)N(C)C)c([N+](=O)[O-])cc1OC(F)F	53883826	ZMLDWHBISNOIQV-UHFFFAOYSA-N	290.222	1.907	5	40	CDBB	
O=C1CCCC(=O)C1[C@H](C[N+](=O)[O-])c1ccccc1	104142179	FAMJGDKYMLYMQR-LLVKDONJSA-N	261.277	1.985	5	40	CDBB	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC1CCCCCC1	58369772	OMOLNZSZMTZAOJ-UHFFFAOYSA-N	293.323	1.596	5	40	CDBB	
Cc1nonc1OCCCNc1ccc([N+](=O)[O-])c(N)c1	4321111	JRTLZQPGUUQTSW-UHFFFAOYSA-N	293.283	1.749	5	40	CDBB	
C[S@](=O)c1nncn1CCOc1ccccc1[N+](=O)[O-]	71804164	OSVJEFCKEQCNFV-HXUWFJFHSA-N	296.308	1.003	5	40	CDBB	
COC(=O)c1occc1Cn1c([N+](=O)[O-])cnc1C	96430150	NGLZZAQGSZRBSU-UHFFFAOYSA-N	265.225	1.528	5	40	CDBB	
CN(C)C(=O)c1cccc(Cn2cnc([N+](=O)[O-])c2)c1	69566383	HXAKROHHYMJINI-UHFFFAOYSA-N	274.280	1.541	5	40	CDBB	
O=C(O)CCc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1	1761765	NZNKSEVNZBZPCJ-UHFFFAOYSA-N	256.170	1.226	5	40	CDBB	
NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	4859555	HJNDIFMIMMBYQV-UHFFFAOYSA-N	294.267	1.205	5	40	CDBB	
COc1nc(-c2ccc([N+](=O)[O-])o2)oc(=O)c1C	497372	QYOMYPFXTCEQAT-UHFFFAOYSA-N	252.182	1.520	5	40	CDBB	
COc1cc(N(C)C[C@@H](C)O)c([N+](=O)[O-])cc1F	225505240	PIBSCVKNGQPSNE-SSDOTTSWSA-N	258.249	1.560	5	40	CDBB	
CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	36391219	HBBNRCWDVIUEKX-UHFFFAOYSA-N	252.274	1.050	5	40	CDBB	
CCNC(=N)c1cc(C(=N)NCC)cc([N+](=O)[O-])c1	4015696	BLATZYCPSJELCY-UHFFFAOYSA-N	263.301	1.465	5	40	CDBB	
CC(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	67384890	YQNFRJBAPAZSTN-LLVKDONJSA-N	278.312	1.342	5	40	CDBB	
C[C@H](CO)N1CCN(c2ccccc2[N+](=O)[O-])CC1	72272284	BNNLRQDDNHCAAN-LLVKDONJSA-N	265.313	1.098	5	40	CDBB	
CCC[C@@H]1C[C@H]1Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O	96501101	OVAZUXVABJGVNK-PSASIEDQSA-N	299.352	1.843	5	40	CDBB	
CCOC(=O)CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	67799511	GJGNMOBQSGYJIL-UHFFFAOYSA-N	282.208	1.639	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1-n1nc(C(=O)O)cc1O	217699940	BWIKOVUTQRYPHK-UHFFFAOYSA-N	263.209	1.493	5	40	CDBB	
CS(=O)(=O)c1ccc(N2CCCC2)cc1[N+](=O)[O-]	72233553	GQOOLSKYEQZOMB-UHFFFAOYSA-N	270.310	1.599	5	40	CDBB	
CCS(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C	97098370	GUJSQOFSPZPBOI-UHFFFAOYSA-N	258.299	1.973	5	40	CDBB	
C[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	84697701	VJONTBFZEMLZNJ-QMMMGPOBSA-N	251.290	1.593	5	40	CDBB	
COC(=O)/C(=C\N(C)C)c1ccc([N+](=O)[O-])cc1	78502920	HKCVPAOHRYMRRH-FLIBITNWSA-N	250.254	1.670	5	40	CDBB	
CCOC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	45953442	CVXBHWUIGLHUAK-SECBINFHSA-N	278.264	1.511	5	40	CDBB	
O=C(NC1CC1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	20625085	TVDRRNPJXMSIQN-JTQLQIEISA-N	290.323	1.485	5	40	CDBB	
CC[C@H](C)NC[C@H](O)COc1ccc([N+](=O)[O-])cc1	2679914	SMKPDKOHESNKGI-JQWIXIFHSA-N	268.313	1.723	5	40	CDBB	
O=C(OCCO)c1cc([N+](=O)[O-])ccc1N1CCCC1	21713130	FSPKXJCBJFTLIX-UHFFFAOYSA-N	280.280	1.344	5	40	CDBB	
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(O)CC1	23993315	NXYOSWIJHCBKKB-JTQLQIEISA-N	293.323	1.379	5	40	CDBB	
O=C(C[C@@H]1SCCNC1=O)Nc1cccc([N+](=O)[O-])c1	2197499	SIIKZFCZCDHLJG-JTQLQIEISA-N	295.320	1.155	5	40	CDBB	
Cc1c(CO)cc([N+](=O)[O-])c(NC2CC2)c1[N+](=O)[O-]	48391373	OXIATZCULPKIFQ-UHFFFAOYSA-N	267.241	1.878	5	40	CDBB	
C[C@@H](CO)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	95436620	VMQFFSDPJZLCTL-VIFPVBQESA-N	293.323	1.622	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1	29218679	YEWNCBNFPSRCKN-UHFFFAOYSA-N	279.296	1.133	5	40	CDBB	
C[N+]1(C[Si](C)(C)c2ccccc2)CCOCC1	195793367	MFJOHIJNGNFKFI-UHFFFAOYSA-N	250.438	1.618	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1-c1nc([C@H](C)N)n[nH]1	95534680	FGGCCKWJXROVIA-LURJTMIESA-N	263.257	1.408	5	40	CDBB	
NC(=O)c1ccc(Sc2nnc(N)s2)c([N+](=O)[O-])c1	16384442	ZKVWWIOUYARXAG-UHFFFAOYSA-N	297.321	1.279	5	40	CDBB	
CN1CCN(c2ccc(C(=O)N(C)C)cc2[N+](=O)[O-])CC1	8726282	QSKHXDXFALLOPS-UHFFFAOYSA-N	292.339	1.048	5	40	CDBB	
C[C@@H]1C[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])C(=O)O1	46599835	UPWKDCUGEZYRNP-BXKDBHETSA-N	264.281	1.731	5	40	CDBB	
O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)N1CCNC1=O	12768377	ZUSJCFFPBGNFEI-UHFFFAOYSA-N	298.686	1.212	5	40	CDBB	
O=[N+]([O-])c1cc(CN2CCCS(=O)(=O)CC2)cs1	71893650	UNWRZCSNEKNDNQ-UHFFFAOYSA-N	290.366	1.277	5	40	CDBB	
C[C@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)O	38881906	FBXGPDYBCJGWQM-ZETCQYMHSA-N	268.225	1.294	5	40	CDBB	
CN1CCO[C@H](COc2cccc([N+](=O)[O-])c2)C1	217502069	SIUDHGMVYVCUOC-LBPRGKRZSA-N	252.270	1.304	5	40	CDBB	
CCS(=O)(=O)[C@@H](C)C(=O)c1ccc([N+](=O)[O-])cc1	96518005	SGROGUYDQGTERP-QMMMGPOBSA-N	271.294	1.601	5	40	CDBB	
CC[C@@H]([C@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	96519544	QTVSBUJGYPGQBI-NWDGAFQWSA-N	287.337	1.842	5	40	CDBB	
CN(C)CC(C)(C)CNc1ccncc1[N+](=O)[O-]	20370241	DZKVZLCXXVOCEN-UHFFFAOYSA-N	252.318	1.990	5	40	CDBB	
Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])o1	24997864	HMNZQDLSVFSDTP-SECBINFHSA-N	290.279	1.729	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(N2CCCC2)c([N+](=O)[O-])c1	4018204	YHRDIKPYHUUREV-UHFFFAOYSA-N	295.251	1.890	5	40	CDBB	
C[C@@H]1CCCCN1c1ccc(-n2cnnn2)cc1[N+](=O)[O-]	408975985	DHRKLIIKXNYSGO-SNVBAGLBSA-N	288.311	1.949	5	40	CDBB	
O=C1C[C@@H]([C@H]2CCCCN2c2ncccc2[N+](=O)[O-])CN1	95449518	XEHTUGNHZUCQHA-GHMZBOCLSA-N	290.323	1.485	5	40	CDBB	
CCNC(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1	9951211	DIWDZKYYSPEHGB-UHFFFAOYSA-N	257.677	1.796	5	40	CDBB	
COC(=O)[C@]1(CC[N+](=O)[O-])N=C(c2ccccc2)O[C@@H]1C	5766257	DPLIQOVGJKEOPV-QMTHXVAHSA-N	292.291	1.431	5	40	CDBB	
CC(C)[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)O	19435343	WXRZQTPLVYCUAM-OQHXTRMZSA-N	292.291	1.833	5	40	CDBB	
O=C(O)/C=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1	5394770	OEJGXBPLQVDBTF-RJRFIUFISA-N	278.264	1.529	5	40	CDBB	
C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])c1	12648136	FRISGXUENRMEMQ-NXEZZACHSA-N	266.301	1.486	5	40	CDBB	
Cc1nnc(CNc2ccc([N+](=O)[O-])cn2)n1C1CC1	97234981	JOEUCLLTVXHYKG-UHFFFAOYSA-N	274.284	1.837	5	40	CDBB	
O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2cccn2)c1	95974717	IABPMRGWKBKNAI-NSHDSACASA-N	263.253	1.231	5	40	CDBB	
O=C(O)c1c([N+](=O)[O-])cnn1CCC(F)(F)F	408715674	CJEHOOIGJFPFJW-UHFFFAOYSA-N	253.136	1.442	5	40	CDBB	
COC(=O)C(C(=O)OC)c1ccc(F)cc1[N+](=O)[O-]	33979856	YGMYINIHIYQFHB-UHFFFAOYSA-N	271.200	1.164	5	40	CDBB	
COC(=O)Cn1cnc(-c2ccccc2[N+](=O)[O-])n1	85385472	MQLJUKIAFVNOSC-UHFFFAOYSA-N	262.225	1.026	5	40	CDBB	
Cn1nnnc1SCCCOc1ccc([N+](=O)[O-])cc1	48356614	DTINYGVSERIQHP-UHFFFAOYSA-N	295.324	1.680	5	40	CDBB	
Nc1nc(N[C@@H]2CCCSC2)ncc1[N+](=O)[O-]	75094120	YGOREUNAOOKUHY-ZCFIWIBFSA-N	255.303	1.275	5	40	CDBB	
O=C(O)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2	100769801	CIKGWLMBQJIERA-ACXUVZMJSA-N	292.295	1.566	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(-c2nnc3n2CCCC3)n1	12399140	AWHFFIMIXTYBGH-UHFFFAOYSA-N	262.273	1.406	5	40	CDBB	
COc1ccc(NC(=O)N[C@@H](C)CO)c([N+](=O)[O-])c1	12989488	FQZQBIWEPMSWAM-ZETCQYMHSA-N	269.257	1.106	5	40	CDBB	
O=C1NC(C(=O)O)=C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1	5517563	ITZYTCUEDSFOBR-QMMMGPOBSA-N	297.654	1.571	5	40	CDBB	
CC[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C	67808534	NDUGMVPJKANSDR-NSHDSACASA-N	280.328	1.891	5	40	CDBB	
C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1	95450005	VERZUSVTWJBQHG-MRVPVSSYSA-N	267.285	1.868	5	40	CDBB	
O=C(O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1	37598069	SHEXURZABHONCC-UHFFFAOYSA-N	250.254	1.644	5	40	CDBB	
COCCN(CCOC)C(=O)Nc1ccc([N+](=O)[O-])cc1	32682129	VTMPDNJUCDTYHU-UHFFFAOYSA-N	297.311	1.722	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)c1cccc([N+](=O)[O-])c1	48032637	GHWSXHAISAELDO-UHFFFAOYSA-N	276.208	1.582	5	40	CDBB	
Cc1cn([C@H](CC(=O)O)C(F)(F)F)nc1[N+](=O)[O-]	675031820	PCAHBAGWUFPHHQ-RXMQYKEDSA-N	267.163	1.678	5	40	CDBB	
Cc1ccc(S(=O)(=O)/N=c2/cccc[nH]2)c([N+](=O)[O-])c1	69585828	PKCMSUVLDGKMAQ-UHFFFAOYSA-N	293.304	1.521	5	40	CDBB	
NC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])o1	4275738	HLKLMDNHTFDHQC-UHFFFAOYSA-N	281.249	1.601	5	40	CDBB	
O=C(Nc1nnc2n1CCS2)c1cccc([N+](=O)[O-])c1	9621869	XULLPMFKFXPENY-UHFFFAOYSA-N	291.292	1.544	5	40	CDBB	
O=c1ccn(CCCCCn2cccn2)cc1[N+](=O)[O-]	89885026	PPNURRRZQVXFIJ-UHFFFAOYSA-N	276.296	1.824	5	40	CDBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCc1ccncc1	12632733	RSHBICTWZYMAJQ-UHFFFAOYSA-N	297.270	1.829	5	40	CDBB	
CN(C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1	408722712	DWQHTICEPBQYNY-UHFFFAOYSA-N	251.286	1.497	5	40	CDBB	
CCCNC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	28004798	ICCMPFZTGHGONI-UHFFFAOYSA-N	279.252	1.029	5	40	CDBB	
CCCNC(=O)CN(C)CCOc1cccc([N+](=O)[O-])c1	40105753	CAMYAWDIWHDXSE-UHFFFAOYSA-N	295.339	1.432	5	40	CDBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@H]1CCOC1=O	2623246	MTOZTOGETXACCA-GQOHGMTASA-N	277.232	1.467	5	40	CDBB	
CCONC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	12526789	DWOHTHKYDHKGCS-UHFFFAOYSA-N	295.295	1.113	5	40	CDBB	
CON(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	17793099	LULZNQJETLUUST-UHFFFAOYSA-N	265.269	1.803	5	40	CDBB	
C[C@@H]1Cc2ccccc2N1C(=O)Cn1cnc([N+](=O)[O-])c1	12755278	NVJGNHJOVYDSPE-SNVBAGLBSA-N	286.291	1.769	5	40	CDBB	
O=C(O)CCn1cc(Br)c([N+](=O)[O-])n1	6328504	ZZMXTQHEZQCMRL-UHFFFAOYSA-N	264.035	1.029	5	40	CDBB	
Cc1nnnn1-c1ncc([N+](=O)[O-])cc1Br	95941799	AQLMPGUHGQNNQW-UHFFFAOYSA-N	285.061	1.036	5	40	CDBB	
CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	20111107	BQNHRNJSHYSDFZ-UHFFFAOYSA-N	258.299	1.424	5	40	CDBB	
CCc1ccc(NC(=O)N2CC[C@H](O)C2)cc1[N+](=O)[O-]	95403810	YHGZHCCQSBNFAX-NSHDSACASA-N	279.296	1.756	5	40	CDBB	
C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])o1	46857470	DCLAGUZYAYKJDM-SNVBAGLBSA-N	281.312	1.792	5	40	CDBB	
CC(C)[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1	52943179	DYSWVMBOSSQWJC-NSHDSACASA-N	251.286	1.194	5	40	CDBB	
O=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])s2)S1	106692927	QIYCVTHKQYGVRQ-HYXAFXHYSA-N	256.264	1.980	5	40	CDBB	
O=C(NC[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1	42309514	SJLJGCPMRGBRMJ-SECBINFHSA-N	265.269	1.753	5	40	CDBB	
Cc1nn(CC(=O)NC(=O)NC(C)(C)C)c(C)c1[N+](=O)[O-]	4548797	PQEQSNXEFQJHFF-UHFFFAOYSA-N	297.315	1.032	5	40	CDBB	
O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCC1	88616560	NQUADNKAEXNFRW-UHFFFAOYSA-N	289.335	1.575	5	40	CDBB	
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(COC2=O)N1	39001791	VADIDRRQDFVXKB-VIFPVBQESA-N	274.232	1.009	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccno1	10254048	MPFAARWFLBWALR-UHFFFAOYSA-N	263.209	1.844	5	40	CDBB	
COC(=O)c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1	20367858	OAXGWPKRRUBKAG-UHFFFAOYSA-N	261.237	1.626	5	40	CDBB	
Cc1cc(C)n(NC(=O)c2cccc([N+](=O)[O-])c2)c(=O)c1	2791499	IIZFNLQFGPNSAF-UHFFFAOYSA-N	287.275	1.757	5	40	CDBB	
O=[N+]([O-])c1ccn(Cc2nc3c4ccccc4ncn3n2)n1	2806470	KSBJWYNBZSQXBA-UHFFFAOYSA-N	295.262	1.431	5	40	CDBB	
CC(=O)c1ccc(N2CC[C@@H](O)C2)c([N+](=O)[O-])c1	61710607	QKSPSSAIFOZDLT-SNVBAGLBSA-N	250.254	1.368	5	40	CDBB	
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1CO	42256553	XAZZYPCERHCZEC-SNVBAGLBSA-N	282.271	1.721	5	40	CDBB	
O=[N+]([O-])c1c[nH]nc1-c1nc2c3ccccc3ncn2n1	6449020	FJUICMHOZCVTKI-UHFFFAOYSA-N	281.235	1.576	5	40	CDBB	
CS(=O)(=O)c1nccn1Cc1cccc([N+](=O)[O-])c1	72307047	NEJUNHYSTWUYQG-UHFFFAOYSA-N	281.293	1.243	5	40	CDBB	
CC(=O)c1ccc(N[C@@H](C(N)=O)C(C)C)c([N+](=O)[O-])c1	95427454	UFLLAGVEKAYWFU-GFCCVEGCSA-N	279.296	1.719	5	40	CDBB	
CC(C)[C@@H](N)c1n[nH]c(COc2ccc([N+](=O)[O-])cc2)n1	95534753	QHWMJNLAAGEFDI-GFCCVEGCSA-N	291.311	1.948	5	40	CDBB	
CCS(=O)(=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2	58611546	PTFINTDVKAHLIC-UHFFFAOYSA-N	287.293	1.396	5	40	CDBB	
NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1	15443312	FGOQYAIMZGNCRE-UHFFFAOYSA-N	267.260	1.436	5	40	CDBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCO2	12021645	WOQSFAFESNRMSB-UHFFFAOYSA-N	292.291	1.574	5	40	CDBB	
COc1n[nH]c(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-]	6187461	WWKGSFXOPYORNH-UHFFFAOYSA-N	298.205	1.857	5	40	CDBB	
COC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1	65562238	CRTZLULVRDUXME-NSHDSACASA-N	297.330	1.891	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(NC[C@H](O)C(C)(C)C)n1	80228516	JIUUVBBXKZLGKJ-VIFPVBQESA-N	269.301	1.817	5	40	CDBB	
Cc1c(I)c([N+](=O)[O-])nn1C	72339265	AIOZUEMLIBWQDV-UHFFFAOYSA-N	267.026	1.241	5	40	CDBB	
Cc1cc(=O)n(Cc2c(C)noc2C)cc1[N+](=O)[O-]	96474482	VXFBPOFIXNFNNC-UHFFFAOYSA-N	263.253	1.718	5	40	CDBB	
O=C(O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]12	5347340	ANESJQQRIFXIQS-JQWIXIFHSA-N	262.265	1.821	5	40	CDBB	
Cc1c(C(=O)Nc2ncccn2)cccc1[N+](=O)[O-]	5537119	PYYOGYLUDGBCQG-UHFFFAOYSA-N	258.237	1.946	5	40	CDBB	
C[N+]1(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CCCCC1	100793825	KACLEKGODJDZPY-XUXIUFHCSA-N	275.372	1.382	5	40	CDBB	
COc1n[nH]c(C(=O)Nc2ccccc2F)c1[N+](=O)[O-]	800691	NSUNXMMHZBGCTA-UHFFFAOYSA-N	280.215	1.718	5	40	CDBB	
Cc1c([N+](=O)[O-])cc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-]	1693074	LPPHNHBQYKUYHB-UHFFFAOYSA-N	277.192	1.241	5	40	CDBB	
NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccc1[N+](=O)[O-]	106518554	BJTDPZWRFIXVIZ-SCVCMEIPSA-N	290.323	1.613	5	40	CDBB	
CC[C@H](CO)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	35188548	DNHAJGGWAIVIBY-XUIVZRPNSA-N	264.281	1.495	5	40	CDBB	
CCOC(=O)CNc1ccc(C(=O)OCC)cc1[N+](=O)[O-]	4668682	UTJTZOXCKKDUDK-UHFFFAOYSA-N	296.279	1.747	5	40	CDBB	
COCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	89409639	IDLCMHRPCZPJIL-UHFFFAOYSA-N	264.281	1.732	5	40	CDBB	
CN1CCO[C@@H](COc2ccccc2[N+](=O)[O-])C1	217500225	CZWUOQOVDXNAPV-SNVBAGLBSA-N	252.270	1.304	5	40	CDBB	
O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1N1CCCCC1	59442614	CLQHQKVADUXBRZ-UHFFFAOYSA-N	286.309	1.832	5	40	CDBB	
COCCOC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	18259908	RBRHTUXEWDAYTA-UHFFFAOYSA-N	285.252	1.415	5	40	CDBB	
O=C(c1ncccc1O)N1CCc2ccc([N+](=O)[O-])cc21	97141354	YVCICCFFJYXQTI-UHFFFAOYSA-N	285.259	1.898	5	40	CDBB	
CCc1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)no1	78403686	MIHFEGOOKHYDCP-UHFFFAOYSA-N	290.235	1.496	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)NCc1cccs1	196100	WSCIQDNSTQXDIC-UHFFFAOYSA-N	280.309	1.478	5	40	CDBB	
C[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1	30015253	URHVPKFATWOURY-IUCAKERBSA-N	279.296	1.592	5	40	CDBB	
COc1c2c(cc3c1[C@@H](C[N+](=O)[O-])N(C)CC3)OCO2	20311224	SFTLDAVMHMOGKU-SECBINFHSA-N	280.280	1.230	5	40	CDBB	biogenic
CCCCNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	3376637	JQJMVRICKHFFHK-UHFFFAOYSA-N	270.241	1.261	5	40	CDBB	
CN(CC(C)(CO)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1	84638223	XVCWLPCUYYWWRG-UHFFFAOYSA-N	297.311	1.049	5	40	CDBB	
CCOC(=O)c1conc1[C@@H](O)c1ccc([N+](=O)[O-])cc1	504738885	APSKBQQQBHHMLY-LBPRGKRZSA-N	292.247	1.841	5	40	CDBB	
CCN1CCN(c2ccc([N+](=O)[O-])cc2OC)CC1	45886014	KLIBQXRFLAZEMM-UHFFFAOYSA-N	265.313	1.745	5	40	CDBB	
CSc1nnc2nnc3c4ccccc4[nH]c3n12	15084608	ALMBGACCSIZHMS-UHFFFAOYSA-N	256.294	1.876	5	40	CDBB	
CC(C)NC(=O)COC(=O)c1ccc(F)c([N+](=O)[O-])c1	7990078	KFSYMVUSYLQLJR-UHFFFAOYSA-N	284.243	1.415	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CCNC(=O)Oc1ccccc1	480099	BHNGZSYVJIMUDK-UHFFFAOYSA-N	290.279	1.888	5	40	CDBB	
O=C(COC(=O)c1ccccc1[N+](=O)[O-])NC1CC1	3502598	HRUZZNSEWHUSFL-UHFFFAOYSA-N	264.237	1.030	5	40	CDBB	
CCOC(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1	4141567	GTSAZPWXUTZWMO-UHFFFAOYSA-N	266.253	1.196	5	40	CDBB	
C[C@@H]1CCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O	97082476	HETLVBDSDZKZSA-SCZZXKLOSA-N	299.352	1.843	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C)C1	216908379	GFIHNPHYBKEKBI-SNVBAGLBSA-N	293.323	1.884	5	40	CDBB	
Cc1ccc(C)c(OC[C@@H](O)Cn2ccc([N+](=O)[O-])n2)c1	195545793	VHJMLUPBHVCRNC-LBPRGKRZSA-N	291.307	1.848	5	40	CDBB	
CCN1CCN(c2ccc(N)c([N+](=O)[O-])c2)CC1	584592936	HTZZDIGHKJVORN-UHFFFAOYSA-N	250.302	1.319	5	40	CDBB	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	37393925	NLQWQOYOINBACJ-SECBINFHSA-N	299.352	1.740	5	40	CDBB	
O=C(O)CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1	166807	QVBPNNMACQAWFA-UHFFFAOYSA-N	263.209	1.662	5	40	CDBB	
Cc1nc([N+](=O)[O-])c(NC[C@@H]2COC3(CCCC3)O2)n1C	101939238	JUBNAPSRLLMERC-SNVBAGLBSA-N	296.327	1.734	5	40	CDBB	
O=C(O)c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	480075	UNFXBPPXPFDILU-UHFFFAOYSA-O	259.241	1.629	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCCO2)n1	2780360	FJVAGSLTILDUFD-SCZZXKLOSA-N	282.300	1.109	5	40	CDBB	
CSc1ccc([N+](=O)[O-])c(C(=O)NCCNC(C)=O)c1	22759050	RLAGRPMGPNGMNE-UHFFFAOYSA-N	297.336	1.183	5	40	CDBB	
Nc1nc(N[C@@H](CO)c2ccccc2)ncc1[N+](=O)[O-]	69968616	LMUVVIJJYUFWOJ-VIFPVBQESA-N	275.268	1.113	5	40	CDBB	
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)NC1CC1	5971273	QLBJTEWJPWJEMZ-SSDOTTSWSA-N	251.242	1.036	5	40	CDBB	
O=c1c2cc3c(=O)n(C4CC4)ccc3nc2ccn1CCO	38829389	UYNXAPGVBSYQCW-UHFFFAOYSA-N	297.314	1.039	5	40	CDBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCNCC1	32048700	PINNDARXYRTTFA-UHFFFAOYSA-N	269.688	1.294	5	40	CDBB	
CN(C)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	95117354	SZPGOEYGCYAURI-UHFFFAOYSA-N	251.286	1.497	5	40	CDBB	
CCS(=O)(=O)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C	71904607	GXBTYASSDHPPAR-VIFPVBQESA-N	287.341	1.533	5	40	CDBB	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2031048	KNLSMYWNRPJQQR-UHFFFAOYSA-N	282.241	1.178	5	40	CDBB	
CCc1nc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])sc1C	44702004	GDIWJXNHXQOJCU-SVRRBLITSA-N	255.299	1.618	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCCCCC1	48234523	ATUHILKFFNLQQI-UHFFFAOYSA-N	264.285	1.469	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC2)cc1	24433808	WUJXPCNDIPHZDB-UHFFFAOYSA-N	256.283	1.283	5	40	CDBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCNCC1	67799735	RNEDOZFMJQGDQP-UHFFFAOYSA-N	283.715	1.684	5	40	CDBB	
Cc1cc(=O)n(C[C@H]2CCCCO2)cc1[N+](=O)[O-]	95416413	ALYHXVZDDQBVLY-SNVBAGLBSA-N	252.270	1.634	5	40	CDBB	
NC1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	51693347	VRDNQBUFINZSTP-UHFFFAOYSA-N	299.352	1.143	5	40	CDBB	
Cc1cccc(C(=O)N[C@@H](C)Cn2ccnc2)c1[N+](=O)[O-]	44917233	LOOOJPDPTRVPAB-NSHDSACASA-N	288.307	1.918	5	40	CDBB	
C[C@@H]1CN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])CCO1	11233055	MSUZTQQHGOKDPM-SECBINFHSA-N	298.270	1.360	5	40	CDBB	
C[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(OCC(F)F)n1	408715594	BYFXORACVRMNQO-BYPYZUCNSA-N	265.172	1.081	5	40	CDBB	
O=[N+]([O-])c1cccc(-n2nnnc2C(F)(F)F)c1	96193742	QIDHPBSLQMUISF-UHFFFAOYSA-N	259.147	1.589	5	40	CDBB	
Cc1cc(NCC2CCS(=O)(=O)CC2)ncc1[N+](=O)[O-]	95975085	VFLPTMQHOZHGKX-UHFFFAOYSA-N	299.352	1.535	5	40	CDBB	
O=[N+]([O-])c1ccc(CNC2CCC(O)CC2)cc1	20089504	FKJKPBQIJZARRP-UHFFFAOYSA-N	250.298	1.988	5	40	CDBB	
CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	4965054	SJYQIOXVQKCWQC-UHFFFAOYSA-N	256.189	1.236	5	40	CDBB	
C[C@H](SCCO)C(=O)Nc1ccc([N+](=O)[O-])cc1	33045886	JRNDFQANLAZDCV-QMMMGPOBSA-N	270.310	1.647	5	40	CDBB	
CC[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1	12527999	LAYVTPFFXMQLKD-SNVBAGLBSA-N	279.296	1.309	5	40	CDBB	
CCCCN(CC)C(=O)Cn1cc([N+](=O)[O-])nc1C	65722399	MWDZRSNRFSPJLB-UHFFFAOYSA-N	268.317	1.748	5	40	CDBB	
C[C@H](CO)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	95436621	VMQFFSDPJZLCTL-SECBINFHSA-N	293.323	1.622	5	40	CDBB	
O=C1OCC[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]12	95976191	VQZXPJYMFVBSBL-LDYMZIIASA-N	263.253	1.132	5	40	CDBB	
CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	35686125	TVULLNWMGXZRMJ-UHFFFAOYSA-N	264.690	1.546	5	40	CDBB	
COCCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-]	78876599	RCSFCJAGOFAXDT-UHFFFAOYSA-N	272.688	1.967	5	40	CDBB	
O=C(O)c1cccn(Cc2ccc([N+](=O)[O-])cc2)c1=O	41670163	ZNWCLRXDCXYREH-UHFFFAOYSA-N	274.232	1.503	5	40	CDBB	
COC(=O)[C@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2OC)C1	45953035	SLXPBHYYCMAUIV-QMMMGPOBSA-N	294.263	1.129	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1Nc1cc(=O)[nH]c(=O)[nH]1	41077923	MJLXVADOCHKSTC-UHFFFAOYSA-N	262.225	1.023	5	40	CDBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	575339259	UJKQSPWJCHZRTP-UHFFFAOYSA-N	270.188	1.261	5	40	CDBB	
NS(=O)(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1	5701879	SOFOTSKXAYETNH-UHFFFAOYSA-N	285.325	1.597	5	40	CDBB	
COc1ccc(-c2[nH]ncc2C(=O)O)cc1[N+](=O)[O-]	71980930	XSVCYIDOTKMJDU-UHFFFAOYSA-N	263.209	1.692	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])c(C)c(S(C)(=O)=O)c1	85223753	QSQZFJCIEFANLL-UHFFFAOYSA-N	287.293	1.483	5	40	CDBB	
Nc1ccc(CO[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-]	5580520	KTWJSOPCHUCXRY-AWEZNQCLSA-N	295.339	1.498	5	40	CDBB	
O=c1c2nc3ccccc3n2c(=O)c2nc3ccccc3n12	1696212	JENBHZAXIYXEHW-UHFFFAOYSA-N	288.266	1.447	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCSCC1	79830	RQRSQGACLSPNHK-UHFFFAOYSA-N	288.350	1.332	5	40	CDBB	
COC(=O)Cc1onc(-c2ccccc2)c1[N+](=O)[O-]	1611202	QMCCWKRIGCCUNL-UHFFFAOYSA-N	262.221	1.965	5	40	CDBB	
Cn1nnnc1SC(=O)c1cccc([N+](=O)[O-])c1	6505107	VZYUEXDQXCTEKX-UHFFFAOYSA-N	265.254	1.051	5	40	CDBB	
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)CC1	89819061	MMBKPZLIMAEUCO-UPJWGTAASA-N	281.356	1.129	5	40	CDBB	
Cc1nnc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)s1	48355147	WUDCRTBVNPASTF-UHFFFAOYSA-N	296.312	1.288	5	40	CDBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@H]1CCOC1=O	4219471	ZVDDCXFXFSMIDI-JTQLQIEISA-N	297.288	1.546	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1OCCCN1CCOCC1	19932872	SFNZIMQTRGQWJX-UHFFFAOYSA-N	296.323	1.705	5	40	CDBB	
CCN1C[C@@H](C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CC1=O	72274412	JVFSYFOVTSZMHW-QMMMGPOBSA-N	295.270	1.541	5	40	CDBB	
C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	97162574	LQMDERWQNIWLMI-LURJTMIESA-N	258.661	1.359	5	40	CDBB	
CC(C)C[C@@H](CO)NC(=O)NCc1cccc([N+](=O)[O-])c1	95424439	UIJYHJXXSRHYDP-LBPRGKRZSA-N	295.339	1.801	5	40	CDBB	
Cc1ccc(NC(=O)CN2CCCOC2=O)cc1[N+](=O)[O-]	75108616	SAGNVYCPYSETBG-UHFFFAOYSA-N	293.279	1.684	5	40	CDBB	
CCN(CC)c1cc(OC)c(C(N)=O)cc1[N+](=O)[O-]	45957648	FNWVPQMARXHQFJ-UHFFFAOYSA-N	267.285	1.549	5	40	CDBB	
CC(C)(C)c1nc(C(C)(C)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1	69176940	FHYHIHTZOFDJBX-HTQZYQBOSA-N	296.327	1.384	5	40	CDBB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C/C(=O)O	1594117	NFRQBXNHBOPENN-ONEGZZNKSA-N	253.210	1.710	5	40	CDBB	
CC(C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	8062338	RBUYZMAVHOKTTA-UHFFFAOYSA-N	299.714	1.503	5	40	CDBB	
Cn1c(=O)c2cc(C(=O)O)c(=O)oc2c2ccccc21	45664	PWRTWTUHELGKDM-UHFFFAOYSA-N	271.228	1.343	5	40	CDBB	
CCc1nnc(Sc2c([N+](=O)[O-])ncn2C)n1C	69381036	FMFOLYHPUHPFAM-UHFFFAOYSA-N	268.302	1.170	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CCC(=O)N1CCC[C@H](C)C1	2752031	RRZBPCSHMOPFMT-JTQLQIEISA-N	280.328	1.748	5	40	CDBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1CC1	48494181	FGJLYPWWDVKERG-UHFFFAOYSA-N	283.671	1.465	5	40	CDBB	
CO[C@@H](CNC(=O)c1n[nH]c(C)c1[N+](=O)[O-])C(C)(C)C	73218557	SXCJHJIQKHMDGQ-QMMMGPOBSA-N	284.316	1.417	5	40	CDBB	
CC[C@@H](C)ONC(=O)c1cc([N+](=O)[O-])ccc1N	195577295	NWRVMYDPZCKKJG-SSDOTTSWSA-N	253.258	1.637	5	40	CDBB	
C[N@+]12CCCC[C@@H]1[C@@H](N1C(=O)CCC1=O)CCC2	247651139	MYYOGQZKFKTQSS-HWWQOWPSSA-N	251.350	1.297	5	40	CDBB	biogenic,in-vitro
C[C@@H]1CCC[C@@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C	2778558	LZNXBHPFBWWQQL-RKDXNWHRSA-N	266.301	1.731	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H]2CO2)cc1[C@H]1CO1	4265920	VRCHONYMQBZRLX-NXEZZACHSA-N	252.182	1.646	5	40	CDBB	
C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	89895256	KVGOXCQMOASCKG-MWLCHTKSSA-N	293.323	1.553	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2F)n1	4742741	SMFFBKUPBSTHGK-UHFFFAOYSA-N	292.270	1.880	5	40	CDBB	
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](O)C1	34887454	PQWGTNGDOZCMIA-MFKMUULPSA-N	293.323	1.379	5	40	CDBB	
CC(C)[C@@H](N)c1n[nH]c(COc2cccc([N+](=O)[O-])c2)n1	95534775	FLYVGLRWAQREQR-GFCCVEGCSA-N	291.311	1.948	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCNCC2)cc1-n1ccnc1	20436144	CCMPTXINMXLAHM-UHFFFAOYSA-N	273.296	1.190	5	40	CDBB	
NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O	195450	KCHRHUZMJQITPX-UHFFFAOYSA-N	257.205	1.218	5	40	CDBB	
CC1(C)[C@H]([N+](=O)[O-])CN(Cc2ccccc2)C[C@@H]1[N+](=O)[O-]	12384100	CHKBIURCLZRTMT-BETUJISGSA-N	293.323	1.819	5	40	CDBB	
CN(C)CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	3214233	OFCCFFQHRWLVPP-UHFFFAOYSA-N	285.731	1.930	5	40	CDBB	
O=C1C[C@H](c2ccccc2[N+](=O)[O-])C2=C(COC2=O)N1	1403339	CMFRQZYHXHDEEQ-MRVPVSSYSA-N	274.232	1.009	5	40	CDBB	
Cc1cnc(N2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])c1	78664064	SJTZNDBHJJCICU-LLVKDONJSA-N	281.312	1.276	5	40	CDBB	
CCCNC(=O)NCCNc1ccccc1[N+](=O)[O-]	6585502	ITVIYJRGTOPBBA-UHFFFAOYSA-N	266.301	1.716	5	40	CDBB	
O=[N+]([O-])c1cnc(NCCc2cn3ccccc3n2)nc1	96011493	NFGFOYFHAYRHFN-UHFFFAOYSA-N	284.279	1.687	5	40	CDBB	
COc1ccc(-c2nn(C)c(N)c2C)cc1[N+](=O)[O-]	36938008	VIUAKMMPKONZBJ-UHFFFAOYSA-N	262.269	1.895	5	40	CDBB	
COC[C@@H](C)NC(=O)COc1c(C)ccc([N+](=O)[O-])c1C	40068505	MHRKCOOWFNEPKS-SNVBAGLBSA-N	296.323	1.742	5	40	CDBB	
CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2N)CC1	43827423	JNXOKTJJTCLQNN-UHFFFAOYSA-N	293.323	1.957	5	40	CDBB	
COC(=O)/C=C\c1cc(OC)c(OC)cc1[N+](=O)[O-]	97447412	ZNTYPDPRULFABN-PLNGDYQASA-N	267.237	1.798	5	40	CDBB	
CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C(=O)OC	158078425	QIPDQRKMLZQYHQ-MRVPVSSYSA-N	296.279	1.285	5	40	CDBB	
COc1ccc(C(=O)NC2=NCCS2)cc1[N+](=O)[O-]	513841	PEERAJVQUMSSTG-UHFFFAOYSA-N	281.293	1.436	5	40	CDBB	
O=C(/C=C1/SC(=O)NC1=O)Nc1ccc([N+](=O)[O-])cc1	5022491	RRECTZBLYRRURC-VMPITWQZSA-N	293.260	1.400	5	40	CDBB	
O=C(COc1cccc([N+](=O)[O-])c1)NCC1CCC1	31438146	ODASKAMJEDCPDW-UHFFFAOYSA-N	264.281	1.890	5	40	CDBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCOC1=O	4219470	ZVDDCXFXFSMIDI-SNVBAGLBSA-N	297.288	1.546	5	40	CDBB	
O=[N+]([O-])c1c(N[C@H]2CC[S@](=O)C2)nc2sccn12	76093004	DXAXYWHSKHMNCC-AHGSNSTDSA-N	286.338	1.237	5	40	CDBB	
CC[C@H](CCO)CNC(=O)c1cc([N+](=O)[O-])ccc1OC	79073283	QCIVTOHKSLGUGJ-SNVBAGLBSA-N	296.323	1.742	5	40	CDBB	
C[C@@H]1CCCN(c2nc(N(C)C)nc(N)c2[N+](=O)[O-])C1	5176686	WTMQHMYCQFCCQX-MRVPVSSYSA-N	280.332	1.269	5	40	CDBB	
O=C(CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1	25503904	MXKMKEKSGBGJGK-UHFFFAOYSA-N	264.281	1.500	5	40	CDBB	
CCN(CC)C[C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1CC	2781361	JHSMHKMGQQPKLS-JTQLQIEISA-N	297.359	1.271	5	40	CDBB	
CCN(CC)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1	2781270	QGKGIHMQXVWNFT-LLVKDONJSA-N	297.359	1.028	5	40	CDBB	
O=C(O)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4058739	XSSZEVXYIHNWQO-UHFFFAOYSA-N	255.186	1.390	5	40	CDBB	
Nc1nc(N2CCCC2)nc(N2CCCCC2)c1[N+](=O)[O-]	5026071	MUXBPDPHVSVYHE-UHFFFAOYSA-N	292.343	1.558	5	40	CDBB	
CC1=C([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	4314468	ZSXSYCIZQRDPGW-VIFPVBQESA-N	278.224	1.457	5	40	CDBB	
CN(Cc1cnn(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	25046450	NMZHTTUUSCPJBC-UHFFFAOYSA-N	288.307	1.529	5	40	CDBB	
COc1ccccc1CNc1c([N+](=O)[O-])ncn1C	7124430	HTNQVKTYAQFUEZ-UHFFFAOYSA-N	262.269	1.949	5	40	CDBB	
COc1c(OC(C)=O)ccc(C(C)=O)c1[N+](=O)[O-]	75629452	GZBSZZNAYCTRNV-UHFFFAOYSA-N	253.210	1.731	5	40	CDBB	
COc1cc([N+](=O)[O-])cc(CCN)c1OC(F)F	78406403	LFWFXOLSOWZOQR-UHFFFAOYSA-N	262.212	1.706	5	40	CDBB	
O=C(NC[C@@H]1CCCO1)C1(c2ccc([N+](=O)[O-])cc2)CC1	225990624	BBALKGDWUKIHLD-ZDUSSCGKSA-N	290.319	1.922	5	40	CDBB	
CN(CC(=O)N[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-]	96430942	XKCJTXGTTHGYMS-NSHDSACASA-N	293.323	1.326	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(N3CC[C@H](CO)C3)cnc2c1	91355827	VDPAEMZHKRRLNI-VIFPVBQESA-N	274.280	1.357	5	40	CDBB	
Cc1nn(Cc2nnc(C3CC3)n2C)cc1[N+](=O)[O-]	97375706	HTSVVNHTFBHPQN-UHFFFAOYSA-N	262.273	1.154	5	40	CDBB	
O=C(NCCn1cccc1)c1cccc([N+](=O)[O-])c1O	89878815	VCCOJZKAOIOSOQ-UHFFFAOYSA-N	275.264	1.532	5	40	CDBB	
NC(=O)c1ccc(NCC[C@@H]2CCCO2)c([N+](=O)[O-])c1	24202709	PVZYAHOPUMEARE-JTQLQIEISA-N	279.296	1.675	5	40	CDBB	
O=C1NCCN1[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	70040235	VHZLWZVKLLQJIC-NSHDSACASA-N	290.323	1.589	5	40	CDBB	
COC(=O)[C@H](CCc1ccccc1[N+](=O)[O-])C(C)=O	1666533	IPZPRFPPFMZPCX-LLVKDONJSA-N	265.265	1.906	5	40	CDBB	
O=C(NCC(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc12	32796912	NVRZEQSDICGCOX-UHFFFAOYSA-N	288.185	1.763	5	40	CDBB	
CN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1c(F)cccc1F	44979892	CKBQWMILLAEJCQ-IMTBSYHQSA-N	256.208	1.593	5	40	CDBB	
CCNC(=O)CSCc1cccc([N+](=O)[O-])c1	408723875	XNYODVJLIKAERY-UHFFFAOYSA-N	254.311	1.964	5	40	CDBB	
COc1ccc(NC(=O)CCn2cccn2)cc1[N+](=O)[O-]	96501417	BJJOIJLCYQKBJJ-UHFFFAOYSA-N	290.279	1.829	5	40	CDBB	
CN(C)C1(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CCCCCC1	47297919	NIQUDOVSXCLPFR-NEPJUHHUSA-N	283.372	1.422	5	40	CDBB	
COCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	14099320	AKUVKAQMOSXOBX-UHFFFAOYSA-N	294.716	1.173	5	40	CDBB	
O=C(O)CCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	1745450	QZSZBSNFBWBTOS-SCSAIBSYSA-N	280.491	1.493	5	40	CDBB	
CN(C)CCCNc1ccc2nonc2c1[N+](=O)[O-]	4833684	PXFJWLXZJVOUAV-UHFFFAOYSA-N	265.273	1.495	5	40	CDBB	
O=C(NCCO)Nc1cc2ccncc2c2ncccc12	6045369	NWECLYJAOCOVJG-UHFFFAOYSA-N	282.303	1.897	5	40	CDBB	
Cc1c(C(=O)O[C@H]2CCOC2=O)cccc1[N+](=O)[O-]	3244420	QRCCEYWLTVPGTP-JTQLQIEISA-N	265.221	1.376	5	40	CDBB	
Cc1cc(NC(=O)CCn2c([N+](=O)[O-])cnc2C)no1	95438653	SPGCOXCGGOWBDH-UHFFFAOYSA-N	279.256	1.425	5	40	CDBB	
COC(=O)CCCCNC(=O)c1cccc([N+](=O)[O-])c1O	95426825	GISMMNPGLJZONQ-UHFFFAOYSA-N	296.279	1.374	5	40	CDBB	
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H]1CO	152710752	NRKZQYYTMIBEMT-SECBINFHSA-N	284.699	1.845	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])c(Br)cc1O	45957458	GRPPMTYOPCAAMJ-UHFFFAOYSA-N	262.015	1.761	5	40	CDBB	
CC(C)[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)O	19504638	GJCLFMMUHRVUEL-YBJDMEARSA-N	292.291	1.833	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCOCC(F)(F)F)nc1	19626850	ZPEHSTOHARCEEY-UHFFFAOYSA-N	265.191	1.981	5	40	CDBB	
COC(=O)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1	9338486	KOGCKLVNSRDIQA-SNVBAGLBSA-N	280.280	1.972	5	40	CDBB	
CC1(C)CN(C2COC2)CCN1c1ccc([N+](=O)[O-])nc1	1857794762	QYFORDLTHAUZJU-UHFFFAOYSA-N	292.339	1.289	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)O	125588	PHSZXRAMYNBQCH-UHFFFAOYSA-N	252.226	1.707	5	40	CDBB	
Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(O)CC1	25399229	VFYYKLPPKIKHJM-UHFFFAOYSA-N	293.323	1.298	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])c1ncnc2c1cnn2C	25495864	DZQZYLUHWUNWFW-UHFFFAOYSA-N	298.306	1.908	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](CCO)C1	76092009	YCBYIMXBBDHNTD-SNVBAGLBSA-N	279.296	1.831	5	40	CDBB	
Cc1[nH]nc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-]	58217756	CIQHCCUPUWAKSM-UWVGGRQHSA-N	294.311	1.410	5	40	CDBB	
CS(=O)(=O)N1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])C1	49056189	ONMYTVFJHMIUMB-SNVBAGLBSA-N	299.352	1.431	5	40	CDBB	
CCS(=O)(=O)NCCNc1ccc(F)cc1[N+](=O)[O-]	69517339	ASBDPSMVEOFNHN-UHFFFAOYSA-N	291.304	1.085	5	40	CDBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1	5025326	XHSMUGMXKDYJKA-UHFFFAOYSA-N	266.305	1.023	5	40	CDBB	
CCCn1c(C)nnc1SCn1cc([N+](=O)[O-])cn1	6400399	KJQKHBILMOUWHM-UHFFFAOYSA-N	282.329	1.851	5	40	CDBB	
CCN(CC)c1ccc2nc3c(=O)[nH]c(O)nc3nc2c1	9668615	WKJWYNUYVIYXPZ-UHFFFAOYSA-N	285.307	1.418	5	40	CDBB	
CN(C)CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl	85361634	DZRLFWUGIGRXDW-UHFFFAOYSA-N	299.758	1.811	5	40	CDBB	
C[C@H](Sc1ncn[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1	9953002	NUZQPXDSQHYPCK-ZETCQYMHSA-N	293.308	1.832	5	40	CDBB	
CCc1cc(C(=O)N2CCOCC2)c(OC)c([N+](=O)[O-])c1	72206667	VCLTXBQRXXCEGZ-UHFFFAOYSA-N	294.307	1.638	5	40	CDBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1CO	42433420	WSNWTEDNJVCMEI-VIFPVBQESA-N	250.254	1.192	5	40	CDBB	
CCS(=O)(=O)[C@@H](C)[C@H](O)c1cccc([N+](=O)[O-])c1	96519400	DDBJXXUPETWBKC-KWQFWETISA-N	273.310	1.451	5	40	CDBB	
O=C(COc1ccc(/C=C/[N+](=O)[O-])cc1)N1CCOCC1	611432	UKMFYHIIVBBYIA-AATRIKPKSA-N	292.291	1.172	5	40	CDBB	
CN(C)c1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-]	17356263	YZYKOEWKOLLVDX-UHFFFAOYSA-N	263.297	1.897	5	40	CDBB	
CCN(CC)CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21	19203092	JHKQIPYQLKCIEE-UHFFFAOYSA-N	277.280	1.423	5	40	CDBB	
Cc1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1	1428935	HZDSECYKTXNFHE-UHFFFAOYSA-N	261.241	1.133	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1F	4743058	ZFWLEYZSWRCQEA-UHFFFAOYSA-N	278.243	1.247	5	40	CDBB	
O=c1oc2ccc([N+](=O)[O-])cc2c(O)c1[N+](=O)[O-]	6322678	CEVVPXAFAUWIMW-UHFFFAOYSA-N	252.138	1.315	5	40	CDBB	
O=C(O)[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-]	22176812	LEFPKMYHXKKXMH-VIFPVBQESA-N	251.242	1.433	5	40	CDBB	
CCOC(=O)C1=C(C)NC(=N)N[C@@H]1c1ccc([N+](=O)[O-])o1	107960561	HOSDWYPRQUNXAF-SNVBAGLBSA-N	294.267	1.194	5	40	CDBB	
C[C@H]1COCCN1[C@H](C)CNc1ccncc1[N+](=O)[O-]	110587859	XRCMNIMYAJWEJK-MNOVXSKESA-N	280.328	1.511	5	40	CDBB	
CCOC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1F	1794300	YEDIVEXFFHQTTO-UHFFFAOYSA-N	256.189	1.236	5	40	CDBB	
Cc1c(C(=O)N2CCC[C@H](C(=O)O)C2)cccc1[N+](=O)[O-]	13170418	YXPJDHLGMOJNAX-JTQLQIEISA-N	292.291	1.840	5	40	CDBB	
CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1	4117388	OJDMYZGKJSNIAY-UHFFFAOYSA-N	293.323	1.523	5	40	CDBB	
CN(Cc1cc[nH]n1)C(=O)c1cccc([N+](=O)[O-])c1N	95407957	AUCVKHJYOCHIPM-UHFFFAOYSA-N	275.268	1.172	5	40	CDBB	
NS(=O)(=O)c1cccc([N+](=O)[O-])c1Br	169809219	OKWYGYDVVWJFHO-UHFFFAOYSA-N	281.087	1.005	5	40	CDBB	
CC(C)C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1	14257564	VDLYKILPWDRUHI-UHFFFAOYSA-N	282.325	1.568	5	40	CDBB	
CN(C)C(=S)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	1562775	VKGXYEIBCJSESQ-UHFFFAOYSA-N	274.323	1.215	5	40	CDBB	
Cc1cccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)n1	1432173	SVDWBVHRHZEDSY-UHFFFAOYSA-N	275.268	1.442	5	40	CDBB	
CC[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	20038348	SPYXRQUWHUUTSV-VIFPVBQESA-N	272.326	1.813	5	40	CDBB	
COCCCNC(=O)CN(C)c1cccc(F)c1[N+](=O)[O-]	58307179	LGHFOGPGQYNIGC-UHFFFAOYSA-N	299.302	1.323	5	40	CDBB	
COc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)cc1	36636286	DIZYLFORPURWJT-UHFFFAOYSA-N	297.292	1.345	5	40	CDBB	
CC[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	96518070	XMOZRQGXDCNKMP-LLVKDONJSA-N	285.321	1.991	5	40	CDBB	
COC(=O)c1cn(Cc2ccc(C)cc2)nc1[N+](=O)[O-]	675031360	HEWRJHLIEAPXIT-UHFFFAOYSA-N	275.264	1.935	5	40	CDBB	
CC(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	13939094	WDWDCZMJNJZCMY-UHFFFAOYSA-N	272.326	1.919	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1CO	153998416	RDTIROUSKJVIPH-LLVKDONJSA-N	298.726	1.774	5	40	CDBB	
COc1nc(-c2cccc([N+](=O)[O-])c2)oc(=O)c1C	6184755	FKWQAQDZQGESPK-UHFFFAOYSA-N	262.221	1.927	5	40	CDBB	
Cn1cnnc1Sc1ccc(C(=O)O)cc1[N+](=O)[O-]	3223819	TVPOZQAJUXDKOU-UHFFFAOYSA-N	280.265	1.573	5	40	CDBB	
Cc1cnc(Nc2cc(F)ccc2[N+](=O)[O-])n(N)c1=O	408976645	BMJLAEVWFXWAJY-UHFFFAOYSA-N	279.231	1.056	5	40	CDBB	
Cc1nn([C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-]	6527468	YPJCFGLSLLYLPM-FXPVBKGRSA-N	296.327	1.297	5	40	CDBB	
COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	96997784	JAUUJFKYIVJWEL-SSDOTTSWSA-N	282.227	1.260	5	40	CDBB	
Cc1cc(N[C@@H]2CCCN(C(N)=O)C2)ccc1[N+](=O)[O-]	97108325	RZCCKGKMQYYEFV-LLVKDONJSA-N	278.312	1.858	5	40	CDBB	
O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2nccnc12	71255914	WVWRXBLDNBGJGY-UHFFFAOYSA-N	270.204	1.553	5	40	CDBB	
COc1cc(N2CCC(CO)CC2)ccc1[N+](=O)[O-]	91355788	LHOUEXISFKGKEG-UHFFFAOYSA-N	266.297	1.812	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1	5219317	XAZOZCZNOBUXGE-SSDOTTSWSA-N	266.305	1.245	5	40	CDBB	
O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ncccc21	25972275	MIAFKOUDAIHDIM-NSHDSACASA-N	270.248	1.844	5	40	CDBB	
CC[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-]	2679919	QJKOJNFYUVMMIU-GHMZBOCLSA-N	268.313	1.723	5	40	CDBB	
CCOC(=O)[C@H]1CNc2cc([N+](=O)[O-])ccc2O1	60270882	YKLKADMWGXJPCX-SNVBAGLBSA-N	252.226	1.331	5	40	CDBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCC1	2622729	JTUVNYFWPLDWKZ-UHFFFAOYSA-N	292.291	1.810	5	40	CDBB	
O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1	58158446	YYJKIUVBZAAPCG-LLVKDONJSA-N	275.308	1.561	5	40	CDBB	
CN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1c(F)cccc1F	44979886	CKBQWMILLAEJCQ-RCOVLWMOSA-N	256.208	1.593	5	40	CDBB	
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	3343643	JHRVBNUDORTATC-JTQLQIEISA-N	298.274	1.365	5	40	CDBB	
C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O	3379267	IJKNALURSDMKGW-RXMQYKEDSA-N	272.644	1.451	5	40	CDBB	
CNC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7270745	SGMWVXDPFYPIKX-UHFFFAOYSA-N	277.202	1.772	5	40	CDBB	
CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)C(C)C	79421016	HOBBLWIDLWOIOA-ZDUSSCGKSA-N	279.340	1.927	5	40	CDBB	
CCc1nn(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N	195577271	ONNWKDNROMBVMJ-UHFFFAOYSA-N	289.295	1.725	5	40	CDBB	
Cc1cc(O)n(-c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)n1	23718493	OVUKYCLEDOZVGU-UHFFFAOYSA-N	299.264	1.041	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)nn1	72281605	COFQQVZHOBMIIY-UHFFFAOYSA-N	296.674	1.264	5	40	CDBB	
O=C(OC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-]	76090865	GOWHNEUOYWCWBS-BNOWGMLFSA-N	290.319	1.721	5	40	CDBB	
COc1cc(N[C@H]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-]	95429698	QJZFFNAJAUMUMW-UWVGGRQHSA-N	279.296	1.669	5	40	CDBB	
Cn1nnc2c([N+](=O)[O-])ccc(Br)c21	218257173	FPBUDTWHYGITNV-UHFFFAOYSA-N	257.047	1.639	5	40	CDBB	
CC[C@@H](NC(=O)COC)c1cccc([N+](=O)[O-])c1	96454678	MBXPVIBLMFCWMM-LLVKDONJSA-N	252.270	1.809	5	40	CDBB	
Cc1nnsc1C(=O)Nc1ncc([N+](=O)[O-])s1	11914118	BXUTXNZIRCUPNB-UHFFFAOYSA-N	271.283	1.464	5	40	CDBB	
CC(C)n1nnnc1Sc1ncccc1[N+](=O)[O-]	15142935	DUERURYCTNDBBL-UHFFFAOYSA-N	266.286	1.708	5	40	CDBB	
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(c2ccccc2)CC1	47268044	CIWLATSKVYRUAW-STQMWFEESA-N	275.308	1.000	5	40	CDBB	
CC(C)N(CC(N)=O)c1ccc([N+](=O)[O-])cc1Cl	5935565	XSXPWZRBLYXSTB-UHFFFAOYSA-N	271.704	1.948	5	40	CDBB	
C[C@H](CO)Nc1c(Br)cncc1[N+](=O)[O-]	97144404	XWNRVMPZCWKWFD-RXMQYKEDSA-N	276.090	1.545	5	40	CDBB	
CN(C)C(=O)c1c(F)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4535583	QUWAKSXJQYNBMO-UHFFFAOYSA-N	257.177	1.344	5	40	CDBB	
C[C@@]1(CO)CCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1	95427203	HCQKTYWXTBSXOG-ZFWWWQNUSA-N	292.335	1.805	5	40	CDBB	
CCOC(=O)c1ccoc1Cn1cc([N+](=O)[O-])ccc1=O	16280472	YRDSALAVRHQPCU-UHFFFAOYSA-N	292.247	1.575	5	40	CDBB	
CC1CCN(S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1	36963006	SGCDYGIOMZUCIW-UHFFFAOYSA-N	299.352	1.598	5	40	CDBB	
CC[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-]	2679917	QJKOJNFYUVMMIU-MNOVXSKESA-N	268.313	1.723	5	40	CDBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1	36329772	BORDTLDWOQHRRS-GFCCVEGCSA-N	264.281	1.545	5	40	CDBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1	15174167	ILBVVSPRMAXYML-UHFFFAOYSA-N	299.352	1.987	5	40	CDBB	
CC(=O)c1cc(N2CCC(O)CC2)ccc1[N+](=O)[O-]	8762661	FFKJSZFTLQBFOA-UHFFFAOYSA-N	264.281	1.759	5	40	CDBB	
Cc1ccc(NC(=O)Cn2ccsc2=N)c([N+](=O)[O-])c1	7239068	WEJJWFZZGNXJGT-UHFFFAOYSA-N	292.320	1.884	5	40	CDBB	
CNC(=O)Cc1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1	95413907	LNJPBYOPNYIJFJ-AATRIKPKSA-N	288.263	1.437	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2n[nH]c(Cn3ccnc3)n2)cc1	40176244	KNUWFLMZCYFABS-UHFFFAOYSA-N	270.252	1.625	5	40	CDBB	
CNC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1	91355790	LRAFWYBIXWWREQ-UHFFFAOYSA-N	265.313	1.792	5	40	CDBB	
O=[N+]([O-])c1ccnn1CN1CCN(c2ccccc2)CC1	40554218	UFAWNSHPTJVOGN-UHFFFAOYSA-N	287.323	1.571	5	40	CDBB	
COCCCn1ccc(Nc2ccncc2[N+](=O)[O-])n1	76063466	FDTJVKBVKGQHJH-UHFFFAOYSA-N	277.284	1.966	5	40	CDBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC1CNC1	42770156	AQKLDHYNULJRLA-UHFFFAOYSA-N	262.187	1.964	5	40	CDBB	
CC(C)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	5250793	ZDEHHZNGTSMIFE-UHFFFAOYSA-N	265.269	1.306	5	40	CDBB	
COC(=O)c1cc(N)c(C)c(NC(C)=O)c1[N+](=O)[O-]	5336568	YCQKBRPRCPVQCM-UHFFFAOYSA-N	267.241	1.230	5	40	CDBB	
O=C1C[C@H](C(=O)O)[C@@H](c2cccc([N+](=O)[O-])c2)O1	1747143	QPJTYBKOUUEXKK-WCBMZHEXSA-N	251.194	1.284	5	40	CDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2c[nH]c3ccccc23)N1	1767153	DXLCPMHCXGLSGL-DGCLKSJQSA-N	259.265	1.764	5	40	CDBB	
O=C(NCCCn1cccn1)c1ccc([N+](=O)[O-])o1	32809543	OXQWKIYCTDZERP-UHFFFAOYSA-N	264.241	1.204	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1=COCCO1	12870002	RQNXJMVMAVKUPG-UHFFFAOYSA-N	264.237	1.730	5	40	CDBB	
CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])cn1	6665690	QZPKVECFUKSRKG-UHFFFAOYSA-N	282.252	1.200	5	40	CDBB	
CNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1	71894537	FABJTAPXSINXHL-SECBINFHSA-N	281.287	1.696	5	40	CDBB	
O=C(CN1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	20432444	PUVFECPYVFLLIC-UHFFFAOYSA-N	299.714	1.519	5	40	CDBB	
CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1	95929099	ZMHSBMVQKGPJHV-UHFFFAOYSA-N	294.311	1.456	5	40	CDBB	
CCOC(=O)[C@@H](C)C(=O)NC(=O)c1ccc([N+](=O)[O-])cc1	5170953	GLSNKGIIZRGLAG-QMMMGPOBSA-N	294.263	1.050	5	40	CDBB	
O=Cc1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1	5996031	OVDSWHHRPWESRG-UHFFFAOYSA-N	250.239	1.677	5	40	CDBB	
CCCn1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	568945	PISUPYDJEYPMDE-UHFFFAOYSA-N	290.283	1.552	5	40	CDBB	
CC[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-]	2679918	QJKOJNFYUVMMIU-QWRGUYRKSA-N	268.313	1.723	5	40	CDBB	
O=[N+]([O-])c1ccccc1NCc1nnc2n1CCC2	22102349	AEBMUZYPWUWEBV-UHFFFAOYSA-N	259.269	1.745	5	40	CDBB	
CC(C)NC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	25592929	KWEVXUHSFITVNX-UHFFFAOYSA-N	279.252	1.027	5	40	CDBB	
Cc1cc(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)ncn1	58161105	JVMKENZEYFBPHC-LBPRGKRZSA-N	274.280	1.839	5	40	CDBB	
CCn1ccnc1SCCn1cc([N+](=O)[O-])cn1	74783262	NHKLIBXKRJPTEB-UHFFFAOYSA-N	267.314	1.800	5	40	CDBB	
Cc1cnc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cn1	32816860	UYBOYBWPHRGXDI-UHFFFAOYSA-N	286.291	1.965	5	40	CDBB	
O=C1Nc2cc([N+](=O)[O-])ccc2O[C@@]1(O)C(F)(F)F	2492377	CATUPQKMCLYNGQ-MRVPVSSYSA-N	278.142	1.177	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1/C=C\Cn1cc([N+](=O)[O-])nc1C	8651733	NCGYBIBAMCQSSU-ARJAWSKDSA-N	292.255	1.684	5	40	CDBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC(O)C1	57839085	DEZZJZNKPAZYSF-UHFFFAOYSA-N	262.187	1.795	5	40	CDBB	
Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	13817968	KOIVUWVUUSPAKL-UHFFFAOYSA-N	293.304	1.978	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)O)C[C@@H](C)O1	15443255	UIPNFRABNZPIBW-DTORHVGOSA-N	280.280	1.907	5	40	CDBB	
COCCOCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C	71799865	RBUDVCTWICXMFO-JTQLQIEISA-N	294.307	1.535	5	40	CDBB	
O=[N+]([O-])c1cc(Br)[n+]([O-])c(Br)c1	35653831	MJEDSUKRJRIBKE-UHFFFAOYSA-N	297.890	1.753	5	40	CDBB	
Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2ccco2)o1	3655878	JTKASYHWDVCJNT-UHFFFAOYSA-N	294.252	1.518	5	40	CDBB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	363107	VMFSQYFNNBSXEW-LLVKDONJSA-N	291.263	1.396	5	40	CDBB	
Cc1nn(CC(=O)NCc2ccco2)c(C)c1[N+](=O)[O-]	343345	FSUNZGBUQJVTKZ-UHFFFAOYSA-N	278.268	1.318	5	40	CDBB	
CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	46901277	GDWCZBNXRFVQCF-GHMZBOCLSA-N	292.291	1.429	5	40	CDBB	
C[C@@H]1C[C@H]1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1	10890387	NFFXIVXSFWSMCM-BXKDBHETSA-N	292.291	1.757	5	40	CDBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1	5054568	WTDJBNVJOSOZEY-UHFFFAOYSA-N	292.274	1.916	5	40	CDBB	
Nc1nc(NC2CCCCC2)nc(NCCO)c1[N+](=O)[O-]	6238027	CTRHUUNEYRAHMM-UHFFFAOYSA-N	296.331	1.116	5	40	CDBB	
Cc1nc(N2CCCC[C@@H]2CNC(N)=O)ccc1[N+](=O)[O-]	90138445	OAPYBVIAZJQDAY-SNVBAGLBSA-N	293.327	1.325	5	40	CDBB	
CN(CC(=O)O)Cc1cc([N+](=O)[O-])ccc1Cl	225441995	ZJDNEONJRLYRMQ-UHFFFAOYSA-N	258.661	1.765	5	40	CDBB	
O=c1[nH]c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2[nH]ncc12	5530895	REKGIAAPCPCUOV-ZZXKWVIFSA-N	283.247	1.725	5	40	CDBB	
COC[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	32804246	DYZVOBPZYAUDRF-VIFPVBQESA-N	288.325	1.049	5	40	CDBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ncc([N+](=O)[O-])s1)[C@H]1C=C[C@H]2C1	100487914	DYDUEZDUGQXVHR-XRRXOLGASA-N	291.288	1.363	5	40	CDBB	
CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C(C)(C)C1	97235732	DIUUDTUGQXODFQ-UHFFFAOYSA-N	293.323	1.467	5	40	CDBB	
CN(C)/C=C/c1nnnn1-c1ccc([N+](=O)[O-])cc1	55162094	NKKQLSQEOHNKDF-BQYQJAHWSA-N	260.257	1.103	5	40	CDBB	
CCOC(=O)C1=Cc2cc([N+](=O)[O-])ccc2S1(=O)=O	9614884	LEDOGCBVPYSPSU-UHFFFAOYSA-N	283.261	1.286	5	40	CDBB	
CC(C)(C)n1ncn(Cc2ccccc2[N+](=O)[O-])c1=O	97235145	JHOSBBPTRYNXID-UHFFFAOYSA-N	276.296	1.756	5	40	CDBB	
O=C(O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	60276646	DDSUIEKXBYCNFR-UHFFFAOYSA-N	258.617	1.063	5	40	CDBB	in-vitro
Cc1nn(CCC(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-]	2781216	GUACRWKIIQBWFW-JTQLQIEISA-N	280.328	1.891	5	40	CDBB	
CC1=C([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C	3124910	JJHPPFAYJBSFNS-JTQLQIEISA-N	292.251	1.799	5	40	CDBB	
Cc1nn(C)c(C(=O)N[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-]	2780947	CDIVITOWIHBMRK-PSASIEDQSA-N	280.328	1.945	5	40	CDBB	
CC([C@@H](C[N+](=O)[O-])c1ccccc1)([N+](=O)[O-])[N+](=O)[O-]	100173864	AXKKBRTYHMDETD-VIFPVBQESA-N	269.213	1.317	5	40	CDBB	
COC[C@@H](C)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-]	28802084	KYOWDGBBXWPIJQ-SECBINFHSA-N	298.295	1.133	5	40	CDBB	
O=[N+]([O-])c1nc(Br)n(Cc2ccccc2)n1	9142810	APQDJMZOMFOWQX-UHFFFAOYSA-N	283.085	1.997	5	40	CDBB	
CC(C)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	3888078	KFKCKBPFUJOIQG-UHFFFAOYSA-N	278.717	1.935	5	40	CDBB	
CCN(CCCn1cnc([N+](=O)[O-])n1)CC(F)(F)F	96010411	DEQSZHWVOAQSLT-UHFFFAOYSA-N	281.238	1.461	5	40	CDBB	
CCOC[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1	193812746	VBFJFMRFSMZFBT-LLVKDONJSA-N	292.295	1.251	5	40	CDBB	
Cc1cccc(N2CCC[C@H](CC(N)=O)C2)c1[N+](=O)[O-]	225459455	IFTYKYQFKADIEF-LLVKDONJSA-N	277.324	1.995	5	40	CDBB	
CCS(=O)(=O)[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1	96510159	YSZZAYWGIOQMDC-MNOVXSKESA-N	255.295	1.885	5	40	CDBB	
CCOc1ccc(NC(=O)COC(C)=O)c([N+](=O)[O-])c1	4979513	AUWBYAUDHUCCRQ-UHFFFAOYSA-N	282.252	1.495	5	40	CDBB	
COc1ccc(C(=O)CC[N+](C)(C)C)cc1OC	500160	WZTKXIRTEBHVHN-UHFFFAOYSA-N	252.334	1.983	5	40	CDBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)O	4218999	YSOQJVVFOIIKBC-LURJTMIESA-N	288.281	1.124	5	40	CDBB	in-vitro
C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)S1	95981599	DXKUXXYUYWZVBW-RKDXNWHRSA-N	293.352	1.968	5	40	CDBB	
O=[N+]([O-])c1cc(S(=O)(=O)O)c2cccnc2c1O	31750580	QSIZKIGPOVCSFN-UHFFFAOYSA-N	270.222	1.095	5	40	CDBB	
Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	36284007	PVHBYROCESGMQU-UHFFFAOYSA-N	293.304	1.978	5	40	CDBB	
O=[N+]([O-])c1ccccc1N1CC[C@@H](CN2CCOCC2)C1	78404177	XUXAQUOFMIDYMB-ZDUSSCGKSA-N	291.351	1.753	5	40	CDBB	
CC(C)[C@H](N)c1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1	95534772	HFMPIUWPCCFICY-LBPRGKRZSA-N	275.312	1.960	5	40	CDBB	
O=c1[nH][nH]c(=O)c2c(O)c3ccc(Cl)cc3nc12	5566	QZWYCFYTWWTGQD-UHFFFAOYSA-N	263.640	1.124	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)C(F)F	604221561	KFROWYDPONLENZ-UHFFFAOYSA-N	267.209	1.600	5	40	CDBB	
O=[N+]([O-])c1ccn(CCS(=O)(=O)c2ccccc2)n1	152234955	BDWVBBSWLRAXDC-UHFFFAOYSA-N	281.293	1.265	5	40	CDBB	
O=C(NCC(F)(F)F)c1ccc([N+](=O)[O-])s1	5172499	PXDUMYJJONUCEX-UHFFFAOYSA-N	254.189	1.948	5	40	CDBB	
Cc1ccc(S(=O)(=O)n2cc([N+](=O)[O-])nc2C)cc1C	234744	SNPBMXKAOCYLQG-UHFFFAOYSA-N	295.320	1.954	5	40	CDBB	
O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1C[C@H]1[N+](=O)[O-]	47250198	XPAAFYVFCBXOLE-NXEZZACHSA-N	278.264	1.452	5	40	CDBB	
C[C@H]1CCCN(c2nc(N(C)C)nc(N)c2[N+](=O)[O-])C1	5176689	WTMQHMYCQFCCQX-QMMMGPOBSA-N	280.332	1.269	5	40	CDBB	
NS(=O)(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1	75051131	YKPIUGIYZVGTDG-UHFFFAOYSA-N	299.352	1.100	5	40	CDBB	
CC(C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	45726795	DYEVTGKLDGTXHC-UHFFFAOYSA-N	250.302	1.520	5	40	CDBB	
CCc1ccc(C(=O)N[C@@H](C(N)=O)C(C)C)cc1[N+](=O)[O-]	78971364	ROCNOQRUDBCHLB-GFCCVEGCSA-N	293.323	1.397	5	40	CDBB	
O=[N+]([O-])c1cnn(CCn2ccc(C(F)(F)F)n2)c1	12394957	JPHSBINPTBPZEF-UHFFFAOYSA-N	275.190	1.707	5	40	CDBB	
O=C(O)c1cccc([N+](=O)[O-])c1Nc1cnccn1	22113100	WTIOLEFTRZJVRN-UHFFFAOYSA-N	260.209	1.827	5	40	CDBB	
O=C(N[C@@H]1CCCCNC1=O)c1csc([N+](=O)[O-])c1	48702536	DJXBDJMPEBYNMJ-MRVPVSSYSA-N	283.309	1.055	5	40	CDBB	
CN(C)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	4679110	ISIQCMCOHYSMMQ-UHFFFAOYSA-N	250.302	1.070	5	40	CDBB	
CC(=O)N[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C	5704483	GBRJHGFLXATKRE-LBPRGKRZSA-N	279.296	1.694	5	40	CDBB	
NC(=O)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1	6831557	XMSVFGRBSHYYAY-SECBINFHSA-N	265.269	1.285	5	40	CDBB	
CC(=O)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C	7653430	SJRFYMKQEKFHMB-UHFFFAOYSA-N	265.269	1.368	5	40	CDBB	
COC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1	78407126	MSKPIOXMEDNIOE-MRVPVSSYSA-N	283.259	1.987	5	40	CDBB	
Cc1c(NC(=O)NCC(C)(CO)CO)cccc1[N+](=O)[O-]	585140057	PQNBYZNENJIKIK-UHFFFAOYSA-N	297.311	1.016	5	40	CDBB	
CN(C)C[C@@](C)(O)CNc1ccc(Cl)cc1[N+](=O)[O-]	89901376	JHUJLCUUDAPOHE-LBPRGKRZSA-N	287.747	1.973	5	40	CDBB	
Cc1cc(N2CCOCC2)c2nonc2c1[N+](=O)[O-]	4894753	ZATSNFLUVAWPKF-UHFFFAOYSA-N	264.241	1.276	5	40	CDBB	
CN(C)c1ccc(C2OC(=O)CC(=O)O2)cc1[N+](=O)[O-]	59488734	ZKPBTDMKOYQCEL-UHFFFAOYSA-N	280.236	1.150	5	40	CDBB	
C=Cn1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1	10119601	FMJNPKTUASFTAS-UHFFFAOYSA-N	294.658	1.588	5	40	CDBB	
CN1CCC(NC(=O)Nc2ccccc2[N+](=O)[O-])CC1	12795877	JTARHOVGCHEXGE-UHFFFAOYSA-N	278.312	1.811	5	40	CDBB	
CNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1Cl	32741516	WFWUMMQNEFMBAU-LURJTMIESA-N	258.661	1.762	5	40	CDBB	
CC(C)n1nnnc1Sc1ccc([N+](=O)[O-])nc1	69973585	QHWSAATXJUMTQH-UHFFFAOYSA-N	266.286	1.708	5	40	CDBB	
N=C(N)c1ccc2oc3ccc(C(=N)N)cc3c(=O)c2c1	5887069	WJWXOXDAROMZBZ-UHFFFAOYSA-N	280.287	1.514	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C	16092724	DZHSPUKOVHGZTO-UHFFFAOYSA-N	272.326	1.838	5	40	CDBB	
CC[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	9726272	OOTRSVCTNNMIIC-QMMMGPOBSA-N	288.325	1.680	5	40	CDBB	
CCC[C@H]1C[C@@H]1Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O	96501100	OVAZUXVABJGVNK-WPRPVWTQSA-N	299.352	1.843	5	40	CDBB	
CNC(=O)c1cccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c1	95412975	DBOCUVCLVIZFST-UHFFFAOYSA-N	287.275	1.164	5	40	CDBB	
CC[C@H](C)[C@H](Nc1ncc(C)cc1[N+](=O)[O-])C(N)=O	95975042	UZQWJUTWMCTEAT-WPRPVWTQSA-N	266.301	1.610	5	40	CDBB	
COC(=O)N1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1	78406712	TZYISSKNCUYDCY-VIFPVBQESA-N	283.259	1.987	5	40	CDBB	
N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	38050123	DFQDKUQFMHCQSB-NXEZZACHSA-N	299.352	1.143	5	40	CDBB	
O=[N+]([O-])c1ncn(Cc2nc3ccccc3s2)n1	48603006	SCSJJEGYZKZXCQ-UHFFFAOYSA-N	261.266	1.844	5	40	CDBB	
CCCN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)O	38021967	SBLBSYSHWMDJTH-UHFFFAOYSA-N	266.297	1.934	5	40	CDBB	
CC1(C)CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1	78355129	UZKAHTJFTWFIAY-UHFFFAOYSA-N	294.307	1.611	5	40	CDBB	
COCc1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn12	6760647	JKDAVWVUNOUMCX-UHFFFAOYSA-N	291.292	1.907	5	40	CDBB	
CS(=O)(=O)CCSc1ccc([N+](=O)[O-])cc1F	69705490	GFPVWSGIHSWBKB-UHFFFAOYSA-N	279.314	1.871	5	40	CDBB	
O=C(O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1	13079634	XPWZWQDPXCVKOL-UHFFFAOYSA-N	266.253	1.254	5	40	CDBB	
CC1(C)COCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	4108417	YRKZWCORHLFQSB-UHFFFAOYSA-N	286.309	1.352	5	40	CDBB	
C[C@H](CNCc1cccc([N+](=O)[O-])c1)[S@@](C)=O	95436248	BCRLWBAEDAPCGP-XLFHBGCDSA-N	256.327	1.451	5	40	CDBB	
O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@@H]2CCCC[C@H]2C1	95979025	PBFZZZCOSZOJDG-IUCAKERBSA-N	264.285	1.580	5	40	CDBB	
Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)O	5943479	HIWLQROJZILIFR-UHFFFAOYSA-N	280.265	1.573	5	40	CDBB	
CC(=O)Oc1cc(=O)oc(-c2ccc([N+](=O)[O-])cc2)n1	5378827	KQMMIJWDBSEASM-UHFFFAOYSA-N	276.204	1.535	5	40	CDBB	
Cc1cccc(C(=O)NC2=NCCS2)c1[N+](=O)[O-]	24929024	BXOHQMQPKJWSTK-UHFFFAOYSA-N	265.294	1.736	5	40	CDBB	
Nc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccncc1	4299960	IUDXSMCLFRDNIB-UHFFFAOYSA-N	286.291	1.545	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])cn(C/C=C/c2ccccc2)c1=O	12735711	YESOHTLJHITMHO-QPJJXVBHSA-N	299.286	1.569	5	40	CDBB	
O=C(O)CCCn1cc([N+](=O)[O-])c(OCC(F)F)n1	408716281	KVUWGBOPJJFONI-UHFFFAOYSA-N	279.199	1.300	5	40	CDBB	
CCN(CC(=O)NC1CC1)Cc1cccc([N+](=O)[O-])c1	36395369	TYMMJQVSHAZARM-UHFFFAOYSA-N	277.324	1.695	5	40	CDBB	
O=C(O)c1conc1[C@@H](O)c1ccc([N+](=O)[O-])cc1	504747126	NBUAPIAFWOUWIP-JTQLQIEISA-N	264.193	1.363	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CCc1nnc2n1CCCCC2	72334164	MDFJANIOHLYVOT-UHFFFAOYSA-N	290.327	1.660	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(Oc2cccc(C(=O)O)c2)n1	95098561	RVXDNNPDEPYOAA-UHFFFAOYSA-N	263.209	1.819	5	40	CDBB	
Cc1c(C(=O)NCCc2nccn2C)cccc1[N+](=O)[O-]	58014571	QFPZNOJRMKCJQJ-UHFFFAOYSA-N	288.307	1.609	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOCC1	5684493	CWSBQTXASXWQMY-UHFFFAOYSA-N	265.269	1.767	5	40	CDBB	
O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@H]1[N+](=O)[O-]	106526133	IPIPJZOAFRXSDW-NWANDNLSSA-N	297.314	1.952	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCOCC2)cc1-n1ccnc1	10006602	SFZRZYUIGSVIEE-UHFFFAOYSA-N	274.280	1.617	5	40	CDBB	
CCN(CC)CCCNc1ncnc(N)c1[N+](=O)[O-]	3912506	SXKFWFMYYYHTMY-UHFFFAOYSA-N	268.321	1.111	5	40	CDBB	
C[C@@H]1CC[C@H](C(N)=O)CN1Cc1csc([N+](=O)[O-])c1	69623471	APMDQOZLQKPZEZ-SCZZXKLOSA-N	283.353	1.742	5	40	CDBB	
Cc1ccnc(NCCCO[C@@H]2CCOC2)c1[N+](=O)[O-]	89701879	MJWBFHBLFLHMJE-LLVKDONJSA-N	281.312	1.906	5	40	CDBB	
Cn1ccnc1N1CCN(c2ncccc2[N+](=O)[O-])CC1	77209559	HJYJJKPTFZOYER-UHFFFAOYSA-N	288.311	1.050	5	40	CDBB	
Cc1nn(C)c(NCCCOC2CCOCC2)c1[N+](=O)[O-]	78338908	XRMFZJDGIWDTMO-UHFFFAOYSA-N	298.343	1.634	5	40	CDBB	
CC[C@H]1CCCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	195531483	WSCOTZVHVRZXJG-GXTWGEPZSA-N	296.371	1.807	5	40	CDBB	
C[C@H]([C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96519321	ZWGFDFMZLMZSMT-XCBNKYQSSA-N	259.283	1.061	5	40	CDBB	
O=[N+]([O-])c1cc(Br)c(CO)cc1F	168838267	LJHOYMACUXNPOF-UHFFFAOYSA-N	250.023	1.989	5	40	CDBB	
CCOC[C@@H](O)COc1cc(C)ccc1[N+](=O)[O-]	193824650	WTMXASIPYPGGSD-SNVBAGLBSA-N	255.270	1.679	5	40	CDBB	
Cc1cs/c(=N\S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]1	3159199	AFYZOKKPCCRBSL-UHFFFAOYSA-N	299.333	1.582	5	40	CDBB	
N=C(N)SCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	239563199	XVPWMFYSWUSPDS-UHFFFAOYSA-N	256.243	1.630	5	40	CDBB	
C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1C[C@@H]2CC[C@@H]1C2	100562721	ONZJXTGMENCZSV-ZDCRXTMVSA-N	293.327	1.127	5	40	CDBB	
CC[N+](C)(CC)CCNC(=O)COc1ccccc1O	2700240	FIMKYFWTKVFNSG-UHFFFAOYSA-O	281.376	1.374	5	40	CDBB	
CC[C@@H]1CN1P1(=O)OCC(C)([N+](=O)[O-])CO1	4945857	LJHMAFMBLYFORD-VVQKCSMXSA-N	250.191	1.271	5	40	CDBB	
Cc1nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n[nH]1	69737565	MKOAQMPOOITJQG-AATRIKPKSA-N	273.252	1.673	5	40	CDBB	
C[N+]1(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCCCC1	100793823	KACLEKGODJDZPY-XDQVBPFNSA-N	275.372	1.382	5	40	CDBB	
CCS(=O)(=O)C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1	71904596	KFMDLHGKKCLOBK-MRVPVSSYSA-N	273.314	1.225	5	40	CDBB	
CCN1CCN(c2cc(N)c(C)cc2[N+](=O)[O-])CC1	226262375	OKSNWXUJCDZAFU-UHFFFAOYSA-N	264.329	1.627	5	40	CDBB	
CCS(=O)(=O)[C@@H](C)[C@@H](O)c1ccc([N+](=O)[O-])cc1	96519390	KBRXMDGLGJWHBS-GZMMTYOYSA-N	273.310	1.451	5	40	CDBB	
CCSC[C@H](C)N(C)c1ncc([N+](=O)[O-])c(N)n1	74770510	XAPGRXGDTWTONO-ZETCQYMHSA-N	271.346	1.545	5	40	CDBB	
CCCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCNC1	71330188	RHXFFIUAOOVKOF-VIFPVBQESA-N	283.353	1.870	5	40	CDBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C1	100500155	SHPJSIUHFNHXFW-VDUILEQBSA-N	284.271	1.906	5	40	CDBB	
O=C(NCc1cccnc1)c1n[nH]c2ccc([N+](=O)[O-])cc12	32152823	POIHUVJRBNJULA-UHFFFAOYSA-N	297.274	1.796	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(-n2ccnc2)c([N+](=O)[O-])c1	37866359	SDDIPIYYPSFJAV-UHFFFAOYSA-N	292.207	1.475	5	40	CDBB	
CN1CCN(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	4628414	JBAKBBVQGYTERB-UHFFFAOYSA-N	298.730	1.140	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)C1	75581983	NQAIGHWSBFAXKD-JTQLQIEISA-N	293.323	1.884	5	40	CDBB	
Cc1cccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)n1	97109183	VMIUEWLFOWOYEK-UHFFFAOYSA-N	290.283	1.316	5	40	CDBB	
CN(CC1CCC1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O	96501073	AAJGOTYXCSJZNF-UHFFFAOYSA-N	299.352	1.479	5	40	CDBB	
O=[N+]([O-])c1ncn(Cc2cccc3cccnc23)n1	48374103	WGBYXGKASOWVEO-UHFFFAOYSA-N	255.237	1.783	5	40	CDBB	
CNc1c([N+](=O)[O-])cc2[nH]c(C)nc2c1[N+](=O)[O-]	5385794	CYPSKGWTCANLGY-UHFFFAOYSA-N	251.202	1.729	5	40	CDBB	
O=c1[nH]c(/C=C/c2ccc(O)cc2)nc(O)c1[N+](=O)[O-]	17723485	NWHGFUWNZRJJDN-ZZXKWVIFSA-N	275.220	1.260	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=CCCC2)cc1	2555417	QXNMCIQFPVFNLG-UHFFFAOYSA-N	282.321	1.936	5	40	CDBB	
Cc1c(NC(=O)CNCCCN(C)C)cccc1[N+](=O)[O-]	2649498	VNCHLVIFGAAAFX-UHFFFAOYSA-N	294.355	1.383	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1	23709349	ULNAUVWBTZSNEF-SECBINFHSA-N	267.241	1.464	5	40	CDBB	
O=C1OCC[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@H]12	108362696	VQZXPJYMFVBSBL-KCJUWKMLSA-N	263.253	1.132	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cccn1	58177793	XRNOJNCQGXPZMO-UHFFFAOYSA-N	291.263	1.657	5	40	CDBB	
Cn1cncc1CCNc1nc2ccccn2c1[N+](=O)[O-]	97108364	NDDSGQYUYGIRHV-UHFFFAOYSA-N	286.295	1.631	5	40	CDBB	
O=[N+]([O-])c1c(N[C@@H]2CC[S@](=O)C2)nc2sccn12	76093002	DXAXYWHSKHMNCC-FWCARGHBSA-N	286.338	1.237	5	40	CDBB	
O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccccn1	67704071	XCOPFOKISMDPHD-UHFFFAOYSA-N	286.291	1.718	5	40	CDBB	
CC(=O)c1ccc(Oc2nc([N+](=O)[O-])nn2C)cc1	1429974	BJGZJMXMZQCQCL-UHFFFAOYSA-N	262.225	1.718	5	40	CDBB	
O=C1CCCN1C(=O)COc1ccc(Cl)cc1[N+](=O)[O-]	31707981	ZXSBDWZORWJYLP-UHFFFAOYSA-N	298.682	1.776	5	40	CDBB	
Cc1nnc(Sc2nc3ccccn3c2[N+](=O)[O-])n1N	22195629	PWTHHBHOENZGOW-UHFFFAOYSA-N	291.296	1.007	5	40	CDBB	
CC(=O)NCCNc1cc(C)nc2ccc([N+](=O)[O-])cc12	97083750	UUEJGKARFWXQKE-UHFFFAOYSA-N	288.307	1.999	5	40	CDBB	
CN1CC[C@@H](N2Cc3ccc([N+](=O)[O-])cc3C2)C1=O	72764318	WPXHXBOFNPAOHP-GFCCVEGCSA-N	261.281	1.141	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCOCC2)c(-n2cnnc2)c1	70461804	JHTHSNPISOEOLD-UHFFFAOYSA-N	275.268	1.012	5	40	CDBB	
CC(C)[C@H](N)c1n[nH]c(COc2cccc([N+](=O)[O-])c2)n1	95534774	FLYVGLRWAQREQR-LBPRGKRZSA-N	291.311	1.948	5	40	CDBB	
CCc1nc(CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1	67770825	KORPEVUPHIELHL-RKDXNWHRSA-N	269.326	1.329	5	40	CDBB	
COc1ccccc1NC1=C([N+](=O)[O-])CS(=O)(=O)C1	5335798	ULZQORKBDVDXPP-UHFFFAOYSA-N	284.293	1.024	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)C(=O)O	42701930	DXLTXNVGZVZKCW-SECBINFHSA-N	280.280	1.696	5	40	CDBB	
O=C(O)C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1	50291346	CHCULGFIGXDJCB-UHFFFAOYSA-N	278.264	1.118	5	40	CDBB	
CCOC(=O)c1cc(=O)c2cccc([N+](=O)[O-])c2o1	34188982	GECOLABOBGRIGY-UHFFFAOYSA-N	263.205	1.878	5	40	CDBB	
O=C(O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	1513114	CHUZVRRDYRHNAO-UHFFFAOYSA-N	258.617	1.063	5	40	CDBB	in-vitro
CN1CCN(C(=S)Nc2ccccc2[N+](=O)[O-])CC1	17008297	PWPDPIMTWUPYOY-UHFFFAOYSA-N	280.353	1.539	5	40	CDBB	
Nc1nc(Cl)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-]	5119895	GGBHPKCPKKGDIA-RXMQYKEDSA-N	273.680	1.211	5	40	CDBB	
O=[N+]([O-])c1cccc(F)c1CSC[C@H](O)CO	89768125	HYCTZEBIXKNTKD-SSDOTTSWSA-N	261.274	1.320	5	40	CDBB	
O=c1[nH]c(O)nc(/C=C\c2ccc(O)cc2)c1[N+](=O)[O-]	33448895	IXRBZNCTCYNHKP-UTCJRWHESA-N	275.220	1.260	5	40	CDBB	
Cc1nn(CN(C)CC(=O)NC(C)(C)C)c(C)c1[N+](=O)[O-]	57315194	CMAJVZUUUKLFHB-UHFFFAOYSA-N	297.359	1.212	5	40	CDBB	
Nc1nc(N[C@@H]2COc3ccccc32)ncc1[N+](=O)[O-]	84579218	MKFDVXPEMPPRJM-MRVPVSSYSA-N	273.252	1.513	5	40	CDBB	
CS(=O)(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-]	5099945	WWURBRWOOZAKKY-UHFFFAOYSA-N	293.732	1.209	5	40	CDBB	
CON(C)C(=O)c1ccc([N+](=O)[O-])cc1Br	159252399	VCOAPCAKWAUNHM-UHFFFAOYSA-N	289.085	1.991	5	40	CDBB	
CCCNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-]	5251384	OKPGWPNUZQPPPY-UHFFFAOYSA-N	251.242	1.060	5	40	CDBB	
CCOC(=O)[C@H]1C=Nc2c(cccc2[N+](=O)[O-])C1=O	100469458	BBZKFRDLBJHFMD-QMMMGPOBSA-N	262.221	1.673	5	40	CDBB	
CCOC(=O)c1ccc(NCn2cnc([N+](=O)[O-])n2)cc1	45652	WLHWAROPPKVONV-UHFFFAOYSA-N	291.267	1.433	5	40	CDBB	
Cc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])no1	70038974	GSJVIJJGHXRYRN-UHFFFAOYSA-N	290.279	1.966	5	40	CDBB	
CC(C)[C@](C)(NC(=O)c1ccccc1[N+](=O)[O-])C(N)=O	3850928	AZWLVOSUAYAWGW-ZDUSSCGKSA-N	279.296	1.225	5	40	CDBB	
CC(C)(C)OC(=O)Cn1cccc([N+](=O)[O-])c1=O	5901477	DWWAUQIESJGSDR-UHFFFAOYSA-N	254.242	1.098	5	40	CDBB	
O=[N+]([O-])c1cccc(OS(=O)(=O)N2CCCCC2)c1	15415840	JIZWSMGKUGWIQT-UHFFFAOYSA-N	286.309	1.704	5	40	CDBB	
NC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1	77309270	OVNOHCLWZGXPOZ-QMMMGPOBSA-N	295.270	1.071	5	40	CDBB	
CCCN1C(=O)N/C(=C/c2ccccc2[N+](=O)[O-])C1=O	409234618	MADQDZSWXZRASD-CSKARUKUSA-N	275.264	1.898	5	40	CDBB	
CCOC(=O)CC(=O)Nc1ccccc1[N+](=O)[O-]	72105919	BXIINKFGAIBTLJ-UHFFFAOYSA-N	252.226	1.487	5	40	CDBB	
Cc1noc(CN2CCc3ncc([N+](=O)[O-])cc3C2)n1	97234967	CMJATSVHKALROJ-UHFFFAOYSA-N	275.268	1.240	5	40	CDBB	
O=C(NCc1ccc(-c2ccn[nH]2)cc1)[C@H]1C[C@@H]1[N+](=O)[O-]	84402989	WNSHMXRUSXDLTK-AAEUAGOBSA-N	286.291	1.358	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](O)C1	29244062	XBNPEJBSXJFMGM-SNVBAGLBSA-N	280.280	1.343	5	40	CDBB	
O=C(NCc1ccccc1[N+](=O)[O-])NC1CCC(O)CC1	42961419	FLDPRHMGWMSYLP-UHFFFAOYSA-N	293.323	1.698	5	40	CDBB	
O=C1C[C@H]([C@H]2CCCCN2c2ncccc2[N+](=O)[O-])CN1	108147490	XEHTUGNHZUCQHA-WDEREUQCSA-N	290.323	1.485	5	40	CDBB	
CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	48805967	RFVGVTONLPNIGA-WPRPVWTQSA-N	297.698	1.303	5	40	CDBB	
O=[N+]([O-])c1cnn(CCCS(=O)(=O)c2ccccc2)c1	63536818	XNZCQTNMFPJRRU-UHFFFAOYSA-N	295.320	1.655	5	40	CDBB	
CNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1	71894527	ANIFKQUYHJQJJY-SNVBAGLBSA-N	263.297	1.557	5	40	CDBB	
CC[C@H](C(=O)O)n1cc([N+](=O)[O-])c(OC(C)C)n1	408715983	HNPKOOXNEFDWIG-SSDOTTSWSA-N	257.246	1.614	5	40	CDBB	
CCOC(=O)[C@H](CC)Oc1ccc([N+](=O)[O-])c(N)n1	19419600	RZDDVOGZMNQYHQ-QMMMGPOBSA-N	269.257	1.293	5	40	CDBB	
CONC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	9117663	NQPITFCICGSALR-UHFFFAOYSA-N	251.242	1.460	5	40	CDBB	
CCC1([N+](=O)[O-])COP(=O)(N2C[C@H]2C)OC1	4990817	AIGOQINEWULJSA-VVQKCSMXSA-N	250.191	1.271	5	40	CDBB	
CCn1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1	557531	ANQYJYAOFYKQJB-UHFFFAOYSA-N	276.256	1.162	5	40	CDBB	
CCN(CC)[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O	107843938	PWJPXQUHAZUZRK-LBPRGKRZSA-N	266.297	1.932	5	40	CDBB	
Cc1ccnc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)c1	37867799	VHDHRIKGIBOSNK-VIFPVBQESA-N	275.268	1.694	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)NC(=O)Nc1ccccc1	78889791	GKKJMJWAXPWLPH-UHFFFAOYSA-N	289.251	1.140	5	40	CDBB	
CC(C)(C(=O)NC(C1CC1)C1CC1)n1cc([N+](=O)[O-])cn1	96405849	APFSNIMUUJKWOH-UHFFFAOYSA-N	292.339	1.831	5	40	CDBB	
CCOC(=O)[C@@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C	78988261	NUPPYSGXPAPFOZ-JTQLQIEISA-N	296.327	1.246	5	40	CDBB	
Cc1nc([N+](=O)[O-])c2n1CC(c1ccccc1)=NN2	4730267	LMYGWRAXEXAVCH-UHFFFAOYSA-N	257.253	1.930	5	40	CDBB	
CCc1nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sc1C	44702006	GDIWJXNHXQOJCU-HTRCEHHLSA-N	255.299	1.618	5	40	CDBB	
COc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1OC	6289791	SQWZEXSBSOEVAU-UHFFFAOYSA-N	292.251	1.587	5	40	CDBB	
Cc1c(Cl)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	7668169	ZFOQSWIUBPNRMO-UHFFFAOYSA-N	250.663	1.204	5	40	CDBB	
COCCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	20462686	WWMPCBPMDWFZNI-UHFFFAOYSA-N	288.325	1.051	5	40	CDBB	
COCc1noc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1	78774837	PMKIPZFVXXAFAL-UHFFFAOYSA-N	293.235	1.578	5	40	CDBB	
COC(=O)[C@@H]1C[C@H](Oc2ccc(C)cc2[N+](=O)[O-])CN1	42783185	WADFHCCARYOPQD-UWVGGRQHSA-N	280.280	1.186	5	40	CDBB	
CC[C@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	60826	JADTWIRAJPYXRZ-QMMMGPOBSA-N	280.280	1.910	5	40	CDBB	
Cc1nn(C)c(NCC(C)(C)CN(C)C)c1[N+](=O)[O-]	36749246	SSNAUOMMJULLHG-UHFFFAOYSA-N	269.349	1.636	5	40	CDBB	
C[C@H]1CCCCN1c1ccc(-n2cnnn2)cc1[N+](=O)[O-]	408975982	DHRKLIIKXNYSGO-JTQLQIEISA-N	288.311	1.949	5	40	CDBB	
COC(=O)c1cc(F)ccc1Cn1cnc([N+](=O)[O-])n1	69814483	BCAPFJRMNQKWKS-UHFFFAOYSA-N	280.215	1.160	5	40	CDBB	
Cn1nc([N+](=O)[O-])nc1Oc1ccc2c(c1)OCO2	4511964	JPFYJENBZNJCOY-UHFFFAOYSA-N	264.197	1.244	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CO)C1	12776725	XJYSHNPGMYKNTD-JTQLQIEISA-N	279.296	1.831	5	40	CDBB	
CCc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O)CC1=O	226314648	CEKBZEQHAMMOTD-SECBINFHSA-N	278.264	1.595	5	40	CDBB	
CCCNC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]	3509589	ZAUCIAYUQJNFEO-UHFFFAOYSA-N	296.279	1.043	5	40	CDBB	
C[C@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1	2779030	BZFZZOYKJQYXBW-JTQLQIEISA-N	266.301	1.582	5	40	CDBB	
Cc1cnn(C(=O)CCn2cc([N+](=O)[O-])c(C)n2)c1	2781714	WBXBKFGHBKQCHO-UHFFFAOYSA-N	263.257	1.335	5	40	CDBB	
CCSCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	78791828	PEIRRUHSVGSEEG-UHFFFAOYSA-N	280.305	1.944	5	40	CDBB	
O=C(NCC1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O	12783457	UZDZWDIVMFNAKA-UHFFFAOYSA-N	279.296	1.593	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N(Cl)Cl)cc1	76495033	FUBGAUTWSFKQRI-UHFFFAOYSA-N	271.081	1.893	5	40	CDBB	
C[C@@H](C(=O)O)n1nc(C(F)(F)F)cc1[N+](=O)[O-]	35655539	ZXUZRYLZKLRRBY-VKHMYHEASA-N	253.136	1.456	5	40	CDBB	
O=C1C[C@H](C(=O)O)[C@H](c2ccc([N+](=O)[O-])cc2)O1	85394885	XKPHQFZUQWQCRO-WPRPVWTQSA-N	251.194	1.284	5	40	CDBB	
COCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	148281	IMLZKWSEXPUPJJ-UHFFFAOYSA-N	267.266	1.789	5	40	CDBB	
O=C(O)C1=C[C@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1	102243564	JSUTYRCFTLEARS-SNVBAGLBSA-N	287.235	1.170	5	40	CDBB	
CNc1ccc(C(=O)/N=c2/sccn2C)cc1[N+](=O)[O-]	101077183	CZUGDTNLKNSUDU-WYMLVPIESA-N	292.320	1.778	5	40	CDBB	
CN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	12824386	ZSGZTHZZPCMXAR-UHFFFAOYSA-N	293.304	1.617	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C1CC1)C1CC1	49427854	VYWKVDVPTZQYFQ-UHFFFAOYSA-N	278.312	1.405	5	40	CDBB	
C[C@@H](CO)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1	89901484	WWUZZPYENJNGJS-QMMMGPOBSA-N	253.258	1.439	5	40	CDBB	
Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(O)c1	95977954	YIUPOIUXLPWMIK-UHFFFAOYSA-N	262.225	1.584	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCCOC2CCOCC2)nc1	78338627	HVKGBDFUTJPLPE-UHFFFAOYSA-N	281.312	1.987	5	40	CDBB	
O=[N+]([O-])c1ccc(OCC[C@H]2CCCNC2)nc1	42774149	NNVRDYLKMBJQFN-SNVBAGLBSA-N	251.286	1.758	5	40	CDBB	
CCO[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C12CCC2	96424089	KUCJPEXVTMLFRA-ZJUUUORDSA-N	293.327	1.727	5	40	CDBB	
COc1cc(N2CCC(CN)CC2)ccc1[N+](=O)[O-]	95071583	NTMUEXGHBCTBGJ-UHFFFAOYSA-N	265.313	1.779	5	40	CDBB	
COCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1	5112175	JQSRUODXKBJHHV-UHFFFAOYSA-N	296.331	1.016	5	40	CDBB	
O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1	46227890	PORJZNOEXKDOPN-UHFFFAOYSA-N	299.714	1.519	5	40	CDBB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2C[N+](=O)[O-]	1458808	MWGTVTAPGQJFOH-MRVPVSSYSA-N	253.210	1.192	5	40	CDBB	
CCC(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1	20529104	AXODLITYTXXLSV-UHFFFAOYSA-N	269.213	1.860	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncnn1C	89587587	FIWQPYTXLJMEHI-UHFFFAOYSA-N	261.241	1.284	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1ccco1	89794428	CIVXXBQGJGVSKB-LBPRGKRZSA-N	290.275	1.580	5	40	CDBB	
O=C1c2ccccc2C(=O)N1CCn1nccc1[N+](=O)[O-]	47169018	GKNSQOZPRIYPDE-UHFFFAOYSA-N	286.247	1.088	5	40	CDBB	
O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCNC1=O	40554318	FGVOGMVPBVQAEV-SNVBAGLBSA-N	292.295	1.385	5	40	CDBB	
CC1([N+](=O)[O-])COP(=O)(N2CCCCC2)OC1	1609692	REJUZDSTUNNRAN-UHFFFAOYSA-N	264.218	1.663	5	40	CDBB	
Cc1csc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n1	6413648	HOTQMLKOYQFXTL-UHFFFAOYSA-N	253.243	1.335	5	40	CDBB	
CC[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1	84734210	RBXZPATVZOOQDI-VXGBXAGGSA-N	291.307	1.441	5	40	CDBB	
Cc1ccc(C)c(OC[C@H](O)Cn2cnc([N+](=O)[O-])n2)c1	95438930	ZVENXQHTUBPMKD-LLVKDONJSA-N	292.295	1.243	5	40	CDBB	
CC(C)N(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)N	79420954	NNGPMDBHQAYAQQ-JTQLQIEISA-N	265.313	1.679	5	40	CDBB	
COc1cccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1	33247352	SMEBOTMJUPTQAR-WAYWQWQTSA-N	289.247	1.563	5	40	CDBB	
CN(Cc1cccn1C)C(=O)c1cc([N+](=O)[O-])ccc1N	195566548	HNLXPPYRMNCALS-UHFFFAOYSA-N	288.307	1.788	5	40	CDBB	
CCc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1	197099	RMUFPGFVQHKGEG-UHFFFAOYSA-N	275.268	1.387	5	40	CDBB	
CCOC(=O)[C@@H]1Oc2ccc([N+](=O)[O-])c3c2[C@@]1(O)CCC3	1617856	AIZMJZINKYFYRF-JSGCOSHPSA-N	293.275	1.443	5	40	CDBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C)C1	12558528	SZIOENCTBHJFJZ-SECBINFHSA-N	279.296	1.497	5	40	CDBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)C1=COCCO1	3463530	LLTCHGNNVLCEHE-UHFFFAOYSA-N	265.221	1.526	5	40	CDBB	
O=c1c2ccccc2nnn1COc1ccccc1[N+](=O)[O-]	7169297	ODVUCXOGSQRUHQ-UHFFFAOYSA-N	298.258	1.736	5	40	CDBB	
COCCCNc1ccc([N+](=O)[O-])cc1-c1nnc(N)o1	216940049	XXOLSDMATYNYEU-UHFFFAOYSA-N	293.283	1.675	5	40	CDBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC(N)=O	69567191	NTTWEEQCQWNEFW-UHFFFAOYSA-N	281.312	1.299	5	40	CDBB	
O=C1CCC[C@@H]2[C@@H]3CCC[N@+]4([O-])CCC[C@H](CN12)[C@H]34	247443859	XVPBINOPNYFXID-OOKGIHQLSA-N	264.369	1.884	5	40	CDBB	biogenic,in-vitro
COc1ccc([C@@H]2CC(=O)Nc3ncnn32)cc1[N+](=O)[O-]	6200065	CWDUZGUDTHZTSF-QMMMGPOBSA-N	289.251	1.127	5	40	CDBB	
O=C(O[C@H]1CCOC1=O)c1cc(Cl)ccc1[N+](=O)[O-]	3247515	VOHWOWJJXJSYOF-VIFPVBQESA-N	285.639	1.721	5	40	CDBB	
COC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2OC)CC1	216931764	OPCDAPHTGFPNON-UHFFFAOYSA-N	294.307	1.993	5	40	CDBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1nnn[nH]1	40566716	RJVAVNPSWKHJEM-UHFFFAOYSA-N	259.147	1.794	5	40	CDBB	
Cc1cnc(N[C@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1	95430295	FWNFFMNEVJAPSH-ZJUUUORDSA-N	278.312	1.754	5	40	CDBB	
CCOC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	45953445	CVXBHWUIGLHUAK-VIFPVBQESA-N	278.264	1.511	5	40	CDBB	
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC[N+](C)(C)C)C2=O	1694696	LVXBKXCSVKURTI-WBMJQRKESA-N	281.420	1.894	5	40	CDBB	
C[S@@](=O)c1nncn1-c1ccc([N+](=O)[O-])cc1Cl	69773406	FDCUFFMXYGPPFZ-SFHVURJKSA-N	286.700	1.566	5	40	CDBB	
CCOC(=O)[C@H](N)CSC(=O)c1ccc([N+](=O)[O-])cc1	20218994	YRDOBLDMPAKUFO-SNVBAGLBSA-N	298.320	1.359	5	40	CDBB	
CN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	12795875	GLINZGVDHZZNLZ-UHFFFAOYSA-N	278.312	1.811	5	40	CDBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1	8278993	FHNIOFMJSMYNMT-LLVKDONJSA-N	296.348	1.982	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)N1CCC1	84147846	FFYJTAJMZBZTGI-UHFFFAOYSA-N	264.281	1.823	5	40	CDBB	
CCS(=O)(=O)C[C@H](C)Nc1ccccc1[N+](=O)[O-]	71904609	GFWMYEICOVTVBV-VIFPVBQESA-N	272.326	1.830	5	40	CDBB	
Nc1nc(Nc2cnn(-c3ccccn3)c2)ncc1[N+](=O)[O-]	72292439	FOEBQFFTIGTDHU-UHFFFAOYSA-N	298.266	1.291	5	40	CDBB	
C[N+]1(CCCN2CCOCC2)C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1	25627336	XVZLAXSFVMDPLT-VRYFFGBMSA-N	277.432	1.607	5	40	CDBB	
O=[N+]([O-])C(Cl)(Br)Br	77291364	TWDGXJVDOONOHS-UHFFFAOYSA-N	253.277	1.903	5	40	CDBB	in-vitro
Cc1cc([N+](=O)[O-])cc(N2C[C@H](C(=O)O)CC2=O)c1O	70461215	VTBDWMFTDREWNR-SSDOTTSWSA-N	280.236	1.046	5	40	CDBB	
O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CCCO2)nc1	13838285	SMIQJEYSYKLAEW-VIFPVBQESA-N	282.325	1.455	5	40	CDBB	
O=C1CCC[C@H]2[C@@H]3CCC[N@+]4([O-])CCC[C@H](CN12)[C@H]34	247443875	XVPBINOPNYFXID-UYGGMMBNSA-N	264.369	1.884	5	40	CDBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)n2ccnc2)c1	283117	QKRWTWOKMZUUMD-UHFFFAOYSA-N	287.684	1.682	5	40	CDBB	
O=[N+]([O-])c1ccc(OC(=S)N2CCOCC2)cc1	1692841	IVZZYAQWPUGSQX-UHFFFAOYSA-N	268.294	1.591	5	40	CDBB	
COC[C@H](O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc12	97083877	QJZQVQTXOREBTL-LLVKDONJSA-N	291.307	1.871	5	40	CDBB	
CN1CCO[C@H](COc2ccc([N+](=O)[O-])cc2)C1	217503583	JHOLTBUCGVIXFN-LBPRGKRZSA-N	252.270	1.304	5	40	CDBB	
O=C(O)c1cc(Cl)c(N2CCOCC2)c([N+](=O)[O-])c1	70462624	FWIXMXZUNFOLFF-UHFFFAOYSA-N	286.671	1.783	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1C(OC(C)=O)OC(C)=O	2541439	GMHRDXGOIVQOSW-UHFFFAOYSA-N	283.236	1.728	5	40	CDBB	
O=C(CCNc1cccc(F)c1[N+](=O)[O-])N1CCOCC1	57137407	AKSFNDMZZQRYHK-UHFFFAOYSA-N	297.286	1.395	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCC1	2495805	SMAJHWAPCLMOPE-UHFFFAOYSA-N	270.310	1.816	5	40	CDBB	
O=[N+]([O-])c1ccc(-n2cc(Br)cn2)nc1	38074904	GZERSAXEXQDQJD-UHFFFAOYSA-N	269.058	1.938	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1CO	133377995	RDTIROUSKJVIPH-NSHDSACASA-N	298.726	1.774	5	40	CDBB	
COC[C@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2C)CC1	96429397	CIBJBGVIADVCBY-LBPRGKRZSA-N	294.355	1.455	5	40	CDBB	
CC(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	5250766	IXSNBJOAOYVCST-UHFFFAOYSA-N	279.296	1.696	5	40	CDBB	
O=[N+]([O-])c1ccc(Cn2c(CO)c[nH]c2=S)cc1	12649004	KHWHBHFUZBUCJW-UHFFFAOYSA-N	265.294	1.994	5	40	CDBB	
COc1c2c(c([N+](=O)[O-])c(OC)c1OC)C(=O)OC2	138992	JMAOAQFSDJMMJP-UHFFFAOYSA-N	269.209	1.291	5	40	CDBB	biogenic,in-vitro
O=C(Cn1ccc([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])cc1	50131328	LWARCRJKFBADLI-UHFFFAOYSA-N	276.208	1.582	5	40	CDBB	
C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1F	54773181	NBOBLHNFUOQFHO-MRVPVSSYSA-N	268.244	1.595	5	40	CDBB	
Cc1cccc(C(=O)N(C)Cc2cnn(C)c2)c1[N+](=O)[O-]	24479913	ABAADUHQFZCVCG-UHFFFAOYSA-N	288.307	1.909	5	40	CDBB	
CC1=C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(COC2=O)N1	68606376	NGHBHPBCPKDDRP-NSHDSACASA-N	272.260	1.996	5	40	CDBB	
Cc1nn(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c1[N+](=O)[O-]	4548916	OVUCWNGMQLFKHU-NXEZZACHSA-N	294.355	1.913	5	40	CDBB	
O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC1	96005980	GYDVHEHQIXZJOK-GFCCVEGCSA-N	275.264	1.320	5	40	CDBB	
C[C@H](N[C@@H](C(=O)O)C(C)(C)[N+](=O)[O-])c1ccccc1	75411833	ZHUMAKNXBGYCDQ-ONGXEEELSA-N	266.297	1.846	5	40	CDBB	
C[C@@](Cl)([C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96520273	DWHDECRZGHNLKB-UWVGGRQHSA-N	293.728	1.628	5	40	CDBB	
CC(C)[C@]1(C)NC(c2ccccc2[N+](=O)[O-])=NC1=O	24718244	QZPSLIGHQNEJTG-ZDUSSCGKSA-N	261.281	1.886	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccoc1	56218975	MTFBGXBOYAJZBS-UHFFFAOYSA-N	265.225	1.550	5	40	CDBB	
CC(C)[C@@H](CNc1ncccc1[N+](=O)[O-])N1CCOCC1	12811995	KABPMNZXFPSRID-CYBMUJFWSA-N	294.355	1.759	5	40	CDBB	
CCN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	409235822	CCCMDOTYMUBBON-JXMROGBWSA-N	261.237	1.507	5	40	CDBB	
CCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	5519267	DWOURIFKSJFGMX-UHFFFAOYSA-N	282.252	1.495	5	40	CDBB	
CC(=O)Cn1nc([N+](=O)[O-])nc1Sc1ccccc1N	8715441	FQYPDRQRUJWHIR-UHFFFAOYSA-N	293.308	1.509	5	40	CDBB	
C[C@@H](CNCc1cccc([N+](=O)[O-])c1)[S@@](C)=O	95436247	BCRLWBAEDAPCGP-XYZCENFISA-N	256.327	1.451	5	40	CDBB	
CNC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21	95983959	KHGSPDDCJZMRIY-UHFFFAOYSA-N	268.660	1.344	5	40	CDBB	
CC[C@@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)O	95970156	IMBUAWRUGSEIQE-HQJQHLMTSA-N	295.295	1.406	5	40	CDBB	
Cc1nccn1-c1ccc([N+](=O)[O-])c(N2CCNCC2)c1	38518557	GZKDDOUOFDEZFL-UHFFFAOYSA-N	287.323	1.499	5	40	CDBB	
NC(=O)c1cc(Oc2cccc([N+](=O)[O-])c2)ccn1	72233908	CIYQLNWNTNUGSV-UHFFFAOYSA-N	259.221	1.881	5	40	CDBB	
C[C@H](C[S@](C)=O)N(C)c1cccc(F)c1[N+](=O)[O-]	225601838	OXUKTHRBHBRFRN-CVJBHZAOSA-N	274.317	1.937	5	40	CDBB	
Cc1cc(C(=O)OCC(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	5635233	ZMBAGBUVSPRTDO-UHFFFAOYSA-N	294.307	1.975	5	40	CDBB	
O=C1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1Cl	5118577	IICXLMNMCVPVTO-UHFFFAOYSA-N	298.682	1.776	5	40	CDBB	
O=C(O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O	38849	OEARXQDXBRFQKR-UHFFFAOYSA-N	254.198	1.104	5	40	CDBB	
O=[N+]([O-])c1ccsc1NC[C@H]1CN2CCC[C@@H]2CO1	95986637	DYMYCDDBKOLASH-ZJUUUORDSA-N	283.353	1.931	5	40	CDBB	
C[C@H](Cn1cc([N+](=O)[O-])c(OCC(F)F)n1)C(=O)O	408715724	CXODYHCWEUGTJU-RXMQYKEDSA-N	279.199	1.156	5	40	CDBB	
COC(=O)c1cnn(-c2cccc([N+](=O)[O-])c2)c1N	71978704	NJCTUZBXCHAVON-UHFFFAOYSA-N	262.225	1.149	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCO1	19845277	LETNQUDZJOPTME-VIFPVBQESA-N	266.253	1.884	5	40	CDBB	
O=C(N[C@H]1CCSC1=O)c1ccc([N+](=O)[O-])cc1	183062	IIHHQQNEHNIBHZ-VIFPVBQESA-N	266.278	1.357	5	40	CDBB	
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)NCc1ccco1	2778274	GIWVZHURDBQDOV-UHFFFAOYSA-N	298.686	1.744	5	40	CDBB	
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1	11454931	RIQURSKPPNASAV-VIFPVBQESA-N	250.254	1.456	5	40	CDBB	
COc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(OC)c1	6412859	DVNXALRSLJTKTL-UHFFFAOYSA-N	292.251	1.587	5	40	CDBB	
NC(=O)c1ccc(COc2cccnc2[N+](=O)[O-])cc1	16809082	NZMDXOZDNHPQJY-UHFFFAOYSA-N	273.248	1.668	5	40	CDBB	
O=c1c([N+](=O)[O-])cccn1Cc1ccc([N+](=O)[O-])cc1	72280378	WAAFNZVTMRFNFA-UHFFFAOYSA-N	275.220	1.713	5	40	CDBB	
CC(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	12544732	IXEOPOQBDLCNRB-UHFFFAOYSA-N	262.269	1.857	5	40	CDBB	
Cc1nc2nc(C(F)(F)F)nn2c(O)c1[N+](=O)[O-]	1304609	BPDYMOMMRHIGOX-UHFFFAOYSA-N	263.135	1.065	5	40	CDBB	
Cc1nn(CN2CCSCC2)c(C)c1[N+](=O)[O-]	59579813	WEEJACJRRQHBIM-UHFFFAOYSA-N	256.331	1.414	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cccs1	5038973	BSNKGOMFASXSRU-UHFFFAOYSA-N	293.304	1.134	5	40	CDBB	
COc1ccc(OCC(=O)N2CCCC2=O)c([N+](=O)[O-])c1	5050967	DZKGEZYLTOENPZ-UHFFFAOYSA-N	294.263	1.131	5	40	CDBB	
CC(C)CNC(=O)COc1cccc([N+](=O)[O-])c1	7783635	CWHOVCMQOLWMFO-UHFFFAOYSA-N	252.270	1.746	5	40	CDBB	
COC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H]2CCOC2)c1	71851827	DNSAZAPPXZBOIR-SECBINFHSA-N	281.264	1.797	5	40	CDBB	
COC(=O)[C@@H](C)CNC(=O)N(C)c1cccc([N+](=O)[O-])c1	95964332	MYSTXPZPFKZUJM-VIFPVBQESA-N	295.295	1.550	5	40	CDBB	
CCOc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	32683495	LXXYEZVUKVQGFW-UHFFFAOYSA-N	291.267	1.224	5	40	CDBB	
Cc1[nH]c(=O)c([N+](=O)[O-])c(C)c1I	217590324	VBWQMVODFHKMDI-UHFFFAOYSA-N	294.048	1.505	5	40	CDBB	
Cn1cc([C@@](C)(O)CNc2ncccc2[N+](=O)[O-])cn1	96421036	YLQJMGWIRXJWGB-LBPRGKRZSA-N	277.284	1.043	5	40	CDBB	
CCCn1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cn1	76064205	CEHUSAWWIALHAM-UHFFFAOYSA-N	263.261	1.317	5	40	CDBB	
O=C(Nc1nc[nH]n1)c1cc([N+](=O)[O-])ccc1Cl	13152083	XMAPXXOWOMQTLR-UHFFFAOYSA-N	267.632	1.619	5	40	CDBB	
C=C(NNc1cccc([N+](=O)[O-])c1)C(=O)OCC	1574331	SZFYBUZXCRKPOZ-UHFFFAOYSA-N	251.242	1.588	5	40	CDBB	
Cc1cc(C(=O)N2CCO[C@H](C)C2)ccc1[N+](=O)[O-]	9053379	IKEFKBGAUBLYLN-SNVBAGLBSA-N	264.281	1.764	5	40	CDBB	
O=[N+]([O-])c1ccccc1NC[C@@H]1CN(C2CC2)CCO1	106369640	IRDYANYPDPSXDU-GFCCVEGCSA-N	277.324	1.870	5	40	CDBB	
O=C1C[C@@H]([C@@H]2CCCCN2c2ncccc2[N+](=O)[O-])CN1	95449519	XEHTUGNHZUCQHA-MNOVXSKESA-N	290.323	1.485	5	40	CDBB	
CCOC(=O)n1nc(O)c2cc([N+](=O)[O-])ccc21	72226358	PZZXOYLHFQSEQP-UHFFFAOYSA-N	251.198	1.655	5	40	CDBB	
Cc1ccnc(N2CC[C@@H](c3cc(O)n[nH]3)C2)c1[N+](=O)[O-]	585141508	AUYXYDZTRDZWMB-SECBINFHSA-N	289.295	1.721	5	40	CDBB	
COCCN(CC(C)C)c1ncc([N+](=O)[O-])c(N)n1	96483171	KGDMYUULUSJHTK-UHFFFAOYSA-N	269.305	1.076	5	40	CDBB	
Cc1nn(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	14248765	KGAZKQIHGPWNKR-UHFFFAOYSA-N	296.308	1.438	5	40	CDBB	
C[C@H]1CCC[C@@H](C)N1C(=O)c1nn(C)cc1[N+](=O)[O-]	16991016	CBYVRPITMYJPTK-DTORHVGOSA-N	266.301	1.731	5	40	CDBB	
Nc1ccc(C(=O)OC[C@@H]2CCCO2)cc1[N+](=O)[O-]	25396855	ALFVMWOYVUNAQI-VIFPVBQESA-N	266.253	1.513	5	40	CDBB	
N=c1ccccn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	6576647	FKVZHMLDILITCV-GFCCVEGCSA-N	289.291	1.316	5	40	CDBB	
COC[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	5688274	MLLZQHITZQJXPO-MRVPVSSYSA-N	268.269	1.813	5	40	CDBB	
Cc1cc2nc(-n3cnc([N+](=O)[O-])n3)c3ccccc3n2n1	78990252	OAZCJRYRBKWMOC-UHFFFAOYSA-N	295.262	1.680	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCCC2)c(-n2cnnc2)c1	70461797	SCXOIBLJRNXWIS-UHFFFAOYSA-N	259.269	1.776	5	40	CDBB	
Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCSC1	97235057	KBYFINVPPRHZAJ-MRVPVSSYSA-N	281.337	1.802	5	40	CDBB	
CC(=O)NCCCNc1ncc(Cl)cc1[N+](=O)[O-]	153564184	WOQDYZLCFTXBNX-UHFFFAOYSA-N	272.692	1.581	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1N1CCN=C1Cc1ccccc1	68712560	PJFQPPGDVSZKAA-UHFFFAOYSA-N	285.307	1.790	5	40	CDBB	
C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	3238453	BKXIJQBHXIPDSG-GZMMTYOYSA-N	278.264	1.733	5	40	CDBB	
COC[C@@H](O)CNc1ccc([N+](=O)[O-])c2cnccc12	71271604	VXXNFHGBYZNINY-VIFPVBQESA-N	277.280	1.562	5	40	CDBB	
NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	89091786	GNMJJMKZNVAKPG-CABZTGNLSA-N	299.352	1.001	5	40	CDBB	
O=[N+]([O-])c1ccnn1CN1CCc2ccccc2C1	40554217	HOCLDWASAWCGEC-UHFFFAOYSA-N	258.281	1.807	5	40	CDBB	
C[C@@H]1CN=C(NC(=O)c2cccc([N+](=O)[O-])c2)S1	287901	ABXKIZOXAIJTAX-SSDOTTSWSA-N	265.294	1.816	5	40	CDBB	
NC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	51693348	UPWCLTDDFJOOKP-UHFFFAOYSA-N	299.352	1.143	5	40	CDBB	
CCN(CC)C[C@@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-]	2781819	YHGRYNCSPJTRFW-SNVBAGLBSA-N	297.359	1.271	5	40	CDBB	
CC[N+](C)(C)CCCOC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	103913562	UAYTZKXVZLOQJE-QNSTZXKLSA-N	296.387	1.214	5	40	CDBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1	36329773	BORDTLDWOQHRRS-LBPRGKRZSA-N	264.281	1.545	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CCOC1	78612281	SYSRTIOQOJJHNC-JTQLQIEISA-N	251.238	1.849	5	40	CDBB	
CCOC(=O)C(C(=O)OCC)c1ccncc1[N+](=O)[O-]	38540170	LAVQMCRFEBZEEH-UHFFFAOYSA-N	282.252	1.200	5	40	CDBB	
CCCCN(C)C(=O)Cn1cc([N+](=O)[O-])nc1C	72332090	UFHHAHHHOWROAK-UHFFFAOYSA-N	254.290	1.358	5	40	CDBB	
C[C@]1(C(=O)O)CC(c2ccc([N+](=O)[O-])cc2)=NO1	71980986	BJFFRJNKNQZQTE-LLVKDONJSA-N	250.210	1.563	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(F)ccc1F	1424783	PFSSIKBQRYBAMY-UHFFFAOYSA-N	282.206	1.708	5	40	CDBB	
C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	6119971	MOASAVCGJHHBHS-ZYHUDNBSSA-N	293.323	1.451	5	40	CDBB	
Cc1cc(=O)c(C(=O)O)nn1-c1ccccc1[N+](=O)[O-]	4205801	JOZVCXWVVHEUMP-UHFFFAOYSA-N	275.220	1.147	5	40	CDBB	
O=C(NCCNc1ncccc1[N+](=O)[O-])c1ccco1	24207941	JLJUBXLEKLCBFX-UHFFFAOYSA-N	276.252	1.425	5	40	CDBB	
CSC[C@@H](CCO)Nc1ncccc1[N+](=O)[O-]	72293867	HLDYVUBEEKEHNA-MRVPVSSYSA-N	257.315	1.516	5	40	CDBB	
Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)n(C)n1	89591752	AEFJCQHPRVYGHV-UHFFFAOYSA-N	275.268	1.592	5	40	CDBB	
COC(=O)c1ccccc1Cn1cc([N+](=O)[O-])c(C)n1	96501940	DPADVTQRUZPCTO-UHFFFAOYSA-N	275.264	1.935	5	40	CDBB	
O=C(Nc1ccc(F)cc1F)c1n[nH]cc1[N+](=O)[O-]	5642287	NPQGFMSNYNPHPQ-UHFFFAOYSA-N	268.179	1.848	5	40	CDBB	
CCCc1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1	29400762	ZWNXUMQRTGMKMC-UHFFFAOYSA-N	264.241	1.140	5	40	CDBB	
CC1CCC(NC(=O)CCn2cnc([N+](=O)[O-])c2)CC1	12778489	JHSSZKIBQVFGND-UHFFFAOYSA-N	280.328	1.876	5	40	CDBB	
CNC(=O)[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-]	69510301	ZGGOGNSWTNZWQY-GFCCVEGCSA-N	293.323	1.184	5	40	CDBB	
Cc1nn(C)c(N[C@H]2c3ccccc3C[C@H]2O)c1[N+](=O)[O-]	80571386	ZAPKQKABKTVMPC-NEPJUHHUSA-N	288.307	1.707	5	40	CDBB	
CC[C@@](C)(NCc1c(F)cccc1[N+](=O)[O-])C(N)=O	75105625	UCHSMASRJLVTIX-GFCCVEGCSA-N	269.276	1.478	5	40	CDBB	
O=c1cc(O)c2c(=O)n3c4c(cccc4c2o1)CCC3	95351654	NAKALTGIZGZIAU-UHFFFAOYSA-N	269.256	1.760	5	40	CDBB	
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cnn(C)c1	195567468	BSFAGYMPGFURMX-MRVPVSSYSA-N	290.279	1.525	5	40	CDBB	
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1[N+](=O)[O-])OCCO2	95676276	JWGHEORPZNJONK-UHFFFAOYSA-N	271.141	1.182	5	40	CDBB	
CCN(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])cc1F	81745525	CEFNAKOTFMBELB-UHFFFAOYSA-N	284.287	1.967	5	40	CDBB	
CCC[N+](C)(C)CCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23	5352023	HZZUTTDRMYIDDZ-BJJPWKGXSA-N	296.387	1.214	5	40	CDBB	
O=c1ccn(Sc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1	16429313	ZSUAZGUEXUKZCS-UHFFFAOYSA-N	265.250	1.000	5	40	CDBB	
CN(C)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	16642730	BZKOGXUDXQAJDX-UHFFFAOYSA-N	279.296	1.133	5	40	CDBB	
O=C(NCc1ccccc1[N+](=O)[O-])c1cnccn1	46136749	COPWKCVJHQICLP-UHFFFAOYSA-N	258.237	1.315	5	40	CDBB	
CCN1C[C@@H](C(=O)OCc2csc([N+](=O)[O-])c2)CC1=O	95954545	XOQVFTHJGKCRLJ-VIFPVBQESA-N	298.320	1.568	5	40	CDBB	
CCCCN(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-]	12768027	XKBLQBQJGDHKLS-UHFFFAOYSA-N	276.296	1.839	5	40	CDBB	
O=C(O)CCn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	408716258	KQCLVTZRMDKKRE-UHFFFAOYSA-N	297.189	1.597	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1N[C@@H](CO)Cc1ccccc1	63218602	PBMHDRMZNJIBMM-LLVKDONJSA-N	276.296	1.344	5	40	CDBB	
COC[C@]1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	66084190	YNFLLLCSRSJSGQ-ZDUSSCGKSA-N	293.279	1.052	5	40	CDBB	
Cc1cnc(OCc2nnc(C)o2)c([N+](=O)[O-])c1	79001605	KUHCPPWRTZCIKY-UHFFFAOYSA-N	250.214	1.569	5	40	CDBB	
O=[N+]([O-])c1ccc2cccc(S(=O)(=O)O)c2c1	34513869	NXOIHHATVQOBMU-UHFFFAOYSA-N	253.235	1.995	5	40	CDBB	
O=[N+]([O-])c1ncn(Cc2cc(-c3ccco3)on2)n1	48374137	CMUNGJLVIPASJS-UHFFFAOYSA-N	261.197	1.483	5	40	CDBB	
CN1CC(=O)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1=O	97082311	RMPIKAWHCCZJGB-UHFFFAOYSA-N	283.671	1.642	5	40	CDBB	
CCCN(CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1	32796843	GNLLUZAGPMFBEP-UHFFFAOYSA-N	267.285	1.831	5	40	CDBB	
CCN(CC)C(=O)CCn1cc([N+](=O)[O-])c(C)n1	2782175	RBUMMJARIIWBPZ-UHFFFAOYSA-N	254.290	1.358	5	40	CDBB	
CC[N+]1(C)[C@@H](c2ccc(OC)c(OC)c2)[C@@H](O)[C@H](O)[C@H]1C	4029887	QIVWXVZLBPQWKQ-MSFNRJNQSA-N	296.387	1.335	5	40	CDBB	
COc1ccc(C)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1	8295750	GTXDRYGFFSMPGZ-UHFFFAOYSA-N	291.267	1.142	5	40	CDBB	
CC(=O)CC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1	104274005	QUQIEKOSYBYMDZ-UHFFFAOYSA-N	278.264	1.862	5	40	CDBB	
CO[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1	76481579	MMDOWSFWGLOWTP-SNVBAGLBSA-N	280.280	1.551	5	40	CDBB	
O=c1[nH]c(Cn2cc([N+](=O)[O-])cn2)nc2ccccc12	58390724	WHWQCKYIDLBFDY-UHFFFAOYSA-N	271.236	1.076	5	40	CDBB	
CCOC(=O)C1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	4054442	GFHWJFIQEQDYBL-UHFFFAOYSA-N	295.251	1.502	5	40	CDBB	
Cc1cc(NC(=O)[C@H](C)Oc2cccnc2[N+](=O)[O-])no1	7202910	ORWKGVWUIHYAAP-QMMMGPOBSA-N	292.251	1.692	5	40	CDBB	
Cc1ccnc(NCCn2ccccc2=O)c1[N+](=O)[O-]	97002070	DIDLJQSKQZIFJY-UHFFFAOYSA-N	274.280	1.572	5	40	CDBB	
CCc1cc(-n2cnc([N+](=O)[O-])n2)nc(-c2ccccn2)n1	72310934	VLNZXRJXXXIPGF-UHFFFAOYSA-N	297.278	1.590	5	40	CDBB	
O=C(C1CCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	75141795	WPQHHZZBUARNSG-LLVKDONJSA-N	290.323	1.803	5	40	CDBB	
C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc([N+](=O)[O-])cc1	193566632	CFRFHLPKYKUNBU-BXKDBHETSA-N	263.297	1.209	5	40	CDBB	
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1ccnc1	195576676	XSCSWBVVLLBVOE-UHFFFAOYSA-N	267.266	1.184	5	40	CDBB	
C[C@H]1C[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1	95442697	NQRDQNYDNKOGAJ-CABZTGNLSA-N	263.297	1.845	5	40	CDBB	
Cc1cc(-n2cnnc2[S@@](C)=O)ccc1[N+](=O)[O-]	92653952	MFZWJSMYZTXQEM-SFHVURJKSA-N	266.282	1.221	5	40	CDBB	
CC[C@H](C(=O)O)n1cc(-n2cc([N+](=O)[O-])cn2)cn1	685936762	WKQODZWMKFHUTM-SECBINFHSA-N	265.229	1.013	5	40	CDBB	
COC[C@H](O)CNc1cc(C)c([N+](=O)[O-])cc1Cl	80643386	KDBVJWDPHSSETF-MRVPVSSYSA-N	274.704	1.976	5	40	CDBB	
Cc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)cc1C	209692	KZFONWJWTJHBPB-UHFFFAOYSA-N	295.320	1.954	5	40	CDBB	
CC[C@@H](C)NC(=S)NCCn1nc(C)c([N+](=O)[O-])c1C	2790676	WFRVSMZBCVWCPY-MRVPVSSYSA-N	299.400	1.671	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nn[nH]n2)c1	6444519	CUXFLIAZNRIAMR-UHFFFAOYSA-N	274.284	1.765	5	40	CDBB	
O=C(/C=C/c1ccco1)NCCn1cc([N+](=O)[O-])cn1	2776866	KUMQLFBRRAXUHF-ONEGZZNKSA-N	276.252	1.214	5	40	CDBB	
CC(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)N1CCOCC1	12630058	AXFBENAJYNCFTG-NSHDSACASA-N	297.359	1.097	5	40	CDBB	
CCCOC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	59383165	JVTMCVSXJHFWHP-UHFFFAOYSA-N	270.266	1.470	5	40	CDBB	
Cc1nn(CCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-]	17994259	KDIJDUVAOGSCSD-AOOOYVTPSA-N	296.327	1.126	5	40	CDBB	
COc1cccc(CCNc2nn(C)cc2[N+](=O)[O-])c1	95098543	FBFMLCPGRYTHIG-UHFFFAOYSA-N	276.296	1.992	5	40	CDBB	
Cc1nc(NC(=O)Cc2ccon2)ccc1[N+](=O)[O-]	95417318	TZYSDLSXQZEQCC-UHFFFAOYSA-N	262.225	1.467	5	40	CDBB	
COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1	188515604	NMWQYPYMCKHUSQ-GFCCVEGCSA-N	279.296	1.332	5	40	CDBB	
CC(=O)OC(OC(C)=O)c1cccc([N+](=O)[O-])c1	1727466	QJNXSPWUBMFCND-UHFFFAOYSA-N	253.210	1.720	5	40	CDBB	
Cc1c(C(=O)OCC(=O)NC(C)C)cccc1[N+](=O)[O-]	3330129	ZNSDKMCBUWPOMG-UHFFFAOYSA-N	280.280	1.585	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1Cl	8295841	NGGQUFBBIFACHE-UHFFFAOYSA-N	281.659	1.478	5	40	CDBB	
O=[N+]([O-])c1c(N2CCOCC2)nc2sccn12	4024221	SAMNZJQPYNPOOK-UHFFFAOYSA-N	254.271	1.141	5	40	CDBB	
Cn1cnnc1NC(=O)c1ccc([N+](=O)[O-])s1	97102683	XGZJXFSATDHQAA-UHFFFAOYSA-N	253.243	1.037	5	40	CDBB	
CCC(=O)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C	408536033	VIGBPBKTQOWIIJ-UHFFFAOYSA-N	278.268	1.134	5	40	CDBB	
CCc1nnc(Sc2ccc([N+](=O)[O-])cc2OC)n1N	70462283	GIPCDNSWRLDVAI-UHFFFAOYSA-N	295.324	1.622	5	40	CDBB	
Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCSC1	97235059	KBYFINVPPRHZAJ-QMMMGPOBSA-N	281.337	1.802	5	40	CDBB	
O=C(Nc1ccc(O)cc1F)c1n[nH]cc1[N+](=O)[O-]	97238726	NFRJCZSUSBYUAC-UHFFFAOYSA-N	266.188	1.415	5	40	CDBB	
Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-]	24989541	NDGOUTNYGYSCKH-VIFPVBQESA-N	265.269	1.086	5	40	CDBB	
CCOC(=O)C(=O)CC(=O)c1cccc([N+](=O)[O-])c1	100025752	TXUPDOSNKUMFAR-UHFFFAOYSA-N	265.221	1.300	5	40	CDBB	
Cc1ccc(C(=O)OCC(=O)N(C)C)cc1[N+](=O)[O-]	7035722	LHORVTFQAGOYLP-UHFFFAOYSA-N	266.253	1.148	5	40	CDBB	
CC[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-]	3382126	KOAJUQDTCGKBCU-VIFPVBQESA-N	252.270	1.888	5	40	CDBB	
COc1nc(N2C[C@@H](C)C[C@H](C)C2)nc(N)c1[N+](=O)[O-]	4140241	IHDBJGICRDQWMO-YUMQZZPRSA-N	281.316	1.458	5	40	CDBB	
CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	5637903	RVNOLNRQEIEEAT-UHFFFAOYSA-N	285.325	1.103	5	40	CDBB	
O=C(NCc1ccccn1)c1ccc([N+](=O)[O-])s1	9219327	YLAAKWUHZHXLEB-UHFFFAOYSA-N	263.278	1.981	5	40	CDBB	
CC(C)(C)c1nc(C(C)(C)NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])no1	69176938	FHYHIHTZOFDJBX-YUMQZZPRSA-N	296.327	1.384	5	40	CDBB	
Cc1nn(-c2ccccc2)c(NCCO)c1[N+](=O)[O-]	4301181	OERKUQZODCZVHL-UHFFFAOYSA-N	262.269	1.493	5	40	CDBB	
Cn1nc([N+](=O)[O-])cc1COCCC(F)(F)F	72209669	AEHSVDLWJZKWEW-UHFFFAOYSA-N	253.180	1.797	5	40	CDBB	
Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	36284009	FIHIRTMLAHQAQD-UHFFFAOYSA-N	293.304	1.978	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)C1=CN=S=N1	223811929	DLTNUSJKGRMAOT-UHFFFAOYSA-N	280.265	1.847	5	40	CDBB	
O=[N+]([O-])c1ccc(NCc2nc(C3CC3)no2)nc1	52473391	ZAFCMQVZHXDSBY-UHFFFAOYSA-N	261.241	1.862	5	40	CDBB	
O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2ccccc2)CC1	47268048	CIWLATSKVYRUAW-QWHCGFSZSA-N	275.308	1.000	5	40	CDBB	
O=C1N(Cc2ccc([N+](=O)[O-])cc2)CCc2cncn21	1386440	OPIBGZCMIYVDBH-UHFFFAOYSA-N	272.264	1.818	5	40	CDBB	
NNc1nn2c(=O)c3ccccc3nc2c2ccccc12	1465589	NMHRDJYTASRAHQ-UHFFFAOYSA-N	277.287	1.682	5	40	CDBB	
O=c1c2ccccc2nnn1Cc1ccc([N+](=O)[O-])cc1	3617956	KGTOCKPSTZAGKL-UHFFFAOYSA-N	282.259	1.748	5	40	CDBB	
C[C@@H](C1CCC1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N	97114505	JQPQEFJQEGPFDE-QMMMGPOBSA-N	278.312	1.833	5	40	CDBB	
CC(=O)NCCCN(C)c1cc(C)ccc1[N+](=O)[O-]	95410406	YAGAZXFBUCZAOA-UHFFFAOYSA-N	265.313	1.866	5	40	CDBB	
Cc1nc([N+](=O)[O-])c(N2CC[C@H](C(C)(C)C)[C@H](O)C2)n1C	95997018	NVRFYHFXIBFULF-WDEREUQCSA-N	296.371	1.870	5	40	CDBB	
COC(CNc1ccc([N+](=O)[O-])cc1C(=O)O)OC	408712509	ZVLMPCWLIKSQRA-UHFFFAOYSA-N	270.241	1.324	5	40	CDBB	
O=C(N1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CC1	225991488	NESPNSZAAMIDAB-UHFFFAOYSA-N	276.292	1.485	5	40	CDBB	
CC(C)(O)Cn1nnc(-c2cccc([N+](=O)[O-])c2)n1	95404041	YGXQKMLBDQXMCP-UHFFFAOYSA-N	263.257	1.019	5	40	CDBB	
COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2CCOC2)c1	71851828	DNSAZAPPXZBOIR-VIFPVBQESA-N	281.264	1.797	5	40	CDBB	
CC[C@H](C)NC(=O)COc1cc(C(=O)O)ccc1[N+](=O)[O-]	13034495	ZNTHBEYIDDMNBN-QMMMGPOBSA-N	296.279	1.587	5	40	CDBB	
Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCO2	4785053	KJWVFPFMRWKMLZ-UHFFFAOYSA-N	290.235	1.309	5	40	CDBB	
C[C@H](O)[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-]	97232737	AETYJFGKKIGEDZ-AAEUAGOBSA-N	292.335	1.899	5	40	CDBB	
CN(CC(=O)NC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])s1	21937674	ZSYWDNJELQKJFT-UHFFFAOYSA-N	299.352	1.643	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)n[nH]1	70462411	UKZWLGCFYFCNKP-UHFFFAOYSA-N	294.292	1.959	5	40	CDBB	
C[C@@H](C(=O)O)n1nc([N+](=O)[O-])cc1Br	953107846	PWFMQPIGJJKLQY-VKHMYHEASA-N	264.035	1.199	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccco1	124535	XKAFDSKUHBNTLN-UHFFFAOYSA-N	265.225	1.550	5	40	CDBB	
CCN(CC)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1	2781271	QGKGIHMQXVWNFT-NSHDSACASA-N	297.359	1.028	5	40	CDBB	
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)O1	3304955	VYVHXHKVJTWDIP-HTQZYQBOSA-N	270.310	1.906	5	40	CDBB	
CNc1nc(NCc2ccco2)nc(N)c1[N+](=O)[O-]	4140232	GAENXOZEDXSHJK-UHFFFAOYSA-N	264.245	1.214	5	40	CDBB	
CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@@H]1O	72301749	DYYJVADFYIMGBM-ZANVPECISA-N	293.323	1.527	5	40	CDBB	
CC(C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	30753463	RKEDFPDNRKWWSF-UHFFFAOYSA-N	272.326	1.670	5	40	CDBB	
COC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCO1	78342917	IYSNRDWXXBRZQB-JTQLQIEISA-N	270.260	1.586	5	40	CDBB	
COC(=O)[C@H]1CN(C)C[C@@H]1c1cccc([N+](=O)[O-])c1	217669655	QNTOCBMKRBNBKQ-NEPJUHHUSA-N	264.281	1.413	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1F	49419782	JIRZGXBKCLXOPC-UHFFFAOYSA-N	278.243	1.878	5	40	CDBB	
CC1CCN(c2ccc(-n3cnnn3)cc2[N+](=O)[O-])CC1	5393135	CWAAHOIXVMLWMJ-UHFFFAOYSA-N	288.311	1.807	5	40	CDBB	
CC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl	572090	NAYRIQPCOPVLPR-UHFFFAOYSA-N	257.629	1.994	5	40	CDBB	
COc1c2c(cc3c1[C@@H](C[C@@H](C)O)[N+](C)(C)CC3)OCO2	485790	JDHJUNPYLKPCMG-ZYHUDNBSSA-N	294.371	1.868	5	40	CDBB	biogenic
CCOC(=O)[C@H](C)Oc1cc(C=O)ccc1[N+](=O)[O-]	50517383	VXFUQKIQJBSJOV-QMMMGPOBSA-N	267.237	1.738	5	40	CDBB	
O=C1[C@@H]2CCCN2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	4788306	ICCAFCAQXZNLJD-NSHDSACASA-N	275.264	1.521	5	40	CDBB	
C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1	95447705	ZHQOLXJMOCOFNV-VIFPVBQESA-N	289.291	1.937	5	40	CDBB	
C[C@H](N[C@H](C)Cn1cncn1)c1ccc([N+](=O)[O-])cc1	95421202	SHMWKPQQPHAEOH-MNOVXSKESA-N	275.312	1.926	5	40	CDBB	
O=[N+]([O-])c1ccccc1NCCCN1CCC(O)CC1	60378728	YRDVXVUXJAKEFB-UHFFFAOYSA-N	279.340	1.854	5	40	CDBB	
CCS(=O)(=O)CC(=O)c1cccc([N+](=O)[O-])c1	81907214	PASKPYUPLSYDCU-UHFFFAOYSA-N	257.267	1.212	5	40	CDBB	
CCOc1cccc(Cn2nc([N+](=O)[O-])cc2C)n1	225477514	MUPFWSFEOCJROF-UHFFFAOYSA-N	262.269	1.942	5	40	CDBB	
CCc1nc(C)cn1S(=O)(=O)c1cccc([N+](=O)[O-])c1	7425101	RBGLJLDMBHUENF-UHFFFAOYSA-N	295.320	1.899	5	40	CDBB	
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	3897615	SHPJSIUHFNHXFW-KGOITJQVSA-N	284.271	1.906	5	40	CDBB	
CCOC(=O)COc1ccc(/C=C/[N+](=O)[O-])cc1	3118249	RTJCVJBPBFSVIQ-BQYQJAHWSA-N	251.238	1.876	5	40	CDBB	
CC[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	32765431	LTSYJHMTISZKMV-SSDOTTSWSA-N	262.269	1.999	5	40	CDBB	
CS(=O)(=O)c1nccn1Cc1csc([N+](=O)[O-])c1	81272590	LXNGFHWRHXASTB-UHFFFAOYSA-N	287.322	1.305	5	40	CDBB	
COc1nn([C@H](CC(=O)O)C(F)(F)F)cc1[N+](=O)[O-]	685936502	BVFZEEWLPQTWIZ-RXMQYKEDSA-N	283.162	1.378	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CO	58365747	GVZBNVSCFGKDGC-ZETCQYMHSA-N	269.257	1.106	5	40	CDBB	
CC(C)(C)OC(=O)N1CCn2nc([N+](=O)[O-])cc2C1	219991003	LTWYDNNGKIISEC-UHFFFAOYSA-N	268.273	1.542	5	40	CDBB	
CN(CC(C)(CO)CO)c1cc(F)ccc1[N+](=O)[O-]	252498483	RDAPUKGTKDGCDJ-UHFFFAOYSA-N	272.276	1.161	5	40	CDBB	
Cc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(N)n1	169147	PMEKJNBWIPGACV-UHFFFAOYSA-N	260.253	1.090	5	40	CDBB	
CC(C)(OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	1850069	HUAFWIKSDZYCHZ-UHFFFAOYSA-N	253.210	1.615	5	40	CDBB	
O=C(NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1	2778064	XQZWKMBGMWRPBY-UHFFFAOYSA-N	266.301	1.488	5	40	CDBB	
CNc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-]	4922835	ZEPQLEVHNGFELZ-UHFFFAOYSA-N	269.648	1.109	5	40	CDBB	
Cc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)cc1	6485594	BJSVYMJPLBEEIC-UHFFFAOYSA-N	281.293	1.645	5	40	CDBB	
O=[N+]([O-])c1c(O)ccc2cc(S(=O)(=O)O)ccc12	35092834	VMYPJDABFYJFSU-UHFFFAOYSA-N	269.234	1.700	5	40	CDBB	
O=C1C[C@@H](C(=O)O)[C@H](c2ccc([N+](=O)[O-])cc2)O1	85394880	XKPHQFZUQWQCRO-SCZZXKLOSA-N	251.194	1.284	5	40	CDBB	
c1ccc2c(C[N+]34CN5CN(CN(C5)C3)C4)csc2c1	19324724	HZDXZDCHQCQURR-UHFFFAOYSA-N	287.412	1.910	5	40	CDBB	
COC(=O)[C@@H]1O[C@@H]1c1cc([N+](=O)[O-])ccc1OC	1704605	ZFSZGUBDAZQINV-NXEZZACHSA-N	253.210	1.216	5	40	CDBB	
COc1ccc2c(c1)[n+]([O-])c1cc(Cl)ccc1[n+]2[O-]	4758319	YEZJWPJNXYTCAP-UHFFFAOYSA-N	276.679	1.922	5	40	CDBB	
CCO[C@H]1OC(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]12	104284761	ZEPOFTXLDBUZGM-XWIASGKRSA-N	292.247	1.233	5	40	CDBB	
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCC1	42507489	GGQSDSBWQOOUHE-SECBINFHSA-N	267.285	1.402	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])c(N(C)C)c([N+](=O)[O-])c1	26508816	YIKJAFDROLCUPU-UHFFFAOYSA-N	283.240	1.746	5	40	CDBB	
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H]2CC[C@@H]1C2	102787068	XUYQBNQVKHVWSI-DDHJBXDOSA-N	292.339	1.732	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CCCCC1=O	95957031	HQFIMEVOEYTOQK-NSHDSACASA-N	281.268	1.236	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCCNC2)cc1	70120899	DBWWREKDKUMRKP-JTQLQIEISA-N	299.352	1.015	5	40	CDBB	
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(COC2=O)N1	39001792	VADIDRRQDFVXKB-SECBINFHSA-N	274.232	1.009	5	40	CDBB	
Cn1ccnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	75053143	DAHFLELRTZVUKW-UHFFFAOYSA-N	287.323	1.655	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1N1CCN(CC(C)C)C(=O)C1	195571676	AUPYVYHLFHLWNY-UHFFFAOYSA-N	292.339	1.603	5	40	CDBB	
Cc1cc(NC(=O)N(CCO)C2CC2)ccc1[N+](=O)[O-]	97096009	ZDAKIGXEVMKGJA-UHFFFAOYSA-N	279.296	1.892	5	40	CDBB	
Cc1nn(C)c(NC[C@@H](C)N2CCOC[C@H]2C)c1[N+](=O)[O-]	245344197	YAMKWBNXDRIVPK-NXEZZACHSA-N	297.359	1.158	5	40	CDBB	
Cc1cnc(N[C@@H]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1	95415014	XOHYTFHTCNVAPY-DTWKUNHWSA-N	264.285	1.364	5	40	CDBB	
O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12	169684978	KSKYUERSKUVUJX-HIAZDOBYSA-N	299.286	1.411	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)N1CCCC1	2787904	BZEKDQKKEZDQAE-SECBINFHSA-N	266.301	1.358	5	40	CDBB	
CC(/C=C/c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-])=C\c1ccco1	108113516	VBZQVMNHVSQTAC-AOSYACOCSA-N	289.247	1.681	5	40	CDBB	
O=C(O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	3883707	RKRUADFRDLUFHR-UHFFFAOYSA-N	251.242	1.291	5	40	CDBB	
C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1O	97235369	ICLOZMFKQFQVOM-KWQFWETISA-N	279.296	1.020	5	40	CDBB	
C[C@@H](C(=O)NCc1ccccc1F)n1cc([N+](=O)[O-])cn1	95994874	YSZFWUQNDRHTOL-VIFPVBQESA-N	292.270	1.808	5	40	CDBB	
Cc1nn(C[C@@H](C)C(=O)O)c(C(F)F)c1[N+](=O)[O-]	408716349	LVFXPMFDXJXHGD-SCSAIBSYSA-N	263.200	1.758	5	40	CDBB	
COc1cc(N2CCOC[C@H]2C)ccc1[N+](=O)[O-]	96429157	YAFUGJFSIIGIMA-SECBINFHSA-N	252.270	1.829	5	40	CDBB	
CCN(CC)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1CC	2781362	JHSMHKMGQQPKLS-SNVBAGLBSA-N	297.359	1.271	5	40	CDBB	
C[C@]12CN(CC[N+](C)(C)C)C[C@]1(C)[C@@H]1CC[C@@H]2O1	100133329	XJMRUUTZITWJJO-BYNSBNAKSA-N	253.410	1.582	5	40	CDBB	in-vitro
O=C(Nc1ncccn1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2048924	ZWUBVIQKGNGDFW-UHFFFAOYSA-N	289.207	1.545	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1	12756988	GKLWSJCSORUFOZ-UHFFFAOYSA-N	287.275	1.785	5	40	CDBB	
NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	3885844	ONKIRGVIGHJYHR-UHFFFAOYSA-N	266.135	1.807	5	40	CDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncccn2)c1	13948145	RMTMZLSPRPUKOS-UHFFFAOYSA-N	280.265	1.186	5	40	CDBB	
C[C@@H]1CN(c2c([N+](=O)[O-])ccc3c2CCN3)C[C@@H](CO)O1	225516487	GIDNSNKKSPAJOZ-ZJUUUORDSA-N	293.323	1.149	5	40	CDBB	
COc1ccc(OCc2nnc(C)o2)c([N+](=O)[O-])c1	32957870	SNAOJTXELNZVHH-UHFFFAOYSA-N	265.225	1.874	5	40	CDBB	
O=C(O[C@@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1Cl	11029012	INWMNUCRXNTMET-SECBINFHSA-N	285.639	1.721	5	40	CDBB	
COc1cc(NC(=O)COC(C)=O)c(C)cc1[N+](=O)[O-]	4965097	PVRJUNYDDZPTAH-UHFFFAOYSA-N	282.252	1.413	5	40	CDBB	
C[C@@H]1CN(CCNCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1	71792516	XHEPQRQZKNEKRB-CHWSQXEVSA-N	293.367	1.794	5	40	CDBB	
CS(=O)(=O)c1ccc(/C=C/C(=O)O)c([N+](=O)[O-])c1	44214749	SCMDRZZBDPGZMZ-HWKANZROSA-N	271.250	1.096	5	40	CDBB	
C[C@@H]1CN(c2c([N+](=O)[O-])ccc3c2CCN3)C[C@H](CO)O1	225516453	GIDNSNKKSPAJOZ-NXEZZACHSA-N	293.323	1.149	5	40	CDBB	
COC(=O)COc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1C	85392112	XKBYBTCYDYIQDJ-UHFFFAOYSA-N	284.224	1.672	5	40	CDBB	
Cn1cc([C@](C)(O)CNc2ncccc2[N+](=O)[O-])cn1	96421035	YLQJMGWIRXJWGB-GFCCVEGCSA-N	277.284	1.043	5	40	CDBB	
O=C(OCCOc1cccc([N+](=O)[O-])c1)c1cnccn1	46216089	URQVHEDKFNNSTA-UHFFFAOYSA-N	289.247	1.621	5	40	CDBB	
O=[N+]([O-])c1ccc(SCCO)cc1N1CCOCC1	59386735	OXVYTZSUSNYQLA-UHFFFAOYSA-N	284.337	1.516	5	40	CDBB	
O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	6475570	VOUILHWLOKBSIX-UHFFFAOYSA-N	299.286	1.963	5	40	CDBB	
O=C(CCn1cnc([N+](=O)[O-])c1)NCCc1ccccc1	12520676	KYRKCSCWGSUCQZ-UHFFFAOYSA-N	288.307	1.540	5	40	CDBB	
CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N	1094457	ARJRJAPXVYMANN-UHFFFAOYSA-N	279.325	1.755	5	40	CDBB	
CC[C@H](CO)NC(=O)/C=C\c1ccccc1[N+](=O)[O-]	16980316	VDQMNPXXXOKWJV-SKVAFPRGSA-N	264.281	1.495	5	40	CDBB	
C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(N)=O	12876310	RLJVVVYFENIQNI-MRVPVSSYSA-N	294.307	1.923	5	40	CDBB	
CCN(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	97081181	XEOXXCLWUDFRLB-LBPRGKRZSA-N	277.280	1.566	5	40	CDBB	
O=C(NCC1(O)CCC1)c1cc(F)ccc1[N+](=O)[O-]	73878371	ZBKOKAQGERWUMI-UHFFFAOYSA-N	268.244	1.379	5	40	CDBB	
Nc1ccc(CN[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-]	95986287	NGAMUHLTTDTDGD-NSHDSACASA-N	276.340	1.503	5	40	CDBB	
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cnccn1	89420999	ANMSZRKJSMWPDX-UHFFFAOYSA-N	284.235	1.513	5	40	CDBB	
CC[C@H](O)COc1ccc(C(=O)OC)c([N+](=O)[O-])c1	252493589	NDLKWBJTVMVGSB-QMMMGPOBSA-N	269.253	1.531	5	40	CDBB	
COC(=O)c1c(N)c([N+](=O)[O-])cc(Br)c1F	59696770	KJDHTLHSBJKSBL-UHFFFAOYSA-N	293.048	1.865	5	40	CDBB	
O=[N+]([O-])c1cn(Cc2nc(-c3ccsc3)no2)cn1	12535425	NVBWFXVGMLBHBT-UHFFFAOYSA-N	277.265	1.951	5	40	CDBB	
Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])ccc2=O)no1	14053601	FMXOWCOMXAAHJO-UHFFFAOYSA-N	292.251	1.082	5	40	CDBB	
CCOC(=O)c1cc2c(=O)oc3ccccc3c2[nH]c1=O	3850686	FUPSPZFGGDYSEW-UHFFFAOYSA-N	285.255	1.811	5	40	CDBB	
COC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C	27939785	OONKLIXZGJDOIB-MRVPVSSYSA-N	288.325	1.216	5	40	CDBB	
CCCNC(=O)C1CCN(c2c([N+](=O)[O-])ncn2C)CC1	12735356	FAAYMPVUAQZTJJ-UHFFFAOYSA-N	295.343	1.071	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1N[C@H]1C=CS(=O)(=O)C1	12734190	CBJCSNMTRHFOCI-QMMMGPOBSA-N	272.257	1.457	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)/N=c1/cccc[nH]1	69581984	ISPDRJKAECGXEI-UHFFFAOYSA-N	293.304	1.521	5	40	CDBB	
C[C@@H](Cn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1)C(=O)O	408715942	GZWQENOQFFUOAI-YFKPBYRVSA-N	297.189	1.453	5	40	CDBB	
O=c1cc(COc2cccnc2[N+](=O)[O-])nc2ccccn12	15333476	MPZCALAIFMWBRA-UHFFFAOYSA-N	298.258	1.577	5	40	CDBB	
O=C(O)[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1	37563172	OUKNJJYTMXYLOZ-SSDOTTSWSA-N	270.266	1.346	5	40	CDBB	
COC(CNc1ccc(C(C)=O)cc1[N+](=O)[O-])OC	78575656	AXUGGDSKRXWVKR-UHFFFAOYSA-N	268.269	1.828	5	40	CDBB	
CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1	96501987	ZAZKJVSNTXEBGS-UHFFFAOYSA-N	298.364	1.853	5	40	CDBB	
CCO[C@@H](C)c1nc(Cn2cnc([N+](=O)[O-])n2)cs1	96418336	LSAVNGYNZWKDBO-ZETCQYMHSA-N	283.313	1.789	5	40	CDBB	
CC(=O)N/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O	4695238	DJEQBISYZQQEJZ-WTKPLQERSA-N	284.655	1.810	5	40	CDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N(CCO)C1CC1	35238417	IUACZXHZAMWUGC-UHFFFAOYSA-N	265.269	1.583	5	40	CDBB	
CC[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2739562	PGTVBDMGASSYQV-QMMMGPOBSA-N	281.268	1.960	5	40	CDBB	
Cn1c(=O)oc2cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c21	35324298	WYCUJAAOXIRJAZ-UHFFFAOYSA-N	273.588	1.601	5	40	CDBB	
C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)N1CCNC1=O	12777176	REJKJSVZIHOSQR-ZETCQYMHSA-N	297.242	1.053	5	40	CDBB	
O=c1[nH]c2c([N+](=O)[O-])nccc2n1-c1ccncc1	5375958	ZHDZUUBDLRRAFY-UHFFFAOYSA-N	257.209	1.017	5	40	CDBB	
Cc1nn(C)c(N[C@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-]	80571375	ZAPKQKABKTVMPC-RYUDHWBXSA-N	288.307	1.707	5	40	CDBB	
Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1Cl	8295765	KRGISMPZWVMWCY-UHFFFAOYSA-N	295.686	1.787	5	40	CDBB	
Cc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)nc1	9602278	QRBRZCIIHMWVGH-UHFFFAOYSA-N	289.295	1.750	5	40	CDBB	
O=[N+]([O-])c1ccc(N(CCO)Cc2cccnc2)cn1	95408842	BAVQRDVXUJLSGC-UHFFFAOYSA-N	274.280	1.384	5	40	CDBB	
O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]1CO	74764175	MHYSQDWJAIKPBD-LBPRGKRZSA-N	293.323	1.304	5	40	CDBB	
Cc1c(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)cnn1C	40082964	CBKRICVCRMBPTH-UHFFFAOYSA-N	288.307	1.909	5	40	CDBB	
Cn1ccs/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	6334999	FLQJAHIZYSXJFA-QXMHVHEDSA-N	263.278	1.736	5	40	CDBB	
COc1ccc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1OC	94876	QQQDHBUWOFWZEF-ZANVPECISA-N	280.280	1.300	5	40	CDBB	
O=[N+]([O-])c1ccc(C(=S)N2CCOCC2)cc1	34133	QEOQJPMQKAEYRZ-UHFFFAOYSA-N	252.295	1.603	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(O)CC1	29327794	REOCALHUMSVCMD-UHFFFAOYSA-N	280.280	1.343	5	40	CDBB	
O=C(O)CCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	8732320	VIGBAMFCRNTCDM-UHFFFAOYSA-N	256.189	1.537	5	40	CDBB	
COC(=O)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	12545009	UAPQITDHAYEVJT-UHFFFAOYSA-N	295.295	1.076	5	40	CDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCS(=O)CC1	95462225	PSLDMZWOTMCABO-UHFFFAOYSA-N	297.336	1.627	5	40	CDBB	
O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[C@@H]1CCOC1	95974591	DEWVHKYWRSHQGX-VIFPVBQESA-N	291.263	1.448	5	40	CDBB	
CCOC(=O)C[C@@H](C)CNc1c([N+](=O)[O-])c(C)nn1C	89650164	FJQFOOCPSLBUAG-MRVPVSSYSA-N	284.316	1.638	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)N(Cc1nnnn1C1CC1)CC2	195561261	NNUFZDHGTCOMTA-UHFFFAOYSA-N	286.295	1.479	5	40	CDBB	
Cc1cc([N+](=O)[O-])cc(Cl)c1NCCOCCO	225543376	TVDIPMAGTCTFCU-UHFFFAOYSA-N	274.704	1.977	5	40	CDBB	
CC[C@H](NC(=O)COC)c1cccc([N+](=O)[O-])c1	90467525	MBXPVIBLMFCWMM-NSHDSACASA-N	252.270	1.809	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])cc2n[nH]c(Br)c12	14983683	XICVTHNEBURAOZ-UHFFFAOYSA-N	286.041	1.932	5	40	CDBB	
O=[N+]([O-])c1ccc(N[C@@H]2CCS(=O)(=O)C2)c(F)c1	20474762	PKVUZBXAWDOQEG-SSDOTTSWSA-N	274.273	1.333	5	40	CDBB	
O=C1O[C@H](C[N+](=O)[O-])C(Cl)=C1Oc1ccccc1	101463400	VXSOBAMJRBJOEV-MRVPVSSYSA-N	269.640	1.718	5	40	CDBB	
COC(=O)[C@H](C)OC(=O)CCNc1ccccc1[N+](=O)[O-]	11310818	OQGNKUNVPMNGID-VIFPVBQESA-N	296.279	1.502	5	40	CDBB	
CC(C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	12799353	DUFLIRCVBWUROB-UHFFFAOYSA-N	280.280	1.666	5	40	CDBB	
C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccsc1	84638476	YOPXOIVIDDPXOE-GFCCVEGCSA-N	296.304	1.887	5	40	CDBB	
COc1ccc([C@@H]2NC(=O)CS2)cc1[N+](=O)[O-]	39379076	UTJMAVQIIGGKHR-SNVBAGLBSA-N	254.267	1.465	5	40	CDBB	
COC[C@@]1(C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	66083803	KIHLUVAXMVQMBF-CYBMUJFWSA-N	293.279	1.052	5	40	CDBB	
O=[N+]([O-])c1cncc(Br)c1NCCO	96487526	CLIGWEGKORZXQG-UHFFFAOYSA-N	262.063	1.157	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nc(O)c3nccnc3n2)cc1	71255926	NUPZFMRBADUCGB-UHFFFAOYSA-N	269.220	1.701	5	40	CDBB	
O=C(O)CSCC(=O)c1ccc([N+](=O)[O-])cc1	6321871	YEEKKODMHRGAAU-UHFFFAOYSA-N	255.251	1.595	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1	5219318	XAZOZCZNOBUXGE-ZETCQYMHSA-N	266.305	1.245	5	40	CDBB	
Cn1ccs/c1=N\C(=O)c1ccc([N+](=O)[O-])o1	17821871	DCCKNHAUKSMADT-KTKRTIGZSA-N	253.239	1.329	5	40	CDBB	
COc1ccccc1C1OCC(C)([N+](=O)[O-])CO1	1677494	RMFGKBNVDZDQRG-UHFFFAOYSA-N	253.254	1.776	5	40	CDBB	
Cc1cc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)on1	32778964	LFYIOLBGBLBNCH-UHFFFAOYSA-N	275.220	1.847	5	40	CDBB	
Cn1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1	2767976	ULLJLPIKCYAZCB-QPJJXVBHSA-N	286.291	1.658	5	40	CDBB	
Nc1cc(SCCC(=O)O)c([N+](=O)[O-])cc1[N+](=O)[O-]	4607852	AYEZSELBDQMHQT-UHFFFAOYSA-N	287.253	1.652	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCCNC1	70120606	SHBVJEHJRUFJQJ-SNVBAGLBSA-N	299.352	1.015	5	40	CDBB	
Cn1ccc(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1	95466561	QIWMWLWTMVACPF-UHFFFAOYSA-N	276.252	1.268	5	40	CDBB	
CO[C@@]1(C)C[C@@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C	73275244	CZNFCTKYXJQOQN-OQPBUACISA-N	296.327	1.560	5	40	CDBB	
CCCCN(CC(N)=O)C(=O)c1ccc(C)c([N+](=O)[O-])c1	40105132	QBUSOZBUNZNCOD-UHFFFAOYSA-N	293.323	1.631	5	40	CDBB	
CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1	37285937	XUIVUVQNCFIWOM-UHFFFAOYSA-N	267.260	1.122	5	40	CDBB	
CC(C)n1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1	1428951	JDFRYPGSVVSNRJ-UHFFFAOYSA-N	278.272	1.207	5	40	CDBB	
CC(C)C[C@H](NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1	2651361	HDRJCADHOLXIEX-NSHDSACASA-N	294.311	1.616	5	40	CDBB	
CCOC(=O)Cn1c(=N)sc2cc([N+](=O)[O-])ccc21	100968693	WYIOYCFREIYOLN-UHFFFAOYSA-N	281.293	1.654	5	40	CDBB	
CC(=O)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	48345406	CXHICXKJPXCWKM-ZETCQYMHSA-N	251.242	1.058	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1OCC1CCNCC1	14631515	IOMCRHRJCLBXAE-UHFFFAOYSA-N	266.297	1.982	5	40	CDBB	in-vitro
COC(=O)c1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1	75610053	TUWJPKRBBUWBME-NXEZZACHSA-N	289.247	1.656	5	40	CDBB	
CC[C@@H](C)[C@H](Nc1ncc(C)cc1[N+](=O)[O-])C(N)=O	95975041	UZQWJUTWMCTEAT-SCZZXKLOSA-N	266.301	1.610	5	40	CDBB	
CCC(=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])o1	20496244	KYHWBRYDVBPEBM-UHFFFAOYSA-N	262.225	1.993	5	40	CDBB	
CCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCNCC1	70461619	WWGSNUPSNSBSFZ-UHFFFAOYSA-N	293.323	1.571	5	40	CDBB	
C[C@H](N)c1n[nH]c(COc2cccc([N+](=O)[O-])c2)n1	95534670	WRNFVKDXGRZFIG-ZETCQYMHSA-N	263.257	1.312	5	40	CDBB	
C[C@H]1[C@H](C)CCN1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	253369910	JSOJFPRXULAQEF-BDAKNGLRSA-N	299.352	1.477	5	40	CDBB	
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)C(F)F	604221707	YPDYDODSWWDXIR-UHFFFAOYSA-N	255.173	1.730	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1	8128645	WNZDSVLIJLAHRO-SECBINFHSA-N	281.268	1.712	5	40	CDBB	
CCC(=O)NCC(=O)OCc1ccccc1[N+](=O)[O-]	6050622	YIZFKQYUTAJQPR-UHFFFAOYSA-N	266.253	1.164	5	40	CDBB	
CCCOc1ccc(CN(CCO)CCO)cc1[N+](=O)[O-]	1843330	XGGXRCYRQWIEGS-UHFFFAOYSA-N	298.339	1.170	5	40	CDBB	
C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)O1	12691575	BRDUDGLBRLNKFN-AOOOYVTPSA-N	293.323	1.303	5	40	CDBB	
CS(=O)(=O)c1ccc(NC2CCNCC2)c([N+](=O)[O-])c1	4216122	ULSPPJWACQMNOF-UHFFFAOYSA-N	299.352	1.162	5	40	CDBB	
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CCOC1	71799845	DOVKVHUOVYRZPT-VHSXEESVSA-N	276.292	1.909	5	40	CDBB	
O=[N+]([O-])c1cc(Br)cnc1N1CCCO1	96501447	OFYCNGXIGPVLOB-UHFFFAOYSA-N	274.074	1.894	5	40	CDBB	
O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2[N+](=O)[O-]	35682713	BDKYRKLKQLSJOI-SNVBAGLBSA-N	279.296	1.306	5	40	CDBB	
CC(C)[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1	37668459	KRDOWGYUBNAGFF-NSHDSACASA-N	251.286	1.194	5	40	CDBB	
C[C@@](Cl)([C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96520246	CVQBNIFMONIZQY-ZJUUUORDSA-N	293.728	1.628	5	40	CDBB	
O=[N+]([O-])c1cc(F)cc2c1NC(Cl)=NS2(=O)=O	95096756	HTEUUORMBBCZND-UHFFFAOYSA-N	279.636	1.443	5	40	CDBB	
CCCNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	47340211	VAGQXEOZLFMFAC-UHFFFAOYSA-N	279.252	1.029	5	40	CDBB	
Cc1nc(NCc2ccc(C)c([N+](=O)[O-])c2)n(C)n1	97147967	HSVOHOBZHZXDBV-UHFFFAOYSA-N	261.285	1.952	5	40	CDBB	
O=C(O)c1nn(COc2ccccc2)cc1[N+](=O)[O-]	2535987	QVDOFIKOCKSAOS-UHFFFAOYSA-N	263.209	1.526	5	40	CDBB	
COC(=O)C1=NO[C@H](COc2ccc([N+](=O)[O-])cc2)C1	6379204	GFSRCIUMLTTXQO-JTQLQIEISA-N	280.236	1.292	5	40	CDBB	
COc1ccc(COC[C@@H](O)C[N+]2(C)CCOCC2)cc1	3065920	RATAFUMJRBHDMX-HNNXBMFYSA-N	296.387	1.050	5	40	CDBB	
O=[N+]([O-])c1cnc2[nH]c(/C=C/c3ccccc3)n[n+]2c1	101412470	NPDVPUYJZQTYKC-VOTSOKGWSA-O	268.256	1.622	5	40	CDBB	
C[C@@H](O)CNc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12	5561591	KTWZRLICCCALRC-MRVPVSSYSA-N	277.280	1.239	5	40	CDBB	
O=C(O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F	4710363	SDIANLQYYYDMEV-SNVBAGLBSA-N	254.217	1.787	5	40	CDBB	
CCOC(=O)Cn1cc(Br)c([N+](=O)[O-])n1	4811655	MWMHNBUQILJZKY-UHFFFAOYSA-N	278.062	1.117	5	40	CDBB	
O=C(Nc1ncc([N+](=O)[O-])s1)c1csnn1	11914408	YZRFPZADHNAXRI-UHFFFAOYSA-N	257.256	1.155	5	40	CDBB	
Cc1nnc(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)o1	24914676	IKBRNFPJFLYCOK-UHFFFAOYSA-N	277.236	1.952	5	40	CDBB	
O=C1C[C@H]([C@@H]2CCCCN2c2ncccc2[N+](=O)[O-])CN1	108147486	XEHTUGNHZUCQHA-QWRGUYRKSA-N	290.323	1.485	5	40	CDBB	
CCOc1ccc(C(=O)Nc2nonc2C)cc1[N+](=O)[O-]	58161417	SIKXJDAGTZXGGH-UHFFFAOYSA-N	292.251	1.937	5	40	CDBB	
COc1ccc(C(=O)Nc2ncccc2O)cc1[N+](=O)[O-]	12824384	DUQYESFONSDFEP-UHFFFAOYSA-N	289.247	1.956	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCn1cccn1	24773118	HTLMBBVJTUCMTC-UHFFFAOYSA-N	288.307	1.540	5	40	CDBB	
CCn1c(=O)c(O)nc2c(=O)oc3ccccc3c21	9605788	JCBVPTSZIDEVKA-UHFFFAOYSA-N	258.233	1.228	5	40	CDBB	
COCCSCc1ccc(C(N)=O)cc1[N+](=O)[O-]	78555684	RYTOZWYSHXXWCK-UHFFFAOYSA-N	270.310	1.573	5	40	CDBB	
NC(=O)n1c2ccccc2c(=O)c(=O)c2ccccc21	77301621	GUBHPEHRMYFCMM-UHFFFAOYSA-N	266.256	1.442	5	40	CDBB	in-vitro
CCO[C@H](C)c1nc(Cn2cnc([N+](=O)[O-])n2)cs1	96418337	LSAVNGYNZWKDBO-SSDOTTSWSA-N	283.313	1.789	5	40	CDBB	
COc1cc(N2CCNC[C@@H]2C)ccc1[N+](=O)[O-]	91356013	KDXPBEPJFGKOLA-VIFPVBQESA-N	251.286	1.402	5	40	CDBB	
C[C@@H](CO)[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1	84640237	GSIUPQWFMIZYAV-VHSXEESVSA-N	266.297	1.270	5	40	CDBB	
Cc1ccc(N[C@]2(C)CS(=O)(=O)C[C@H]2[N+](=O)[O-])cc1	5337578	NCFNSTCXMUWFPM-VXGBXAGGSA-N	284.337	1.239	5	40	CDBB	
O=C(O)Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	2504550	CWBAUWVKPNAFKN-UHFFFAOYSA-N	260.589	1.784	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C)C1	2780282	WUWPXGSLZUFEAJ-VIFPVBQESA-N	266.301	1.683	5	40	CDBB	
O=c1c2ccccc2oc2nc3n(c(=O)c12)CCS3	529727	XFOQYIMZUVGKTA-UHFFFAOYSA-N	272.285	1.609	5	40	CDBB	
Cc1cc(NC(=O)[C@@H](C)Cn2nc([N+](=O)[O-])cc2C)no1	2790926	DNNZBCJIYCHKMM-ZETCQYMHSA-N	293.283	1.671	5	40	CDBB	
NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O	3268006	DGFKDNXGDXZIMP-YFHOEESVSA-N	293.304	1.590	5	40	CDBB	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCSC[C@H]12	36351034	FLBRQVBTNGJUMJ-ZYHUDNBSSA-N	294.332	1.774	5	40	CDBB	
CC(=O)N1CCN(c2sc([N+](=O)[O-])cc2C)CC1	48311321	WIQLDCLUKSZWIT-UHFFFAOYSA-N	269.326	1.633	5	40	CDBB	
O=C(COC(=O)c1ccccc1[N+](=O)[O-])NC1CCCC1	3502630	CMBNFSOPPFHEOW-UHFFFAOYSA-N	292.291	1.810	5	40	CDBB	
CCN(CC)C(=O)CNc1ncc([N+](=O)[O-])cc1C	69744236	JOKBMNUFYARXOK-UHFFFAOYSA-N	266.301	1.579	5	40	CDBB	
C[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1	5939015	FPUWECIOKZMWDX-VIFPVBQESA-N	263.297	1.930	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)CN(C)C1=S	95218159	OALBYURFXUZODI-UHFFFAOYSA-N	265.294	1.467	5	40	CDBB	
CC(C)Cn1ccnc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	58421737	UUHXUTZNZIYIDA-IUCAKERBSA-N	252.274	1.143	5	40	CDBB	
O=C(CCn1cccn1)Nc1cc([N+](=O)[O-])ccc1O	89531025	DVOPLSHIFUJUDL-UHFFFAOYSA-N	276.252	1.526	5	40	CDBB	
CCONC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	33226706	DHLYRNOJGVWACQ-UHFFFAOYSA-N	276.252	1.462	5	40	CDBB	
CCNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1	32777307	YAZVZBMRPJGKAC-UHFFFAOYSA-N	281.293	1.964	5	40	CDBB	
O=C(Nc1nnn[nH]1)c1cc(Cl)ccc1[N+](=O)[O-]	2741770	GHIWEJDFSBLCBI-UHFFFAOYSA-N	268.620	1.014	5	40	CDBB	
Cc1c(CNC(=O)c2cccc([N+](=O)[O-])c2)cnn1C	2767312	KOYGCSBILQLISU-UHFFFAOYSA-N	274.280	1.567	5	40	CDBB	
O=C1CCCN1CCCNc1ncccc1[N+](=O)[O-]	23466494	JMVIDIXCDUGPMT-UHFFFAOYSA-N	264.285	1.414	5	40	CDBB	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1	10890375	NFFXIVXSFWSMCM-SKDRFNHKSA-N	292.291	1.757	5	40	CDBB	
O=C(CO)Nc1ccc([N+](=O)[O-])cc1Br	4986825	IWASTDOOPRPJFS-UHFFFAOYSA-N	275.058	1.288	5	40	CDBB	
CN(Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)O	71908312	NODYTRCAGXOJLM-UHFFFAOYSA-N	256.277	1.937	5	40	CDBB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C)c1	25306693	UXFMSLPHNITROB-UHFFFAOYSA-N	289.295	1.647	5	40	CDBB	
Cc1cnc(OCCCC(=O)N(C)C)c([N+](=O)[O-])c1	188053176	ZBKXQTWJJONVPM-UHFFFAOYSA-N	267.285	1.545	5	40	CDBB	
CCOC(=O)c1cc(N)n(-c2ccccc2[N+](=O)[O-])n1	71978710	XQRUOVVFRIVGAX-UHFFFAOYSA-N	276.252	1.539	5	40	CDBB	
CC1=C[C@@H](C)[C@H]2C(=O)N(CCC[N+](C)(C)C)C(=O)[C@@H]2C1	18061786	GOEBHGSAJXXUNJ-MGPQQGTHSA-N	279.404	1.670	5	40	CDBB	
CCOC(=O)[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1	3068443	DHPDDADZYCRALO-LBPRGKRZSA-N	292.291	1.763	5	40	CDBB	
C[C@H](O)CNc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12	5561587	KTWZRLICCCALRC-QMMMGPOBSA-N	277.280	1.239	5	40	CDBB	
O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1	7435766	FAMJBEHOIIDHSA-UHFFFAOYSA-N	263.297	1.420	5	40	CDBB	
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1	67799236	GDLFHXXLAOQHDT-MRVPVSSYSA-N	283.715	1.682	5	40	CDBB	
O=[N+]([O-])c1cn(CC(F)F)nc1Br	675031052	DTMIUFIPRPBIKK-UHFFFAOYSA-N	256.006	1.819	5	40	CDBB	
COC(=O)C(CCc1ccccc1[N+](=O)[O-])C(=O)OC	1666541	ZVYKJDZOCVPZFU-UHFFFAOYSA-N	281.264	1.490	5	40	CDBB	
NC(=O)Cn1c(=O)c2ccccc2c2ccccc2c1=O	7615714	HBHAVYALGSWOSP-UHFFFAOYSA-N	280.283	1.000	5	40	CDBB	
CN(C)C(=O)c1cccc(Oc2c([N+](=O)[O-])ncn2C)c1	32923609	QZVKYLVPGUIPOQ-UHFFFAOYSA-N	290.279	1.822	5	40	CDBB	
O=C(NCc1cccnc1)NCc1ccccc1[N+](=O)[O-]	42894403	FUCRBNMWVDTSKO-UHFFFAOYSA-N	286.291	1.989	5	40	CDBB	
CCOC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	58420691	NBHVNGRYOHBFTK-UHFFFAOYSA-N	261.237	1.957	5	40	CDBB	
O=c1[nH]cnc2c1cnn2-c1ccccc1[N+](=O)[O-]	13410809	KXVMVMJFTTWLLT-UHFFFAOYSA-N	257.209	1.017	5	40	CDBB	
CCN(CC)c1nc(N2CCOCC2)nc(C)c1[N+](=O)[O-]	4143221	LGYZGWGIDIPOLT-UHFFFAOYSA-N	295.343	1.376	5	40	CDBB	
CC(C)Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	6939859	CCEADYZDOBHDRL-UHFFFAOYSA-N	259.283	1.786	5	40	CDBB	
Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cn2)n1	7499973	FXVSBLKEUAAYED-UHFFFAOYSA-N	264.266	1.533	5	40	CDBB	
CO[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C	71799835	SPNPMGZIRCBOCC-DTWKUNHWSA-N	264.281	1.907	5	40	CDBB	
Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2)cc1[N+](=O)[O-]	84189979	NMVQOVCVHYKWRT-JQWIXIFHSA-N	277.324	1.832	5	40	CDBB	
Cn1nc([N+](=O)[O-])c2c([N+](=O)[O-])cc([N+](=O)[O-])cc21	97965982	BHNKQVQBLLWPJX-UHFFFAOYSA-N	267.157	1.298	5	40	CDBB	
CC(=O)OCC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-]	6418719	FKNXOBQTRDQPSY-UHFFFAOYSA-N	266.253	1.713	5	40	CDBB	
CC(C)(CNc1ncccc1[N+](=O)[O-])N1CCOCC1	22225869	DRNXLJLPMWFXBO-UHFFFAOYSA-N	280.328	1.513	5	40	CDBB	
C[C@@H](C[N+](C)(C)C)OC(=O)c1ccc2c(c1)OCO2	554726	WFVNPXZPQMSPDQ-JTQLQIEISA-N	266.317	1.667	5	40	CDBB	
Cc1nn([C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-]	2775072	RRKPIDIJAOYBOD-VIFPVBQESA-N	252.274	1.283	5	40	CDBB	
CN(CC(=O)NC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-]	96430691	BZUORNIWOGASRX-LLVKDONJSA-N	293.323	1.184	5	40	CDBB	
Cc1nccn1C[C@H](O)COc1ccc([N+](=O)[O-])cc1	72702	UODDSPDTYHLKEF-LBPRGKRZSA-N	277.280	1.540	5	40	CDBB	
Cc1nn(C)c(C(=O)N[C@H](C)C(C)(C)C)c1[N+](=O)[O-]	2778631	YOQNHGHRWKVVER-MRVPVSSYSA-N	268.317	1.801	5	40	CDBB	
O=[N+]([O-])c1ccccc1CN1CCC[C@H](CO)C1	23114878	UDGNNSUSQFPLEM-NSHDSACASA-N	250.298	1.799	5	40	CDBB	
C[C@H](O)CCNc1ccc(C(=O)O)cc1[N+](=O)[O-]	42783887	HTTOYWKIDXAZTD-ZETCQYMHSA-N	254.242	1.476	5	40	CDBB	
CC[C@@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)O	95970158	IMBUAWRUGSEIQE-RDDDGLTNSA-N	295.295	1.406	5	40	CDBB	
CNC(=O)c1ccc(NC(C)(C)[C@@H](C)O)c([N+](=O)[O-])c1	89598316	AWDGOZHDJKAILM-MRVPVSSYSA-N	281.312	1.526	5	40	CDBB	
Cc1c(C(=O)NC2CCN(C)CC2)cccc1[N+](=O)[O-]	47829181	WZZCAFAITKDSPQ-UHFFFAOYSA-N	277.324	1.727	5	40	CDBB	
CC[C@H](C(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96518038	PBGSZQZRRINURI-SNVBAGLBSA-N	271.294	1.601	5	40	CDBB	
NC(=O)COc1cc(O)c2c(=O)c3ccccc3oc2c1	4090104	HFPPIBSQUZOTSN-UHFFFAOYSA-N	285.255	1.516	5	40	CDBB	biogenic
Cc1cnc(NC(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)s1	2791491	CTUIAKVMPPNXSJ-SSDOTTSWSA-N	295.324	1.831	5	40	CDBB	
CCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2742435	KCTPYGVMCTVJCN-UHFFFAOYSA-N	267.241	1.985	5	40	CDBB	
COC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	4050808	YUGMGDCKGOUDNO-NXEZZACHSA-N	294.307	1.995	5	40	CDBB	
CN(C)c1cc(N2CCOCC2)c([N+](=O)[O-])c2nonc12	4899095	HFIFBDBOCMLKJS-UHFFFAOYSA-N	293.283	1.034	5	40	CDBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCCCC1	15173440	IJUILLWNDLIIPG-UHFFFAOYSA-N	299.352	1.623	5	40	CDBB	
CN(C1CCC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	96001983	CSBBTLJCKDLZLA-UHFFFAOYSA-N	298.364	1.951	5	40	CDBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NCCn1cccc1	96449896	DOEZRMDVFCOWJL-UHFFFAOYSA-N	273.292	1.755	5	40	CDBB	
Cc1ccc(N2CCC(N)(CO)CC2)c([N+](=O)[O-])c1	95973721	OJNJVTRMHIUDEJ-UHFFFAOYSA-N	265.313	1.193	5	40	CDBB	
CC[C@H](CO)Nc1ccc(C(C)=O)cc1[N+](=O)[O-]	28498985	VPPPUDFRCBPGKB-SNVBAGLBSA-N	252.270	1.980	5	40	CDBB	
CNC(=O)[C@@H](Nc1ncccc1[N+](=O)[O-])C(C)(C)C	20387917	BFWXVCBTFKGWGW-SECBINFHSA-N	266.301	1.562	5	40	CDBB	
O=[N+]([O-])C[C@H](O[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	100988269	JFCCUOZCLVHJGY-QMMMGPOBSA-N	257.158	1.121	5	40	CDBB	
Cc1nn(C)cc1CNC(=O)c1cccc([N+](=O)[O-])c1	2767204	AUJXAFOBDXHWEL-UHFFFAOYSA-N	274.280	1.567	5	40	CDBB	
O=C(NCCNC1CC1)c1cc(Cl)ccc1[N+](=O)[O-]	54265664	KXFTYNPKIDVMNV-UHFFFAOYSA-N	283.715	1.730	5	40	CDBB	
COc1cc(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1C	77961176	ZCDGJVICAUHVBY-GHMZBOCLSA-N	265.265	1.712	5	40	CDBB	
O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1ccnc1	96009529	FOSGHMMAEBMIFR-SNVBAGLBSA-N	263.253	1.231	5	40	CDBB	
O=[N+]([O-])c1ccc(Br)cc1NC[C@@H](O)CO	85245578	MUVTVIJRXSTDOU-SSDOTTSWSA-N	291.101	1.122	5	40	CDBB	
C=CN1CC[C@@H](C(=O)c2ccccc2[N+](=O)[O-])C1=O	1772715325	WXBKQSRXPWOZDF-JTQLQIEISA-N	260.249	1.770	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1	5250765	FEYXCZODCCSZHN-UHFFFAOYSA-N	277.280	1.592	5	40	CDBB	
COC[C@@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	32804244	DYZVOBPZYAUDRF-SECBINFHSA-N	288.325	1.049	5	40	CDBB	
Nc1nc2c(N3CCOCC3)ccc([N+](=O)[O-])c2s1	20154736	YHAWKZRJTNWYEH-UHFFFAOYSA-N	280.309	1.623	5	40	CDBB	
O=[N+]([O-])c1ccc([C@H](O)CNc2ncccn2)cc1	44866710	AZZZVHHGLRQVKW-LLVKDONJSA-N	260.253	1.530	5	40	CDBB	
O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1CCO	36625068	DZQWRKAWQCGNIP-YFHOEESVSA-N	294.288	1.623	5	40	CDBB	
O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1O	34328127	CPSWRWYMQBAIDX-UHFFFAOYSA-N	263.003	1.971	5	40	CDBB	
O=C(O)c1cccc(I)c1[N+](=O)[O-]	113542449	WNAROBUTYHYZPW-UHFFFAOYSA-N	293.016	1.898	5	40	CDBB	
O=[N+]([O-])c1ccc(OS(=O)(=O)NCc2ccco2)cc1	5677066	DIWVQIVMDMUOJC-UHFFFAOYSA-N	298.276	1.601	5	40	CDBB	
Cc1c(NC(=O)N(C)C[C@H](C)C(N)=O)cccc1[N+](=O)[O-]	58342336	ZGYXTZXKEMAAAM-QMMMGPOBSA-N	294.311	1.488	5	40	CDBB	
COC(=O)[C@@H](C)OC(=O)CCNc1ccccc1[N+](=O)[O-]	11310822	OQGNKUNVPMNGID-SECBINFHSA-N	296.279	1.502	5	40	CDBB	
COc1ccc2cc3c(=O)n(C)cc(C=O)c3nc2c1	3886837	FPLJVDWWJHLCKO-UHFFFAOYSA-N	268.272	1.908	5	40	CDBB	
Cc1cn2nc(-n3cc([N+](=O)[O-])cn3)sc2n1	78990219	KCGLUZFQONLXQW-UHFFFAOYSA-N	250.243	1.193	5	40	CDBB	
O=[N+]([O-])c1cnc(N2CCC[C@@H]2CN2CCCCC2)nc1	160454320	UOVVKOQAEOXAEC-GFCCVEGCSA-N	291.355	1.840	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(Cl)c1	312551	WVNSWBCYNDAWLS-UHFFFAOYSA-N	281.659	1.478	5	40	CDBB	
COc1cc2c(cc1OC)[C@H](C)[N+](C)(CCO)CC2	4026021	QTDLNPKJXHKAKD-CHPOKUKFSA-N	266.361	1.760	5	40	CDBB	
C[C@@H](NC[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	90850143	IUCOROLDKWZBSJ-MFKMUULPSA-N	266.297	1.397	5	40	CDBB	
COC[C@@H](C)NC(=O)CSCc1ccc([N+](=O)[O-])cc1	408577266	XRFZJFCWOFFCHT-SNVBAGLBSA-N	298.364	1.979	5	40	CDBB	
O=C(O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	21008392	SZVPAVDMNNEMJR-UHFFFAOYSA-N	274.232	1.503	5	40	CDBB	
Cn1cnc(Sc2ncnc3nc[nH]c23)c1[N+](=O)[O-]	18190218	BMBCRDXNOOINCJ-UHFFFAOYSA-N	277.269	1.146	5	40	CDBB	
C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])cc1	69508245	PQBMAYFXASRMFB-PWSUYJOCSA-N	277.324	1.681	5	40	CDBB	
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC	63110917	ZSKQGDAGYNBORF-UHFFFAOYSA-N	259.649	1.862	5	40	CDBB	
C[C@H](CNCc1cccc([N+](=O)[O-])c1)[S@](C)=O	95436246	BCRLWBAEDAPCGP-VVVCHXIZSA-N	256.327	1.451	5	40	CDBB	
CCN(C[C@H](C)C(=O)OC)c1cc(C)c([N+](=O)[O-])cn1	96482722	MEEWBBIKBBYWFN-JTQLQIEISA-N	281.312	1.934	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)NC1CC1	31458789	XBHULQJOOSKXSV-UHFFFAOYSA-N	264.281	1.869	5	40	CDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N1	99329	CALXKFHEBRCNOE-KOLCDFICSA-N	254.673	1.936	5	40	CDBB	
C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[C@H]2CC[C@H]1C2	102592980	GRISJYFIOPYNHE-NAKRPEOUSA-N	292.339	1.883	5	40	CDBB	
O=C(O)C1=C[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1	100646384	FHEGNQAYWPIEPY-JTQLQIEISA-N	287.235	1.170	5	40	CDBB	
Cc1nn(C)c(N2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-]	47330953	YQGIBUNOBUEPST-YUMQZZPRSA-N	254.290	1.250	5	40	CDBB	
C[C@H]1C[C@@H](C)CN(C(=O)COc2cccnc2[N+](=O)[O-])C1	12486470	CGBWFWHAZKWCGC-PHIMTYICSA-N	293.323	1.873	5	40	CDBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](O)C1	35186965	LCRDIZMQCSXATE-KTRBRXNASA-N	276.292	1.591	5	40	CDBB	
C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(N)=O	35149164	JKKDOPZYNSBKJT-RXMQYKEDSA-N	277.202	1.899	5	40	CDBB	
COCCOCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	68010128	NRRITAMTHPXUKT-UHFFFAOYSA-N	288.687	1.850	5	40	CDBB	
CCOC(=O)[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C	78988266	NUPPYSGXPAPFOZ-SNVBAGLBSA-N	296.327	1.246	5	40	CDBB	
O=C1NC(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)N1	33401009	BNTIEQLGTBEYMO-XVNBXDOJSA-N	267.628	1.429	5	40	CDBB	
CCOC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	42898757	POQFVMSXRAAZML-UHFFFAOYSA-N	262.221	1.822	5	40	CDBB	
COc1cc(N[C@H]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-]	95429700	QJZFFNAJAUMUMW-ZJUUUORDSA-N	279.296	1.669	5	40	CDBB	
CCN(CC)c1cc(N2CCNCC2)c([N+](=O)[O-])cc1F	4571321	JVECBELGRWGPAO-UHFFFAOYSA-N	296.346	1.990	5	40	CDBB	
Cc1cc(O[C@@H](C)C(=O)N2CCNC2=O)ccc1[N+](=O)[O-]	8257036	JRSWMGRZHVSGST-VIFPVBQESA-N	293.279	1.222	5	40	CDBB	
CCN(CC)C[C@@H](C)NC(=O)c1nn(C)c(C)c1[N+](=O)[O-]	2781176	YSWHVJXIDFDNAD-SECBINFHSA-N	297.359	1.097	5	40	CDBB	
COC(=O)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]	3115689	YJZYOXXITVXNPD-UHFFFAOYSA-N	260.589	1.943	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCCC[C@@H]1C	7344463	OIBVFTPADWMEQY-GXSJLCMTSA-N	280.328	1.795	5	40	CDBB	
O=c1[nH]nc(CCCNc2ccc([N+](=O)[O-])cc2)[nH]1	79022789	ZFRHYLGFPXBRPZ-UHFFFAOYSA-N	263.257	1.051	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(N[C@@H](C(N)=O)C(C)C)c1	95975058	RQYPOIPCRMOQPE-LLVKDONJSA-N	251.286	1.825	5	40	CDBB	
O=C1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cn1	38877693	ZRBRCHDUESCYMY-UHFFFAOYSA-N	269.216	1.790	5	40	CDBB	
O=C(O)CC(=O)c1c(F)c(F)c(F)c(F)c1[N+](=O)[O-]	39953645	VBDBFFNBONCBTO-UHFFFAOYSA-N	281.117	1.809	5	40	CDBB	
CSC[C@@H](CCO)Nc1c([N+](=O)[O-])c(C)nn1C	77236960	HQYLISGHCGXACN-MRVPVSSYSA-N	274.346	1.163	5	40	CDBB	
CCS(=O)(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	96510166	VGKMGOIJEMBPNT-GHMZBOCLSA-N	255.295	1.885	5	40	CDBB	
O=C(NCC(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	96005769	ZDWYIOONFDSCMM-SNVBAGLBSA-N	299.233	1.469	5	40	CDBB	
C[C@@H]1CN(c2ccc(C(=O)O)cc2[N+](=O)[O-])C[C@@H](C)O1	15443276	MTYJFJLVTITZPT-RKDXNWHRSA-N	280.280	1.907	5	40	CDBB	
CCCn1nnnc1Cn1ncc2ccc([N+](=O)[O-])cc21	24776344	MPDJNQRSXRCCKC-UHFFFAOYSA-N	287.283	1.389	5	40	CDBB	
COCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	28027307	UJIOQBLIJVJVGC-UHFFFAOYSA-N	278.268	1.237	5	40	CDBB	
COc1ccc(C(=O)OCC(=O)NC2CC2)cc1[N+](=O)[O-]	2634412	BGOUMHXWVWBQCO-UHFFFAOYSA-N	294.263	1.039	5	40	CDBB	
C=Cn1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	10119603	ISPCPCIHAPJQFR-UHFFFAOYSA-N	274.240	1.243	5	40	CDBB	
CCN(CC)c1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-]	26508725	HAELTZFJKLDOPW-UHFFFAOYSA-N	282.256	1.448	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	3884509	QVXVAXLVFPLUDM-UHFFFAOYSA-N	266.253	1.218	5	40	CDBB	
CCOC(=O)c1nnc2ccc([N+](=O)[O-])cc2c1O	60131782	CQDHMEGGSXPPIN-UHFFFAOYSA-N	263.209	1.420	5	40	CDBB	
N[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21	195562265	HEDFEIAKBWDXRK-YUSALJHKSA-N	275.308	1.404	5	40	CDBB	
COC(=O)c1cc(Br)cc(N)c1[N+](=O)[O-]	5334936	IMNCHZVQLNMUKV-UHFFFAOYSA-N	275.058	1.726	5	40	CDBB	
COc1nc(OC)nc(Oc2ccc([N+](=O)[O-])cc2)n1	377005	FXGVDQULWPOXGW-UHFFFAOYSA-N	278.224	1.589	5	40	CDBB	
CC(C)c1csc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])n1	47248929	JOBAVFNAJHHINP-POYBYMJQSA-N	255.299	1.870	5	40	CDBB	
Nc1c(C(=O)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	5002620	NDCNGPHOLPSVIS-UHFFFAOYSA-N	294.267	1.711	5	40	CDBB	
O=[N+]([O-])c1ccccc1OS(=O)(=O)N1CCCCC1	15415843	VWBWXFFZVPJMPX-UHFFFAOYSA-N	286.309	1.704	5	40	CDBB	
CC(C)(O)CNc1cc(Cl)c2nonc2c1[N+](=O)[O-]	9134727	IWYJPPJPRBTXCV-UHFFFAOYSA-N	286.675	1.967	5	40	CDBB	
COc1ccc(NC(=O)NCC(F)F)cc1[N+](=O)[O-]	96008051	DQSAGDHBEDSCRD-UHFFFAOYSA-N	275.211	1.990	5	40	CDBB	
CCN(CC)[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O	107843942	PWJPXQUHAZUZRK-GFCCVEGCSA-N	266.297	1.932	5	40	CDBB	
CCc1nc(C)cn1S(=O)(=O)c1ccccc1[N+](=O)[O-]	263835	OUWKMYDBGTWTGQ-UHFFFAOYSA-N	295.320	1.899	5	40	CDBB	
Cc1cc(Cl)c([N+](=O)[O-])c(P(=O)(O)O)c1	1870307	FIGUEWSJNBBMRU-UHFFFAOYSA-N	251.562	1.360	5	40	CDBB	
CC1=C([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C	3124909	JJHPPFAYJBSFNS-SNVBAGLBSA-N	292.251	1.799	5	40	CDBB	
COC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1	3883358	HKORQLPDNXLTAL-UHFFFAOYSA-N	264.281	1.984	5	40	CDBB	
C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)NC1CCCC1	49056004	MHEUIKMDJVUDAX-SECBINFHSA-N	278.312	1.849	5	40	CDBB	
Cn1nccc1C(=O)OCc1ccc([N+](=O)[O-])cc1	4735013	TYKXQRPSTXIHEJ-UHFFFAOYSA-N	261.237	1.685	5	40	CDBB	
O=[N+]([O-])c1ccc(NCC2(O)CCSCC2)nc1	71915164	FSXBIFUMFRAVHG-UHFFFAOYSA-N	269.326	1.660	5	40	CDBB	
C[N+](C)([O-])CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O	28818003	LJUFWPUIUNYNJK-UHFFFAOYSA-N	299.330	1.592	5	40	CDBB	in-vitro
Cc1n[nH]c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O	97079703	GFUMKKLXBUIYQB-UHFFFAOYSA-N	276.252	1.893	5	40	CDBB	
Cn1ccc(OCc2ccccc2)c([N+](=O)[O-])c1=O	1776011070	WSAYYQRFSYTJGB-UHFFFAOYSA-N	260.249	1.873	5	40	CDBB	
C[N+](C)(C)c1ncnc2c1ncn2[C@H]1CCCCO1	1684489	CSZQANOPEOXSKZ-SNVBAGLBSA-N	262.337	1.722	5	40	CDBB	in-vitro
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)O)c1[N+](=O)[O-]	2525026	IDXQNVNKGCTBKD-UHFFFAOYSA-N	262.199	1.058	5	40	CDBB	
CCCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	5244625	VNLOJDAGYVTFRT-SECBINFHSA-N	279.296	1.239	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(=O)[nH]c1	72288696	DXBCLQGVFYJBHX-UHFFFAOYSA-N	287.275	1.142	5	40	CDBB	
CCNC(=O)N1CCN(c2nccc(C)c2[N+](=O)[O-])CC1	79111632	VCDADZSBCFOXCC-UHFFFAOYSA-N	293.327	1.150	5	40	CDBB	
CCOC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2C)C1	45953581	NTAZPWNVDSTFNX-SNVBAGLBSA-N	292.291	1.819	5	40	CDBB	
C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])[C@@H]1C	97376208	JSOJFPRXULAQEF-RKDXNWHRSA-N	299.352	1.477	5	40	CDBB	
C[C@H]1CCOCCN1C(=O)c1cc([N+](=O)[O-])ccc1N	195577289	VPWHUKQVZYWAOB-VIFPVBQESA-N	279.296	1.428	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(C(=O)Nc2nnc(C3CC3)s2)n1	2771017	GNVIQKDHNJIGIE-UHFFFAOYSA-N	294.296	1.310	5	40	CDBB	
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)NC1CCCC1	2776728	FYTMCWXLTXDSJQ-UHFFFAOYSA-N	286.719	1.894	5	40	CDBB	
O=C(O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1	3748138	ZIYBPDLTFLTPFX-NSHDSACASA-N	250.254	1.644	5	40	CDBB	
C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	6120406	XCCVGYIGJXTELY-SNVBAGLBSA-N	279.296	1.015	5	40	CDBB	
COc1c(C=O)c([N+](=O)[O-])c(OC)c2c1OCO2	34929228	PAAPEFSDTHDZHB-UHFFFAOYSA-N	255.182	1.153	5	40	CDBB	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cnn(C)c1	195566545	YNTNMMUTOBDIHL-MRVPVSSYSA-N	289.295	1.402	5	40	CDBB	
COC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1OC	90513234	IHQKJDKMQBJBML-UHFFFAOYSA-N	260.633	1.626	5	40	CDBB	
CCCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	5250770	LWYXZDYRNIYCRU-UHFFFAOYSA-N	265.269	1.450	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CCCC1	33807	TWHFIQZDJROTNP-UHFFFAOYSA-N	252.274	1.159	5	40	CDBB	
CCn1c(CCn2nc(C)c([N+](=O)[O-])c2C)n[nH]c1=S	2573486	UXYOJOIAWHHPQO-UHFFFAOYSA-N	296.356	1.925	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CCCO1	2779604	LYJQSYDBFJAZPH-WPRPVWTQSA-N	282.300	1.109	5	40	CDBB	
O=C(NC1CCCC1)c1ccc([N+](=O)[O-])c(O)c1	35362632	NIPVJPBRODOVKO-UHFFFAOYSA-N	250.254	1.973	5	40	CDBB	
Cc1cnc(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)cn1	58194416	PAWSNZKEFQLCNW-UHFFFAOYSA-N	286.291	1.965	5	40	CDBB	
O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccon3)C2)nc1	72665345	NQPAFOYTBXDCRV-SNVBAGLBSA-N	289.295	1.664	5	40	CDBB	
Nc1nc(N)nc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1	5891162	ZCRLURDUZIWBAW-UHFFFAOYSA-N	266.648	1.265	5	40	CDBB	
CC(=O)N1N=C(N)S[C@H]1c1cccc([N+](=O)[O-])c1	482250	UMBZQBWEMSYJEI-VIFPVBQESA-N	266.282	1.418	5	40	CDBB	
Cc1cc(OCC(=O)NC[C@H]2CCCO2)ccc1[N+](=O)[O-]	1284486	YHAXLQOALPERAN-GFCCVEGCSA-N	294.307	1.577	5	40	CDBB	
C[C@@H](Sc1ccccc1)C(CO)(CO)[N+](=O)[O-]	6442808	XUZIWQRNOYKHCT-SECBINFHSA-N	257.311	1.167	5	40	CDBB	
COc1cc([C@@H](CC(=O)O)C[N+](=O)[O-])cc(OC)c1OC	57628675	IXSGPLORKAWRRK-VIFPVBQESA-N	299.279	1.547	5	40	CDBB	
O=[N+]([O-])c1ccsc1NC[C@H]1CN2CCC[C@H]2CO1	108329606	DYMYCDDBKOLASH-UWVGGRQHSA-N	283.353	1.931	5	40	CDBB	
Nc1nc(N2CCc3ccccc3C2)ncc1[N+](=O)[O-]	48543750	ZXZLCUNEIDJOGQ-UHFFFAOYSA-N	271.280	1.530	5	40	CDBB	
COCCNc1ccc(C(=O)OC)cc1[N+](=O)[O-]	19421000	ZNJGNOVFPXLVJN-UHFFFAOYSA-N	254.242	1.440	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nc([C@H]3CCOC3)no2)cc1O	97102711	YGZJPNKKXRCOQK-QMMMGPOBSA-N	277.236	1.854	5	40	CDBB	
CN(C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	89314333	NJXUFHDVGIYUSY-UHFFFAOYSA-N	276.296	1.368	5	40	CDBB	
CCOC(=O)[C@@H]1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1	98072898	ZHAPKBCTYLNTEZ-WDEREUQCSA-N	282.321	1.862	5	40	CDBB	
CNc1ccc(CN[C@@H]2CCCNC2=O)cc1[N+](=O)[O-]	96402780	VJGLBYUFDBZPPA-LLVKDONJSA-N	278.312	1.005	5	40	CDBB	
O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cccc(O)c1	343042838	YFMWRWWIKISZCG-PLNGDYQASA-N	275.220	1.672	5	40	CDBB	
C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc([N+](=O)[O-])cn1	40549063	ZLXBGEVVIHWHPB-DTWKUNHWSA-N	264.285	1.080	5	40	CDBB	
O=C(c1cc(Cl)cc([N+](=O)[O-])c1O)N1CCOCC1	3159159	ATOGHCSTWGIIHG-UHFFFAOYSA-N	286.671	1.426	5	40	CDBB	
Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C(C)(C)C)n1	45784120	ACPGHGZAXFJKLK-RKDXNWHRSA-N	266.301	1.550	5	40	CDBB	
COC(=O)c1ccc(Oc2ncnc(N)c2[N+](=O)[O-])cc1	3912712	MFRSDKLDESDLNG-UHFFFAOYSA-N	290.235	1.546	5	40	CDBB	
CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(O)cc2O)C1=O	408812797	BWVCHXTUUKKDTA-OQFOIZHKSA-N	296.260	1.672	5	40	CDBB	
COc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1[N+](=O)[O-]	409191967	RIGUWQKMHXOSLP-VMPITWQZSA-N	277.236	1.126	5	40	CDBB	
C[C@H](NCC(C)(C)C(N)=O)c1ccc([N+](=O)[O-])cc1	195558797	YCIIEVJUCDOSFZ-VIFPVBQESA-N	265.313	1.757	5	40	CDBB	
CN1CC[C@@H](N(C)c2cccc(F)c2[N+](=O)[O-])C1=O	96444370	JSHFIMJHZQZORX-SNVBAGLBSA-N	267.260	1.401	5	40	CDBB	
Cc1ccc(NC(=O)NCCN2CC=CC2)cc1[N+](=O)[O-]	101488367	CLWJLYAPHLNOMS-UHFFFAOYSA-N	290.323	1.897	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)NCCSC1CCCC1	40511074	SQHUEVJEAGRVIJ-UHFFFAOYSA-N	298.368	1.583	5	40	CDBB	
C[C@H]1CCC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C	6525547	GWKGSCMXUZSZSH-AEJSXWLSSA-N	280.328	1.883	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)NCc1ccc(F)cc1	823954	AMRFHEGZLBSQRU-UHFFFAOYSA-N	278.243	1.247	5	40	CDBB	
Cc1nn(CN2CCC3(CC2)OCCO3)c(C)c1[N+](=O)[O-]	26609841	LNAHUGJFELHSRB-UHFFFAOYSA-N	296.327	1.205	5	40	CDBB	
CCCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	5244631	VNLOJDAGYVTFRT-VIFPVBQESA-N	279.296	1.239	5	40	CDBB	
Cc1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)nc1	97372806	CVLBMALENDWYSL-UHFFFAOYSA-N	290.283	1.316	5	40	CDBB	
C[C@]1(C(=O)O)CC(c2cccc([N+](=O)[O-])c2)=NO1	71980998	LKAINDQBTCSWAP-LLVKDONJSA-N	250.210	1.563	5	40	CDBB	
COC(=O)c1cn(Cc2ccccc2F)nc1[N+](=O)[O-]	675031094	FNIXIBGGCCTYHG-UHFFFAOYSA-N	279.227	1.765	5	40	CDBB	
CN(C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1	3378729	AOMBDXIKWAKPSV-UHFFFAOYSA-N	283.353	1.365	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@@H]2SCCO	2557562	FLAITYNRCKZPST-VIFPVBQESA-N	289.334	1.149	5	40	CDBB	
Cn1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)n1	32796797	NAAVFVUNRYHPFT-UHFFFAOYSA-N	286.251	1.457	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCCO2)n1	2780357	FJVAGSLTILDUFD-WCBMZHEXSA-N	282.300	1.109	5	40	CDBB	
CN(CC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cn1	23080917	QOCIRDVQGLNQDH-UHFFFAOYSA-N	264.285	1.048	5	40	CDBB	
Nc1ccc(C(=O)Nn2cnc3ccccc32)cc1[N+](=O)[O-]	25060102	PUXVZYLSAAKXAP-UHFFFAOYSA-N	297.274	1.911	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(F)cc1	65713601	BJBULJNVEUEOCI-UHFFFAOYSA-N	292.270	1.555	5	40	CDBB	
Cc1nn(C)c(Nc2ccn(CC(F)F)n2)c1[N+](=O)[O-]	96452694	ILIFKYVSNYOWKJ-UHFFFAOYSA-N	286.242	1.842	5	40	CDBB	
CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5717934	JCTYYCGNMNWVSW-UHFFFAOYSA-N	253.214	1.134	5	40	CDBB	
O=C(C[C@H]1SCCNC1=O)Nc1ccccc1[N+](=O)[O-]	17023704	MJCFLKXQBFNKIF-SNVBAGLBSA-N	295.320	1.155	5	40	CDBB	
N=C(N)NC(=N)Nc1cc([N+](=O)[O-])ccc1Cl	4280783	OMNGXFHABAOJMD-UHFFFAOYSA-N	256.653	1.078	5	40	CDBB	
O=[N+]([O-])c1cc(Br)ccc1P(=O)(O)O	1725601	SAVQLRAMDBAEJO-UHFFFAOYSA-N	281.986	1.160	5	40	CDBB	
CCOc1ccc(C(=O)COC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1	32933342	RHMGFXKVVWOSIG-RYUDHWBXSA-N	293.275	1.476	5	40	CDBB	
O=C(NC1CC1)c1ccc2nc3ccccc3c(=O)n2c1	57477657	MNYOOHPIPQNXRF-UHFFFAOYSA-N	279.299	1.740	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)c(F)c1	69438272	QQTXRWRHMCFSKZ-UHFFFAOYSA-N	283.303	1.238	5	40	CDBB	
CCn1c(=O)c([N+](=O)[O-])c(NCCO)c2ccccc21	5529114	WCMDKWZZJPCNGL-UHFFFAOYSA-N	277.280	1.334	5	40	CDBB	
CNc1nc(Nc2nc(C)cs2)ncc1[N+](=O)[O-]	5943276	UZULVJNQLGZJRU-UHFFFAOYSA-N	266.286	1.935	5	40	CDBB	
Cn1cc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1	97101062	NSESHQYENXFZKN-UHFFFAOYSA-N	276.252	1.215	5	40	CDBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCOCC1	95953272	ONXJXZBEAOIWRA-UHFFFAOYSA-N	296.348	1.982	5	40	CDBB	
O=[N+]([O-])c1cccc(CNC[C@@]2(CCO)CCOC2)c1	89780828	FYRSKMRURYIKHI-CQSZACIVSA-N	280.324	1.474	5	40	CDBB	
CC(C)C[C@@H](C)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	89802399	KVYJMUIXEXZRCQ-LLVKDONJSA-N	295.339	1.650	5	40	CDBB	
CCCCCn1ccc2nc3ccn(N)c(=O)c3cc2c1=O	40398607	PJFPRMSEIRIUAA-UHFFFAOYSA-N	298.346	1.615	5	40	CDBB	
CS(=O)(=O)c1c[nH]nc1-c1cccc([N+](=O)[O-])c1	95097879	ITLKNHSADCUJGJ-UHFFFAOYSA-N	267.266	1.388	5	40	CDBB	
CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O	3899047	IBTIRLNRVKXCST-UHFFFAOYSA-N	256.217	1.974	5	40	CDBB	
Cc1ncc(CN(C)c2c([N+](=O)[O-])ncn2C)s1	52447353	DKMCDJNOPYLBSO-UHFFFAOYSA-N	267.314	1.730	5	40	CDBB	
O=C(NC1CC1)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F	32923441	HTNYNZUQADTXOB-CYBMUJFWSA-N	293.298	1.981	5	40	CDBB	
Cc1cc(C)n(NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c1	2791180	AIZFTENFBWIFLI-UHFFFAOYSA-N	287.275	1.757	5	40	CDBB	
CNc1nc(CNc2c([N+](=O)[O-])c(C)nn2C)cs1	96427254	QEYUPQDGHIZQEG-UHFFFAOYSA-N	282.329	1.747	5	40	CDBB	
Cc1cc(NC[C@H](O)CO)c(Cl)cc1[N+](=O)[O-]	133439789	TULXTXSHBUTSGA-ZETCQYMHSA-N	260.677	1.322	5	40	CDBB	
Cc1ccnc(N(C)Cc2ccc(N)nc2)c1[N+](=O)[O-]	95945030	IELUJCGJXXXPGR-UHFFFAOYSA-N	273.296	1.912	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1	226346093	KTRIXBPGONYFTQ-UHFFFAOYSA-N	263.297	1.605	5	40	CDBB	
CC(C)CCNc1c([N+](=O)[O-])nn(-c2ccccc2)[n+]1[O-]	4922752	HLEUSDOWXKGPKO-UHFFFAOYSA-N	291.311	1.872	5	40	CDBB	
O=C(CN1CCCC1=O)Nc1cccc([N+](=O)[O-])c1	7915935	BCKMMGFUSNBCMZ-UHFFFAOYSA-N	263.253	1.156	5	40	CDBB	
Cn1cncc1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1	96012643	IOVDBQXTLJFKII-UHFFFAOYSA-N	289.295	1.693	5	40	CDBB	
C[N+]1(CCC[N+]2(C)C[C@H]3CC[C@@H](C3)C2)CCOCC1	104391613	QNZKHPOAUMEKNB-HOTGVXAUSA-N	268.445	1.730	5	40	CDBB	
O=[N+]([O-])c1ncn(Cc2ccc(Br)cc2)n1	48603000	GVJNNAWWWFVNDD-UHFFFAOYSA-N	283.085	1.997	5	40	CDBB	
O=[N+]([O-])c1ccccc1CN1CCCS1(=O)=O	48609952	XNNCHJTZHWDNPS-UHFFFAOYSA-N	256.283	1.130	5	40	CDBB	
Cc1csc(=O)n1CCOc1cccnc1[N+](=O)[O-]	8779901	NIUHSSBADTVEOR-UHFFFAOYSA-N	281.293	1.600	5	40	CDBB	
O=C(NCCc1ccc[nH]1)c1cc([N+](=O)[O-])ccc1O	97052745	BMXZDZUUCRTUTK-UHFFFAOYSA-N	275.264	1.601	5	40	CDBB	
Cc1sc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	95944890	BOBSCMGXGGPQJE-UHFFFAOYSA-N	250.301	1.215	5	40	CDBB	
Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1	4771351	ONQIECDHJPPLFW-UHFFFAOYSA-N	264.216	1.720	5	40	CDBB	
CN1CCC(N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC1	2625143	QUUCGDRLXJATEM-UHFFFAOYSA-N	291.351	1.690	5	40	CDBB	
[O-][n+]1c2ccccc2[n+]([O-])c2c3ccccc3[nH]c21	1667009	HCODANXBHARKGJ-UHFFFAOYSA-N	251.245	1.741	5	40	CDBB	
O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC1	32845253	CAODBFPURNQKIN-UHFFFAOYSA-N	250.210	1.169	5	40	CDBB	
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1	12980239	KWPUKNRENFDEQD-LLVKDONJSA-N	292.339	1.169	5	40	CDBB	
CCSCC[C@H](C)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	96433097	BACSTXGEWJRSEO-ZETCQYMHSA-N	286.357	1.888	5	40	CDBB	
C[C@H]1COC[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1	96419100	JFFKXKXQCXQMLX-PHIMTYICSA-N	278.308	1.773	5	40	CDBB	
Cc1c(Br)cc(C(=O)O)c([N+](=O)[O-])c1N	14983365	CRPYUZZMNOFUMO-UHFFFAOYSA-N	275.058	1.946	5	40	CDBB	
O=c1ccc(-c2cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c2)n[nH]1	20096257	MBSBNFRIUZBMKK-UHFFFAOYSA-N	296.626	1.907	5	40	CDBB	
COc1ccc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1	210956	XTYXKLZQDSOFES-ZYHUDNBSSA-N	250.254	1.292	5	40	CDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1n[nH]nc1Cl	1417937	VUKUCTSHJLBFFZ-UHFFFAOYSA-N	267.632	1.619	5	40	CDBB	
NC(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1	6831556	XMSVFGRBSHYYAY-VIFPVBQESA-N	265.269	1.285	5	40	CDBB	
CCCn1cc(I)c([N+](=O)[O-])n1	72339306	YSVFVMQOSXVVOV-UHFFFAOYSA-N	281.053	1.806	5	40	CDBB	
CCNS(=O)(=O)CCNc1ccc(C)cc1[N+](=O)[O-]	95973720	KXIOPGZFHJCCCZ-UHFFFAOYSA-N	287.341	1.254	5	40	CDBB	
COC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	5120665	IDXHGZLORRARMY-VIFPVBQESA-N	288.325	1.216	5	40	CDBB	
O=[N+]([O-])c1cnc(Sc2ccncn2)c([N+](=O)[O-])c1	13282594	DLXRYNHQBUMSAE-UHFFFAOYSA-N	279.237	1.839	5	40	CDBB	
O=c1c(=NNc2cccc([N+](=O)[O-])c2)c(=O)c2ccccc12	565952	WKVVOKFGSSTPDO-UHFFFAOYSA-N	295.254	1.272	5	40	CDBB	
Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nc2ccccc2[nH]1	9602646	JWXJUDPOMZHPPR-UHFFFAOYSA-N	299.290	1.740	5	40	CDBB	
O=C1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1	48962525	AGQKVVXPTUWWBX-UHFFFAOYSA-N	289.213	1.550	5	40	CDBB	
C[C@@H]1Cc2cccc3c4oc(=O)cc(O)c4c(=O)n1c23	6556199	FHMBSXJPLDOCKT-SSDOTTSWSA-N	269.256	1.931	5	40	CDBB	
COC(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	78404314	WQLJYHCXHMFNSC-UHFFFAOYSA-N	262.225	1.026	5	40	CDBB	
CCS(=O)(=O)[C@H](C)[C@H](O)c1ccc([N+](=O)[O-])cc1	96519389	KBRXMDGLGJWHBS-KCJUWKMLSA-N	273.310	1.451	5	40	CDBB	
COC(=O)c1cn(Cc2cccc(C)c2)nc1[N+](=O)[O-]	675032552	ZJCYOKRRTMTKCU-UHFFFAOYSA-N	275.264	1.935	5	40	CDBB	
COC(=O)c1c([N+](=O)[O-])c(OC)cc(N(C)C)c1[N+](=O)[O-]	5333882	FDPGFLMKWRGUKD-UHFFFAOYSA-N	299.239	1.364	5	40	CDBB	
CCOC(=O)c1noc(C)c1Cn1cc([N+](=O)[O-])cn1	12395690	QGSOJNJAHNZOSZ-UHFFFAOYSA-N	280.240	1.313	5	40	CDBB	
Cc1cc(C)nc(Sc2c([N+](=O)[O-])ncn2C)n1	13216528	RDCXOZGOKGHQAI-UHFFFAOYSA-N	265.298	1.886	5	40	CDBB	
CCOc1ccccc1[C@@H]1NC(=O)CC[C@H]1[N+](=O)[O-]	90879	QCTXZKINYPLXNX-MFKMUULPSA-N	264.281	1.682	5	40	CDBB	
Cc1cc(OC(=O)CC(C)C)c([N+](=O)[O-])c(=O)[nH]1	4248322	CZOQDWVEWUCYQW-UHFFFAOYSA-N	254.242	1.543	5	40	CDBB	
CCOC(=O)[C@@H](N)CSC(=O)c1ccc([N+](=O)[O-])cc1	20218993	YRDOBLDMPAKUFO-JTQLQIEISA-N	298.320	1.359	5	40	CDBB	
Cc1cc(C)n(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)n1	151978	AFQIREBZPJZPEY-CYBMUJFWSA-N	291.307	1.848	5	40	CDBB	
Cc1nc([N+](=O)[O-])c(N2CCC(N(C)C)CC2)n1C	69323585	ORKNDHMAFOXGCJ-UHFFFAOYSA-N	267.333	1.167	5	40	CDBB	
NC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	3061381	PPHUCUYVPQVKQR-UHFFFAOYSA-N	299.286	1.875	5	40	CDBB	
O=C1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1	3510893	TXKGHVSHDDTKGZ-UHFFFAOYSA-N	264.237	1.123	5	40	CDBB	
CC(=O)c1ccc(NCC2(O)CCOCC2)c([N+](=O)[O-])c1	69978439	IXDZLRDBIJARBW-UHFFFAOYSA-N	294.307	1.751	5	40	CDBB	
CCS(=O)(=O)[C@H](C)[C@@H](O)c1ccc([N+](=O)[O-])cc1	96519391	KBRXMDGLGJWHBS-LDYMZIIASA-N	273.310	1.451	5	40	CDBB	
Cc1cnc(Sc2c([N+](=O)[O-])ncn2C)nc1	1570300	ZQXKNFRQNJKYHP-UHFFFAOYSA-N	251.271	1.578	5	40	CDBB	
O=C(NC[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1	12505646	HBCMTQIGRGIELL-LLVKDONJSA-N	265.269	1.895	5	40	CDBB	
C[N+]1([O-])[C@H]2CC[C@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2	104106665	CRDMNHQVXBRJTR-WIYXDNOOSA-N	291.347	1.901	5	40	CDBB	
CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	69902800	NSBLFSQGQVDZEH-KWQFWETISA-N	297.698	1.902	5	40	CDBB	
CCOC[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	122475918	IPKAOPQSCFNOQM-GFCCVEGCSA-N	292.295	1.251	5	40	CDBB	
CN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC1	36394257	LPHYKSYBNFOTOD-UHFFFAOYSA-N	293.323	1.184	5	40	CDBB	
Cn1cc([C@](C)(O)CNc2ccccc2[N+](=O)[O-])cn1	96421033	AGSMIRHOQAMUDC-CYBMUJFWSA-N	276.296	1.648	5	40	CDBB	
NC(=O)c1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1	362611	VPVJPEZVTPQZSX-UHFFFAOYSA-O	258.257	1.030	5	40	CDBB	
Cc1cnc(NC(=O)c2nn(C)cc2[N+](=O)[O-])s1	376080	WTJFGFYUXFBAFA-UHFFFAOYSA-N	267.270	1.346	5	40	CDBB	
CCOC(=O)CCc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2	3845235	QPNLRNVZLWMUPQ-UHFFFAOYSA-N	292.291	1.975	5	40	CDBB	
COC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(C)=O	12695014	SAMBXQHGUHLBRV-YRNVUSSQSA-N	264.237	1.245	5	40	CDBB	
CCOC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1	12899107	GDYDYVFFBWFBHA-VIFPVBQESA-N	295.295	1.338	5	40	CDBB	
CCOC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1	65490863	QITBYJLKZHHUQG-VOTSOKGWSA-N	279.248	1.714	5	40	CDBB	
CCOC[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	122476155	IPKAOPQSCFNOQM-LBPRGKRZSA-N	292.295	1.251	5	40	CDBB	
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)C1CCNCC1)CCC2	254291980	CUEHRXOORKFAMS-FRQCXROJSA-N	295.447	1.938	5	40	CDBB	
COc1cc(OC)c([N+](=O)[O-])c(OC)c1[N+](=O)[O-]	2159677	JVAQWTFPCVVELG-UHFFFAOYSA-N	258.186	1.529	5	40	CDBB	
COc1c(F)c(F)c([N+](=O)[O-])c(C(=O)O)c1F	16158130	MGDZIIULBYARTA-UHFFFAOYSA-N	251.116	1.719	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1	14399927	SSUCCENEXAWSKJ-UHFFFAOYSA-N	256.283	1.344	5	40	CDBB	
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1c(F)cccc1F	44979889	CKBQWMILLAEJCQ-HZGVNTEJSA-N	256.208	1.593	5	40	CDBB	
CC(C)n1cnnc1CNC(=O)c1cccc([N+](=O)[O-])c1	69663731	QXLPHAAFOLIQKF-UHFFFAOYSA-N	289.295	1.697	5	40	CDBB	
Cc1nc([N+](=O)[O-])c(Nc2cccc(CO)c2)n1C	71904064	OMABDARCBDCUJW-UHFFFAOYSA-N	262.269	1.873	5	40	CDBB	
COc1cc(N2CCCC2)c([N+](=O)[O-])cc1C(N)=O	45957599	BHBKTCNRJHLUSB-UHFFFAOYSA-N	265.269	1.303	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1Cc1nnc(C(C)C)o1	193870929	DMVFDDICFABWQP-UHFFFAOYSA-N	251.246	1.654	5	40	CDBB	
CC[C@@H]([C@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	96519556	FBZARXJSNMVVIV-NWDGAFQWSA-N	287.337	1.842	5	40	CDBB	
CCCNC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-]	3414578	BITIJZHYVYKCQA-BQYQJAHWSA-N	292.291	1.677	5	40	CDBB	
C[N+]1(CCC[N+]2(C)C[C@H]3CC[C@H](C3)C2)CCOCC1	17325404	QNZKHPOAUMEKNB-BYICEURKSA-N	268.445	1.730	5	40	CDBB	
O=C(NCc1noc([C@H]2C[C@@H]2[N+](=O)[O-])n1)c1ccccc1	75609913	ZIYBZDRTYDHWKV-UWVGGRQHSA-N	288.263	1.132	5	40	CDBB	
CN(Cc1ccnn1C)C(=O)c1ccc([N+](=O)[O-])cc1	2795310	VBEWHGIGKOYICB-UHFFFAOYSA-N	274.280	1.601	5	40	CDBB	
Cc1nn([C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-]	2775073	RRKPIDIJAOYBOD-SECBINFHSA-N	252.274	1.283	5	40	CDBB	
O=[N+]([O-])c1cn(Cc2noc(-c3ccco3)n2)cn1	26124744	VFMNKHHABXCJDZ-UHFFFAOYSA-N	261.197	1.483	5	40	CDBB	
Nc1ccc([N+](=O)[O-])cc1-c1nnc(=S)[nH]c1O	4018158	ZKLLGDRMXXVNDF-UHFFFAOYSA-N	265.254	1.397	5	40	CDBB	
Cc1cccc2c1[nH]c1nc3nnc(S)n3nc12	4302674	NXZIAVPOLYCEIM-UHFFFAOYSA-N	256.294	1.751	5	40	CDBB	
CCOC(=O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	4156536	COKIALANFSDVDM-UHFFFAOYSA-N	286.671	1.541	5	40	CDBB	
C[C@H](O)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O	33940435	QJMPRIHAPGGFMA-RCOVLWMOSA-N	272.282	1.026	5	40	CDBB	
CN(c1nccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	96433504	UEMYLCNNVCVVFM-UHFFFAOYSA-N	299.333	1.876	5	40	CDBB	
CCOC(=O)CN1C[C@@H]([N+](=O)[O-])c2ccccc21	98175535	OUXUEROZNHBNBZ-LLVKDONJSA-N	250.254	1.388	5	40	CDBB	
C[N@+]12CCCC[C@@H]1[C@H](N1C(=O)CCC1=O)CCC2	247651146	MYYOGQZKFKTQSS-XHBSWPGZSA-N	251.350	1.297	5	40	CDBB	biogenic,in-vitro
CCn1c2ccccc2c(=O)n1CCC[N+](C)(C)C	5508796	OTVFNMGFZKDJED-UHFFFAOYSA-N	262.377	1.919	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1Sc1nc2ncccc2[nH]1	13216974	COQIPMYJLGYACL-UHFFFAOYSA-N	276.281	1.751	5	40	CDBB	
CCOC(=O)[C@@H]1C=Nc2c(cccc2[N+](=O)[O-])C1=O	100469455	BBZKFRDLBJHFMD-MRVPVSSYSA-N	262.221	1.673	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1N1CCS(=O)CC1	69563366	ZHLOZVTVHCNQDO-UHFFFAOYSA-N	258.274	1.303	5	40	CDBB	
COC(=O)CCSc1ncc([N+](=O)[O-])c(NC2CC2)n1	45723746	BCUNUGBWMSPJAV-UHFFFAOYSA-N	298.324	1.614	5	40	CDBB	
C[C@H](C1CCC1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N	97114506	JQPQEFJQEGPFDE-MRVPVSSYSA-N	278.312	1.833	5	40	CDBB	
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@@H](c2ccccc2)C1	84525497	IOOHKUMRLSBHLM-UPJWGTAASA-N	260.293	1.668	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@H](C)C1	29218978	GIFOIRRWFBNKSK-AOOOYVTPSA-N	294.307	1.995	5	40	CDBB	
O=C(O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	96515727	VOISZEOXSMKJLH-UHFFFAOYSA-N	299.182	1.587	5	40	CDBB	
N=C(N)SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4015667	JDODMMNGXMWGEA-UHFFFAOYSA-N	288.716	1.813	5	40	CDBB	
CN(C)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	104139045	JABZYBXASLSISR-UHFFFAOYSA-N	271.189	1.300	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)O)C[C@H](C)O1	15443257	UIPNFRABNZPIBW-IUCAKERBSA-N	280.280	1.907	5	40	CDBB	
CCOC(=O)Cc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1	4087059	KVUFUFJKQRJOHK-UHFFFAOYSA-N	269.213	1.191	5	40	CDBB	
COc1c2c(c(OC)c([N+](=O)[O-])c1[N+](=O)[O-])OCO2	14987610	AVODNUYNXLWFAD-UHFFFAOYSA-N	272.169	1.249	5	40	CDBB	
C[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1	30015247	URHVPKFATWOURY-RKDXNWHRSA-N	279.296	1.592	5	40	CDBB	
COCc1nn(Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)o1	97082321	GUJVHKYTDLNECZ-UHFFFAOYSA-N	299.670	1.593	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(N(C)C)c([N+](=O)[O-])c1	26508819	AITLYVZELNXYDJ-UHFFFAOYSA-N	269.213	1.356	5	40	CDBB	
O=[N+]([O-])c1c(-n2nnc3ccccc32)nc2ccccn12	29161687	KIBCEDWLVQPLAG-UHFFFAOYSA-N	280.247	1.976	5	40	CDBB	
O=c1[nH]c(/C=C\c2cccc(O)c2)nc(O)c1[N+](=O)[O-]	9010340	KSRHMBTWFQIUCI-PLNGDYQASA-N	275.220	1.260	5	40	CDBB	
COCOc1cc([N+](=O)[O-])c(C(=O)O)cc1OC	87888276	CDQYOTWCSKZVGI-UHFFFAOYSA-N	257.198	1.284	5	40	CDBB	in-vitro
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)O1	77291026	AJPSSHPPUFPWLN-DTORHVGOSA-N	279.296	1.307	5	40	CDBB	
CC[N+](C)(C)CCCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23	5352080	UAYTZKXVZLOQJE-BJJPWKGXSA-N	296.387	1.214	5	40	CDBB	
CC1(C)C[C@](C)(OC(=O)c2ccc([N+](=O)[O-])cc2)[N+](=O)N1	17061463	VUFHYROKEFJDOU-ZDUSSCGKSA-N	294.287	1.934	5	40	CDBB	
CN1CCN(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	368853	BVJBVVADNSZSTG-UHFFFAOYSA-N	298.730	1.140	5	40	CDBB	
CCC(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	20611757	PYJPQRLGZUGUNA-UHFFFAOYSA-N	279.296	1.780	5	40	CDBB	
O=[N+]([O-])c1cc2c(c(CN3CCC[C@@H](O)C3)c1)OCOC2	16695547	HGYZNBYSTHVBDB-CYBMUJFWSA-N	294.307	1.418	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1Cc1noc(CC(C)C)n1	71907983	KXDUQZRQVLDWTQ-UHFFFAOYSA-N	265.273	1.730	5	40	CDBB	
C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1O	97235372	ICLOZMFKQFQVOM-GZMMTYOYSA-N	279.296	1.020	5	40	CDBB	
O=C(O)c1nn(CCC(F)(F)F)cc1[N+](=O)[O-]	229733549	GNNWTQMLJDKJJN-UHFFFAOYSA-N	253.136	1.442	5	40	CDBB	
NCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5338035	FZKYHBHEFTUPGH-UHFFFAOYSA-N	254.246	1.654	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccccc1O	4615085	PYWMTJKEFJCPGS-UHFFFAOYSA-N	259.221	1.948	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC1CCNCC1	38041159	AVJBRDKPVWZFRA-UHFFFAOYSA-N	251.286	1.767	5	40	CDBB	
CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	70980032	YVPDYEGQCNQYFT-ZDUSSCGKSA-N	298.364	1.604	5	40	CDBB	
O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-]	47226730	GSUWEFSKUVXFQK-TZMCWYRMSA-N	289.335	1.951	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1Nc1cnn(CCO)c1	57148890	GTWZTEPLWVRBRU-UHFFFAOYSA-N	266.232	1.666	5	40	CDBB	
Cc1cnc(N2CCCC[C@@H]2CC(N)=O)c([N+](=O)[O-])c1	91017026	CHHKLUAGZPIFGX-SNVBAGLBSA-N	278.312	1.533	5	40	CDBB	
CCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1C(=O)O	3115917	LZWADQIMVRIANQ-UHFFFAOYSA-N	266.253	1.775	5	40	CDBB	
Cc1nn([C@@H](C)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-]	6399503	RXLIUSMZLKZTSX-SCVCMEIPSA-N	296.327	1.344	5	40	CDBB	
CCN(CC(=O)NC)Cc1ccccc1[N+](=O)[O-]	47611187	VBGLYJRCMXGRCK-UHFFFAOYSA-N	251.286	1.163	5	40	CDBB	
Cc1nc2ccccc2n1CCNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	44465460	LCELQNXMUXZNHU-GWCFXTLKSA-N	288.307	1.126	5	40	CDBB	
CCS(=O)(=O)[C@H](C)[C@@H](O)c1cccc([N+](=O)[O-])c1	96519403	DDBJXXUPETWBKC-LDYMZIIASA-N	273.310	1.451	5	40	CDBB	
CC(C)[C@@H](CO)NCc1c(F)cccc1[N+](=O)[O-]	97238088	OYBZEFWHNUNOEN-LLVKDONJSA-N	256.277	1.840	5	40	CDBB	
COc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c(OC)c1	69873949	ZROHZYNMPQAWBH-NXEZZACHSA-N	291.263	1.886	5	40	CDBB	
CCN(CC)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	60835	UQABZXXYFFMJLL-UHFFFAOYSA-N	280.280	1.863	5	40	CDBB	
O=[N+]([O-])c1ccc(CCN2CCC[C@@H](O)C2)cc1	1717741	OQPRWCQYEWZSPX-CYBMUJFWSA-N	250.298	1.594	5	40	CDBB	
C[N+]1([C@@H]2CC[C@@H]3CCC[C@@H]2C32OCCO2)CCOCC1	104263067	VRVCNBSRFRKSAW-SOUVJXGZSA-N	282.404	1.785	5	40	CDBB	
Cc1noc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)n1	58157494	XNKPMYQBQHWDJK-UHFFFAOYSA-N	291.267	1.650	5	40	CDBB	
O=c1onc(-c2cnccn2)n1Cc1ccccc1[N+](=O)[O-]	69566056	DWIFTYMUKOKHBW-UHFFFAOYSA-N	299.246	1.250	5	40	CDBB	
CCc1ccc(C(=O)N2CC[C@H](O)C2)cc1[N+](=O)[O-]	89286487	WKTBMUOXQYJEIR-NSHDSACASA-N	264.281	1.364	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2ccc3nnc(S)n3n2)c1	41631114	KFRLTTKJGVNSRS-UHFFFAOYSA-N	273.277	1.988	5	40	CDBB	
Cc1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1	33403734	AWMOERZTSKVOHN-SREVYHEPSA-N	273.248	1.863	5	40	CDBB	
CCS(=O)(=O)CCOC(=O)c1ccc([N+](=O)[O-])cc1	1700932	WOUWDHKOMNIQRY-UHFFFAOYSA-N	287.293	1.186	5	40	CDBB	
COC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1	53896961	BGQNOJLFYXFCQO-UHFFFAOYSA-N	282.325	1.919	5	40	CDBB	
Cc1nn(CCCC(=O)NC(C)C)c(C)c1[N+](=O)[O-]	1428940	YRGBPIAXVYRMCT-UHFFFAOYSA-N	268.317	1.713	5	40	CDBB	
O=C(O)[C@H]1CCCN1c1nc(Cl)ccc1[N+](=O)[O-]	4105163	PGTVZKIDMGTHTK-SSDOTTSWSA-N	271.660	1.697	5	40	CDBB	
C[C@@H]1CCNC(=O)[C@H]1NCc1ccc([N+](=O)[O-])cc1	193566659	CFRFHLPKYKUNBU-SKDRFNHKSA-N	263.297	1.209	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1-c1nc([C@@H](C)N)n[nH]1	95534681	FGGCCKWJXROVIA-ZCFIWIBFSA-N	263.257	1.408	5	40	CDBB	
C[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)N(C)C	49418555	OQHMBGPVLKNGMG-ZETCQYMHSA-N	255.299	1.559	5	40	CDBB	
Cc1nc(N[C@@H](C(N)=O)C(C)C)ccc1[N+](=O)[O-]	95975054	BMJMOGXTFDDPSV-SNVBAGLBSA-N	252.274	1.220	5	40	CDBB	
CCSC[C@@H](C)N(C)c1ncc([N+](=O)[O-])c(N)n1	74770507	XAPGRXGDTWTONO-SSDOTTSWSA-N	271.346	1.545	5	40	CDBB	
O=c1c(=NNc2ccccc2[N+](=O)[O-])c(=O)c2ccccc12	16525169	RXFXLEMNWYTWBD-UHFFFAOYSA-N	295.254	1.272	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C)nn1C	2776883	BJWBAPBZLGIKGI-QMMMGPOBSA-N	266.301	1.651	5	40	CDBB	
CC[C@@H]1COCCN1c1nc2ccccn2c1[N+](=O)[O-]	72286185	BCZNIROJENORNE-SNVBAGLBSA-N	276.296	1.858	5	40	CDBB	
CCOC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1	54613656	PZFVUXCFUVKJKF-UHFFFAOYSA-N	279.296	1.769	5	40	CDBB	
CO[C@H](C)C(=O)n1nc(N)c2cc([N+](=O)[O-])ccc21	95469003	HRQSNUIRJOJTJD-ZCFIWIBFSA-N	264.241	1.202	5	40	CDBB	
O=[N+]([O-])c1ccsc1NC[C@@H]1CN2CCC[C@@H]2CO1	95986636	DYMYCDDBKOLASH-NXEZZACHSA-N	283.353	1.931	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(N)cc1N1CCN(C)CC1	216863781	PFWLVRSDFJSMJU-UHFFFAOYSA-N	250.302	1.237	5	40	CDBB	
CSC[C@@H](CCO)Nc1ccc([N+](=O)[O-])cn1	77236909	RRKBCCBHRALSRO-MRVPVSSYSA-N	257.315	1.516	5	40	CDBB	
CCN1CCN(c2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])CC1	45886707	PACWQNIRPCRLTI-UHFFFAOYSA-N	294.311	1.953	5	40	CDBB	
CCOC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	85385678	KBWKBGADAMWELV-UHFFFAOYSA-N	262.225	1.557	5	40	CDBB	
COc1c(C)cnc(Cn2cnc([N+](=O)[O-])n2)c1C	71905496	BBCAEEVZJRNCCK-UHFFFAOYSA-N	263.257	1.255	5	40	CDBB	
COC[C@H](C)NC(=S)Nc1ccccc1[N+](=O)[O-]	13635225	BOWSQYGLNHXJGQ-QMMMGPOBSA-N	269.326	1.916	5	40	CDBB	
CN(C)CCNc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]	4824434	ITDQARLVGNJIFE-UHFFFAOYSA-N	254.246	1.477	5	40	CDBB	
C[C@@H]1CCCCN1C(=O)CCn1ccc([N+](=O)[O-])n1	2780197	XMASOIKXYCYMTR-SNVBAGLBSA-N	266.301	1.582	5	40	CDBB	
C[N+]1(CCC[N+]2(C)C[C@@H]3CC[C@H](C3)C2)CCOCC1	104391617	QNZKHPOAUMEKNB-HZPDHXFCSA-N	268.445	1.730	5	40	CDBB	
C[C@H]1C[C@H](C)CN(c2nc(N(C)C)nc(N)c2[N+](=O)[O-])C1	5164812	XKRLQCGPIQTZSF-IUCAKERBSA-N	294.359	1.515	5	40	CDBB	
O=C1c2ccccc2-n2c1nc1ccc([N+](=O)[O-])cc1c2=O	191002	UTXCTALMRHFUAD-UHFFFAOYSA-N	293.238	1.838	5	40	CDBB	biogenic
O=[N+]([O-])c1cccc2[nH]c(C[n+]3ccccc3)nc12	384348	YYKHYAMLOLMVJQ-UHFFFAOYSA-N	255.257	1.807	5	40	CDBB	
CSCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	4556947	PLBWRAWSHVJPTL-SNVBAGLBSA-N	269.326	1.614	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	100171993	VYHCUDLEIGISHF-BJDJZHNGSA-N	286.243	1.038	5	40	CDBB	
O=C1NCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	37041	OLCOQQMRQDRQKP-UHFFFAOYSA-N	269.644	1.414	5	40	CDBB	
Cc1nn2cnc3ccc(Br)cc3c2nc1=O	75093419	JHUYNERNEDJVGL-UHFFFAOYSA-N	291.108	1.709	5	40	CDBB	
Cc1nc2n(n1)[C@@H](O)c1cc([N+](=O)[O-])ccc1S2	541407	PFLLBKLYBNWSSC-VIFPVBQESA-N	264.266	1.499	5	40	CDBB	
O=[N+]([O-])c1cccnc1N1CCN(c2cnccn2)CC1	14319901	BMTYGOVJPHYSSS-UHFFFAOYSA-N	286.295	1.106	5	40	CDBB	
Cc1ncccc1C(=O)OCCn1c([N+](=O)[O-])cnc1C	79063229	NZACZSPVYLEDLU-UHFFFAOYSA-N	290.279	1.660	5	40	CDBB	
COCCCNC(=S)Nc1ccc([N+](=O)[O-])cn1	13838298	VCTTVGAXHPMQQV-UHFFFAOYSA-N	270.314	1.313	5	40	CDBB	
C[C@@H]1CCCN(C(=O)CCn2ccc([N+](=O)[O-])n2)C1	2780868	DKXPEFNTVJHWCX-SNVBAGLBSA-N	266.301	1.440	5	40	CDBB	
CC(C)(C)c1nnc2[nH]c3ccccc3c(=O)n2c1=O	102486135	RICOLYCPRZWABH-UHFFFAOYSA-N	270.292	1.229	5	40	CDBB	
COc1c(C)cnc(CN(C)C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1C	65494080	PKIPUXAMPBCZMY-PWSUYJOCSA-N	293.323	1.331	5	40	CDBB	
CN(C)C(=O)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1	83844093	OLWRGLUURHUYOQ-UHFFFAOYSA-N	289.238	1.696	5	40	CDBB	
Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)n[nH]1	35677838	JIMCSQYVILBXJW-UHFFFAOYSA-N	265.298	1.630	5	40	CDBB	
COC(=O)N1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1	78406746	NPPJFBXUDMUXPM-SECBINFHSA-N	265.269	1.847	5	40	CDBB	
C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CC1	12491707	HZYHWFLBWWVMDA-MRVPVSSYSA-N	293.279	1.350	5	40	CDBB	
O=c1cc(O)c2sc3[nH]c(=O)c([N+](=O)[O-])cc3c2[nH]1	4593261	UHBHCYFYVSRWIK-UHFFFAOYSA-N	279.233	1.045	5	40	CDBB	
CCCn1nnnc1NCc1ccc([N+](=O)[O-])cc1	7263409	RUOAXCBUFLGDGT-UHFFFAOYSA-N	262.273	1.603	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C)nn1C	2776882	BJWBAPBZLGIKGI-MRVPVSSYSA-N	266.301	1.651	5	40	CDBB	
CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1O	57294251	NCWBWASSYHQIKR-UHFFFAOYSA-N	275.058	1.423	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1COCCO1	44977115	NJQPIGYZLZCCMS-SNVBAGLBSA-N	296.279	1.209	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)C[S@](C)=O	97109022	CANAEKQBHZOZJR-WVDJIFEKSA-N	298.364	1.742	5	40	CDBB	
COC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C	4524591	KKSNSQGQRJYHLX-QMMMGPOBSA-N	252.270	1.668	5	40	CDBB	
O=[N+]([O-])c1cnc(N2CCCCC2)c([N+](=O)[O-])c1	19802606	MSOPZJOZOWWLIC-UHFFFAOYSA-N	252.230	1.888	5	40	CDBB	
Cc1cnc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])o1)CCO2	95445558	RODJUZIELBKPEV-UHFFFAOYSA-N	289.247	1.930	5	40	CDBB	
C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1	33049964	MVIARPSWMNOAAX-SECBINFHSA-N	250.254	1.456	5	40	CDBB	
CC[C@@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96519466	HBWFQQDYJVAFFX-QWRGUYRKSA-N	273.310	1.451	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1	35571838	VGOLNVZXOIJBKT-IUCAKERBSA-N	252.270	1.914	5	40	CDBB	
COc1cc(C(C)=O)c([N+](=O)[O-])c(OC)c1OC	21303766	ZHVMCSUVRFDCIY-UHFFFAOYSA-N	255.226	1.823	5	40	CDBB	
C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1C[C@H]2CC[C@H]1C2	102592987	GRISJYFIOPYNHE-VPOLOUISSA-N	292.339	1.883	5	40	CDBB	
O=C(O)[C@H]1COc2c(cc(Cl)cc2[N+](=O)[O-])C1	12505683	RYTMVTXXMSRLGT-ZCFIWIBFSA-N	257.629	1.884	5	40	CDBB	
O=C(O)CCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	26467844	IJGLZONKHWSNLC-UHFFFAOYSA-N	263.209	1.662	5	40	CDBB	
O=[N+]([O-])c1cccnc1N1CCN(c2ncccn2)CC1	20444720	VKFFQNULBPSBTD-UHFFFAOYSA-N	286.295	1.106	5	40	CDBB	
CS(=O)(=O)c1snnc1-c1cccc([N+](=O)[O-])c1	96525390	CYPAHDXFTLQMNP-UHFFFAOYSA-N	285.306	1.517	5	40	CDBB	
C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1CO	97105165	VKPIKQNEVKIZGN-NOZJJQNGSA-N	293.323	1.410	5	40	CDBB	
O=[N+]([O-])c1ccccc1NCCN1CCOCC1	21792832	NSZYSZQFVBHJBA-UHFFFAOYSA-N	251.286	1.339	5	40	CDBB	
CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)OC1=S	285403	KYGBOONPFINVDS-TWGQIWQCSA-N	264.262	1.709	5	40	CDBB	
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	4006707	PBVHTBPFNZTURL-KGOITJQVSA-N	284.271	1.906	5	40	CDBB	
NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1C(N)=O	2774690	YHPAZNJGMJLGFF-UHFFFAOYSA-N	278.051	1.099	5	40	CDBB	
CC(C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	1385529	CXACRBXRNCZFDB-UHFFFAOYSA-N	275.268	1.314	5	40	CDBB	
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)O1	12620377	VYVHXHKVJTWDIP-OCAPTIKFSA-N	270.310	1.906	5	40	CDBB	
COc1cc(N2CCC(=O)CC2)ccc1[N+](=O)[O-]	14007586	VWVGKNTWOBCSTI-UHFFFAOYSA-N	250.254	1.773	5	40	CDBB	in-vitro
COc1c(OC(F)F)cc([N+](=O)[O-])c(C=O)c1[N+](=O)[O-]	6880726	SVSZUUZZFLJRGJ-UHFFFAOYSA-N	292.150	1.926	5	40	CDBB	
CCS(=O)(=O)[C@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	96510161	YSZZAYWGIOQMDC-QWRGUYRKSA-N	255.295	1.885	5	40	CDBB	
C[N@+]12CCCC[C@H]1[C@H](COC(=O)CCN)CCC2	254352104	YUWVOVMUDMIUFN-HEHGZKQESA-N	255.382	1.288	5	40	CDBB	biogenic,in-vitro
CNc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1[N+](=O)[O-]	4509414	VEHUECXIUZKMLD-SNVBAGLBSA-N	280.236	1.109	5	40	CDBB	
COC[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1	6124200	LSJWKGMUFMMNEM-VIFPVBQESA-N	268.269	1.125	5	40	CDBB	
Cc1nn(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-]	2778764	KDIJDUVAOGSCSD-UWVGGRQHSA-N	296.327	1.126	5	40	CDBB	
Cc1cc(C(=O)N2CCO[C@@H](C)C2)ccc1[N+](=O)[O-]	9053381	IKEFKBGAUBLYLN-JTQLQIEISA-N	264.281	1.764	5	40	CDBB	
NC(=O)[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1	69920991	ZNUUKNSHDBGXQV-LBPRGKRZSA-N	263.297	1.087	5	40	CDBB	
C[C@H]1CC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1	92558784	MLTFWOQTGGOMJW-IUCAKERBSA-N	294.307	1.986	5	40	CDBB	
CCn1c(C)nnc1Sc1c([N+](=O)[O-])ncn1C	69385881	VEQVSAJDIGZDNL-UHFFFAOYSA-N	268.302	1.399	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccsc1	95957787	VBRTYVMOYJQMIA-UHFFFAOYSA-N	293.304	1.134	5	40	CDBB	
Cc1cc(=O)n(Cc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-]	89568492	JYNIMAMSMLUINP-UHFFFAOYSA-N	287.275	1.212	5	40	CDBB	
Cc1cccc([N+](=O)[O-])c1C(=O)NCCC(C)(C)O	225563149	XUJVDEKRONRYCW-UHFFFAOYSA-N	266.297	1.794	5	40	CDBB	
Nc1cc(N2CCOCC2)c(Cl)cc1[N+](=O)[O-]	4052859	MIGKKDPFXLVZTK-UHFFFAOYSA-N	257.677	1.667	5	40	CDBB	
Cc1cc(NC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)no1	9605158	JZXHGJIIJCWBJU-VIFPVBQESA-N	293.283	1.904	5	40	CDBB	
Cc1ccc(OCC(=O)N2CCC(C)CC2)c([N+](=O)[O-])n1	9643838	SGROULBXJCXWRZ-UHFFFAOYSA-N	293.323	1.936	5	40	CDBB	
Nc1nc(N2CCO[C@H]3CCCC[C@@H]32)ncc1[N+](=O)[O-]	96453984	RKCRJSPVHGRCFM-WPRPVWTQSA-N	279.300	1.115	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CCCC(=O)NCc1ccco1	215084	MHELGZYCIMLTRR-UHFFFAOYSA-N	292.295	1.789	5	40	CDBB	
CC(C)(C)C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O	4515853	XPPXLCSIXVETEO-UHFFFAOYSA-N	289.291	1.920	5	40	CDBB	
Nc1ccc([N+](=O)[O-])c2ccc(S(=O)(=O)O)cc12	4783152	MYQSCJGSZROJFZ-UHFFFAOYSA-N	268.250	1.577	5	40	CDBB	
COc1ccc(S(=O)(=O)N(C)C2CC2)cc1[N+](=O)[O-]	24681580	VKTWXMXYKJASET-UHFFFAOYSA-N	286.309	1.386	5	40	CDBB	
O=C(O)Cc1ccc([N+](=O)[O-])cc1Br	37460585	SWLSHEHNEIUTLA-UHFFFAOYSA-N	260.043	1.984	5	40	CDBB	
CC1(C)COC2(OC1)C(=O)Nc1ccc([N+](=O)[O-])cc12	98175541	CYMQDPPIPXSSAY-UHFFFAOYSA-N	278.264	1.773	5	40	CDBB	
Cc1cc(Cl)c([N+](=O)[O-])c(=O)n1C[C@H]1CCCO1	252506343	VZTIKSSIZXVLOY-MRVPVSSYSA-N	272.688	1.897	5	40	CDBB	
CC[C@H]1CN1P1(=O)OCC(C)([N+](=O)[O-])CO1	4945858	LJHMAFMBLYFORD-WFNZOOHCSA-N	250.191	1.271	5	40	CDBB	
C[N+]1(C[C@@H](O)COc2ccccc2F)CCOCC1	3180615	KQENXQPWLUROFM-GFCCVEGCSA-N	270.324	1.042	5	40	CDBB	
C[C@H](C(=O)NCc1ccccc1F)n1cc([N+](=O)[O-])cn1	95994875	YSZFWUQNDRHTOL-SECBINFHSA-N	292.270	1.808	5	40	CDBB	
COc1c(Cl)cc(S(=O)(=O)O)cc1[N+](=O)[O-]	255187650	FWJDQLOLYDWKPR-UHFFFAOYSA-N	267.646	1.504	5	40	CDBB	
O=[N+]([O-])c1cccc(CNC[C@H]2CCCS2(=O)=O)c1	89780830	AMUWDBYHTCKSHD-GFCCVEGCSA-N	284.337	1.262	5	40	CDBB	
O=C(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl	20200012	NBLDWIRTQDAYEV-UHFFFAOYSA-N	258.617	1.063	5	40	CDBB	
CCOC(=O)c1cc(OC)cc([N+](=O)[O-])c1OC	57340013	NZZHMOIDPDNSMU-UHFFFAOYSA-N	255.226	1.789	5	40	CDBB	
CO[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1	76481584	MMDOWSFWGLOWTP-JTQLQIEISA-N	280.280	1.551	5	40	CDBB	
COC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	4050806	YUGMGDCKGOUDNO-UWVGGRQHSA-N	294.307	1.995	5	40	CDBB	
NC(=O)N1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1	60363059	YWEARMUYKPPARJ-UHFFFAOYSA-N	282.275	1.325	5	40	CDBB	
CC(C)CNc1nc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	97673571	QYDOBIPAJOTGFE-UHFFFAOYSA-N	293.371	1.810	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCOCC2)c1	88698899	CXHLMFUFFOFUOI-LBPRGKRZSA-N	295.339	1.008	5	40	CDBB	
O=C(NCc1ccc(Cl)cc1)[C@H]1C[C@H]1[N+](=O)[O-]	32931955	CPSBDKKLZGMSPM-VHSXEESVSA-N	254.673	1.621	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1OCc1noc(C)n1	31674146	YMJAFQHZPXADIP-UHFFFAOYSA-N	265.225	1.874	5	40	CDBB	
CC[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1	88616518	OJCPKRJFDSSBHW-CYBMUJFWSA-N	250.298	1.724	5	40	CDBB	
C[C@@H](Cn1ccnc1)NC(=O)Cc1ccccc1[N+](=O)[O-]	42532938	FWEXCVQQHLZNEO-NSHDSACASA-N	288.307	1.539	5	40	CDBB	
COc1cc(N[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-]	195575396	BKCHQLGZLCAUTH-GXSJLCMTSA-N	252.270	1.929	5	40	CDBB	
Cc1nc2n(n1)[C@H](O)c1cc([N+](=O)[O-])ccc1S2	541408	PFLLBKLYBNWSSC-SECBINFHSA-N	264.266	1.499	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCCC2)cc1	1233452	AHIDFHGCZZOGJB-UHFFFAOYSA-N	270.310	1.816	5	40	CDBB	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	36386323	XSQOHEZHSHGMRJ-ZETCQYMHSA-N	250.254	1.829	5	40	CDBB	
CCN(CC)CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-]	5688903	VQGURKBCDLMKIT-UHFFFAOYSA-N	294.355	1.838	5	40	CDBB	
C[C@H](C[S@](C)=O)N(C)c1ccc([N+](=O)[O-])cn1	96011436	HZBKSLQETRTVRW-CQLKUDPESA-N	257.315	1.193	5	40	CDBB	
CC(=O)Nc1cccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c1	84796895	CTVFWOWVSUKXDE-UHFFFAOYSA-N	287.275	1.763	5	40	CDBB	
CCN(CC)CCCNC(=O)c1ccc([N+](=O)[O-])cc1O	31912421	XYGGENKKRSQPTK-UHFFFAOYSA-N	295.339	1.762	5	40	CDBB	
CC[C@@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1C	188269311	SGNKHHWEPWXIGB-NSHDSACASA-N	266.297	1.333	5	40	CDBB	
O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	227218763	OMOUCINQOUGMPO-WYUUTHIRSA-N	286.243	1.038	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1NCCCn1ccnc1	52812261	YVOCIJBYTIBTDO-UHFFFAOYSA-N	261.285	1.997	5	40	CDBB	
CN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	5509024	AZIJIMXKDWHKKO-UHFFFAOYSA-N	271.704	1.540	5	40	CDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N1	99330	CALXKFHEBRCNOE-MWLCHTKSSA-N	254.673	1.936	5	40	CDBB	
NC(=O)c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1	8197887	FHIMLPRJDXWEFH-UHFFFAOYSA-N	276.277	1.635	5	40	CDBB	
CCC[N+](C)(C)CCOC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	104184170	HZZUTTDRMYIDDZ-QNSTZXKLSA-N	296.387	1.214	5	40	CDBB	
CC1CCC(N(C)c2ncc([N+](=O)[O-])c(N)n2)CC1	48545998	VJPYPCFCEIDGGG-UHFFFAOYSA-N	265.317	1.982	5	40	CDBB	
C[C@H]1C[C@@H](C)CN(c2nc(N)ncc2[N+](=O)[O-])C1	13302228	DEIWIATZQFDXKZ-OCAPTIKFSA-N	251.290	1.449	5	40	CDBB	
CCN1C(=O)N/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O	409222200	VYDMQRKLVPQWPR-RMKNXTFCSA-N	291.263	1.516	5	40	CDBB	
Cc1[nH]nc(C(=O)NCCNc2ccccc2)c1[N+](=O)[O-]	96412588	HWMOKCDSIWMZQM-UHFFFAOYSA-N	289.295	1.468	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1C[C@H](O)c1cccc(F)c1	195562227	QFZLMRCEQVNRKA-NSHDSACASA-N	265.244	1.972	5	40	CDBB	
COc1ccc(C(CC(=O)O)CC(=O)O)cc1[N+](=O)[O-]	1857373	FPIDXWYVJFOUHA-UHFFFAOYSA-N	283.236	1.636	5	40	CDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccc3c(c2)CCO3)N1	13992146	OTVKACUPKNTJMQ-GXFFZTMASA-N	262.265	1.218	5	40	CDBB	
COCCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O	31662115	XBBINXSFQZUEBI-ZDUSSCGKSA-N	293.279	1.008	5	40	CDBB	
COC(=O)c1nc(O)c(Br)cc1[N+](=O)[O-]	1857793484	UIXRDUGFSLDBFO-UHFFFAOYSA-N	277.030	1.245	5	40	CDBB	
O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1	2795325	UMMCPAKJKAYPOA-UHFFFAOYSA-N	278.243	1.360	5	40	CDBB	
COC(=O)c1c([N+](=O)[O-])cc(OC)c(O)c1[N+](=O)[O-]	63110808	WVGAHQOINHARSS-UHFFFAOYSA-N	272.169	1.004	5	40	CDBB	in-vitro
CNc1nc(N2C[C@H](C)C[C@@H](C)C2)nc(N)c1[N+](=O)[O-]	4140224	LFGFGDKYCZDYHJ-HTQZYQBOSA-N	280.332	1.491	5	40	CDBB	
Cn1c(CCCC(=O)O)nc2cc([N+](=O)[O-])ccc21	814389	SWYGVZPCQZGGPU-UHFFFAOYSA-N	263.253	1.889	5	40	CDBB	
CC[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2739561	PGTVBDMGASSYQV-MRVPVSSYSA-N	281.268	1.960	5	40	CDBB	
CC(=O)[C@H](C)n1cnc(Sc2ncccc2[N+](=O)[O-])n1	3105336	VFFTZKRJZDIYFE-ZETCQYMHSA-N	293.308	1.883	5	40	CDBB	
O=C(O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4517272	MVZXUWLTGGBNHL-SECBINFHSA-N	281.224	1.556	5	40	CDBB	in-vitro
COc1ccc(OCC(=O)NC(C)(C)C)c([N+](=O)[O-])c1	7035434	MHYJWUZDQQCFEH-UHFFFAOYSA-N	282.296	1.897	5	40	CDBB	
CN1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1	71893376	HKWWREZTVUWPFF-LBPRGKRZSA-N	277.324	1.205	5	40	CDBB	
O=C(OCCc1ccc(F)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-]	78986203	UMKZTGPGFSWLQT-MNOVXSKESA-N	253.229	1.577	5	40	CDBB	
CCC1(O)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1	89648834	CVMJQJJJVONMHG-VMPITWQZSA-N	276.292	1.591	5	40	CDBB	
Cn1c(SCC(=O)O)nnc1-c1cccc([N+](=O)[O-])c1	4966547	HKJRRNIGYJRAJQ-UHFFFAOYSA-N	294.292	1.567	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1	58148665	IJJUZPLTYTVVBE-GFCCVEGCSA-N	289.335	1.490	5	40	CDBB	
CC(=O)Nc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1	6318026	ICYODWOSPLSDRP-UHFFFAOYSA-N	289.251	1.529	5	40	CDBB	
CCCCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	4673404	FQYCJQCBPOHPMQ-UHFFFAOYSA-N	280.280	1.911	5	40	CDBB	
O=C(O)C1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1	6662626	KMEBYHWMIVETBF-UHFFFAOYSA-N	292.251	1.432	5	40	CDBB	
O=C(Nc1ccccc1[N+](=O)[O-])c1n[nH]cc1[N+](=O)[O-]	6657965	AXSZBRQJJHNAES-UHFFFAOYSA-N	277.196	1.478	5	40	CDBB	
O=[N+]([O-])c1nn([C@@H]2CCOC2)cc1Br	69624575	SGRYJDUBTYMMDD-RXMQYKEDSA-N	262.063	1.515	5	40	CDBB	
CC(C)CN(CC(N)=O)c1nc2sccn2c1[N+](=O)[O-]	84510984	CZBXSULTEXQONG-UHFFFAOYSA-N	297.340	1.252	5	40	CDBB	
Cc1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1	95973722	MWMPMPWYEWRYGL-JTQLQIEISA-N	299.352	1.031	5	40	CDBB	
COC(=O)c1ccc(-n2cccc2C=O)c([N+](=O)[O-])c1	1504308213	RDVIBYFJFTZEKZ-UHFFFAOYSA-N	274.232	1.985	5	40	CDBB	
N[C@H](C(=O)O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1	199810056	MNBIPEVYWOEJAE-ZETCQYMHSA-N	264.159	1.698	5	40	CDBB	
Cc1nn(CCC(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-]	2782137	SNLNPQOTROXCKZ-JTQLQIEISA-N	280.328	1.748	5	40	CDBB	
O=C(O)/C=C\C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	33318362	TUPOUSSKZNAZQW-ARJAWSKDSA-N	254.173	1.313	5	40	CDBB	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)OC1(C)C	3176918	CWBTUNKLPXOVOV-UHFFFAOYSA-N	263.253	1.871	5	40	CDBB	
C[C@H](Cn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1)C(=O)O	408715941	GZWQENOQFFUOAI-RXMQYKEDSA-N	297.189	1.453	5	40	CDBB	
CS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	85223762	HZEVFKBKASENPN-UHFFFAOYSA-N	280.099	1.761	5	40	CDBB	
CCN(CC)CCn1cc(Cl)cc([N+](=O)[O-])c1=O	97377166	QQOPQKDFXGYUMV-UHFFFAOYSA-N	273.720	1.752	5	40	CDBB	
O=[N+]([O-])c1cnn(-c2nccc(C(F)(F)F)n2)c1	96447878	MBCNUVDWNIFZCE-UHFFFAOYSA-N	259.147	1.589	5	40	CDBB	
CC1([N+](=O)[O-])COP(=O)(NCc2ccccn2)OC1	13284077	WBURVLPYPMTACL-UHFFFAOYSA-N	287.212	1.362	5	40	CDBB	
CS(=O)(=O)CCSCc1ccccc1[N+](=O)[O-]	69670177	KTMYCTXVEUBKFH-UHFFFAOYSA-N	275.351	1.873	5	40	CDBB	
CNC(=O)c1cccc(Oc2c([N+](=O)[O-])ncn2C)c1	32923478	YYJLNWQAZKSUFW-UHFFFAOYSA-N	276.252	1.480	5	40	CDBB	
CCc1nnc(S)n1NC(=O)c1ccc([N+](=O)[O-])cc1	75280198	XHLXMQVRAPVCNL-UHFFFAOYSA-N	293.308	1.421	5	40	CDBB	
CCN1CCN(c2cc(N)c([N+](=O)[O-])cc2C)CC1	139651006	OBBIFDGUKHHNHJ-UHFFFAOYSA-N	264.329	1.627	5	40	CDBB	
CC1(C)C[C@H](NCCn2ccc([N+](=O)[O-])n2)C(C)(C)O1	97103294	XVKCUSSMMIZKBG-JTQLQIEISA-N	282.344	1.727	5	40	CDBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1	5032951	YQOZYUHMTAZRGW-UHFFFAOYSA-N	294.359	1.804	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1Cc1ccc2c(c1)OCO2	5642145	TXBOCWNGGHCWLS-UHFFFAOYSA-N	261.237	1.877	5	40	CDBB	
COC(=O)CCNc1ccc(C(=O)OC)cc1[N+](=O)[O-]	9338487	XBTNEGSPRLOCSA-UHFFFAOYSA-N	282.252	1.356	5	40	CDBB	
COc1ccc(C(=O)Cn2cnc([N+](=O)[O-])c2)cc1F	29749608	GGVSQWWZRQTMDG-UHFFFAOYSA-N	279.227	1.822	5	40	CDBB	
C[C@H](O)CCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	1557945	CXYZURRQMHSMIT-WDSKDSINSA-N	280.535	1.789	5	40	CDBB	
COC(=O)c1ccccc1Cn1cc([N+](=O)[O-])cn1	2536988	FIHKAXRTUXLBFK-UHFFFAOYSA-N	261.237	1.626	5	40	CDBB	
C[C@@H]1C[C@@H](N2Cc3ccc([N+](=O)[O-])cc3C2)C(=O)O1	72763439	VRLQQPIVXDEBRX-PRHODGIISA-N	262.265	1.614	5	40	CDBB	
Cc1cc(NCCO)nc(-c2cccc([N+](=O)[O-])c2)n1	225325891	OEAYGQGHXNPCOG-UHFFFAOYSA-N	274.280	1.764	5	40	CDBB	
COC(=O)[C@H]1CN(C)C[C@H]1c1ccc([N+](=O)[O-])cc1	252515355	IWSRWSNGUTXQKM-RYUDHWBXSA-N	264.281	1.413	5	40	CDBB	
CC[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	95117439	KCCGKTGEPHZTOY-SECBINFHSA-N	265.317	1.984	5	40	CDBB	
NC1(c2cc(Br)ccc2[N+](=O)[O-])COC1	1776011141	WHWRMDZWYQSSMG-UHFFFAOYSA-N	273.086	1.542	5	40	CDBB	
C[C@H]1CCCCN1C(=O)c1c([N+](=O)[O-])cnn1C	483034	NGPXOIBIGKNASZ-QMMMGPOBSA-N	252.274	1.343	5	40	CDBB	
COC(=O)[C@@H](C(C)=O)C(=O)c1ccccc1[N+](=O)[O-]	100399709	RWVBRHFWPGNIHG-JTQLQIEISA-N	265.221	1.156	5	40	CDBB	
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1	4289894	FTJUFAJTUQBSLH-VIFPVBQESA-N	259.225	1.118	5	40	CDBB	
CCOC(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1	15443352	IJKYVSKTYUQAOF-UHFFFAOYSA-N	294.307	1.733	5	40	CDBB	
CN1C=CC(C(=O)NCCC[N+](C)(C)C)=C/C1=C\N=O	15961537	LWHJSIZBXGUMTJ-ACCUITESSA-O	279.364	1.192	5	40	CDBB	
CC(C)OC(=O)[C@@H](C)N(C)c1ncccc1[N+](=O)[O-]	84621821	RQLUJMVMYMQEMR-SECBINFHSA-N	267.285	1.766	5	40	CDBB	
CC(=O)c1ccc(NC2(CO)CC2)c([N+](=O)[O-])c1	89292172	BBQJZOBIXOQKMH-UHFFFAOYSA-N	250.254	1.734	5	40	CDBB	
COC(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	78404176	KKUSUPWYEFPIIF-UHFFFAOYSA-N	262.225	1.026	5	40	CDBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)O[C@H]1CCOC1	78612192	SCTMERAQGZBUIP-ITKZLYELSA-N	263.249	1.940	5	40	CDBB	
Cc1c(CN2CCCS2(=O)=O)cccc1[N+](=O)[O-]	48610006	GTWWQAYFSIGHJQ-UHFFFAOYSA-N	270.310	1.439	5	40	CDBB	
COC(=O)[C@@H](CCc1ccccc1[N+](=O)[O-])C(C)=O	5434386	IPZPRFPPFMZPCX-NSHDSACASA-N	265.265	1.906	5	40	CDBB	
CC(=O)NC[C@@H]1CN(c2ccc(C)cc2[N+](=O)[O-])CCO1	95406102	QQEWEXZKNVKSQI-GFCCVEGCSA-N	293.323	1.245	5	40	CDBB	
O=C(CSCc1cccc([N+](=O)[O-])c1)N1CCOCC1	408723882	YEPFFMWESIUQOJ-UHFFFAOYSA-N	296.348	1.687	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1-c1nc2ccccn2c1[N+](=O)[O-]	37868651	GHZIDXUVPILBFT-UHFFFAOYSA-N	288.223	1.645	5	40	CDBB	in-vitro
COc1cc(/C=C2\SC(=N)NC2=O)cc([N+](=O)[O-])c1O	33908212	ATLBYVIPVJMCPD-YWEYNIOJSA-N	295.276	1.448	5	40	CDBB	
Cc1ccc(OCC(=O)NCC(F)(F)F)cc1[N+](=O)[O-]	95438579	RJVQBYTXRWJBOB-UHFFFAOYSA-N	292.213	1.961	5	40	CDBB	
CC(C)CCn1nc([N+](=O)[O-])nc1Br	44889775	ZCRBVSLNAWZGJR-UHFFFAOYSA-N	263.095	1.995	5	40	CDBB	
O=[N+]([O-])c1cnc(N2CCC[C@H]2CN2CCCCC2)nc1	160454458	UOVVKOQAEOXAEC-LBPRGKRZSA-N	291.355	1.840	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CCS(=O)(=O)c1ccccc1	34406346	WZDZCMPMOJPCIM-UHFFFAOYSA-N	295.320	1.574	5	40	CDBB	
O=C1C(=O)N(c2ccc([N+](=O)[O-])cn2)c2ccccc21	6045714	LZKSEARIIPCEKX-UHFFFAOYSA-N	269.216	1.851	5	40	CDBB	
CC[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	24865797	FVVKITJVFHGQPJ-LLVKDONJSA-N	293.323	1.548	5	40	CDBB	
Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1	24997861	HMNZQDLSVFSDTP-VIFPVBQESA-N	290.279	1.729	5	40	CDBB	
CCCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	35685993	NXPTXAQKIUMCSJ-UHFFFAOYSA-N	274.298	1.292	5	40	CDBB	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1	97022884	HQDKUIQVXGKNDV-CBAPKCEASA-N	290.279	1.964	5	40	CDBB	
Nc1nc(NCCO)nc(Nc2ccccc2)c1[N+](=O)[O-]	4306283	DYEBGQZWXDUJAZ-UHFFFAOYSA-N	290.283	1.115	5	40	CDBB	
Cn1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)n1	4734972	XNDSPZOJCWCLKR-UHFFFAOYSA-N	261.237	1.685	5	40	CDBB	
Cc1nc(N[C@H](C(N)=O)C(C)C)ccc1[N+](=O)[O-]	95975053	BMJMOGXTFDDPSV-JTQLQIEISA-N	252.274	1.220	5	40	CDBB	
CC[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	32765433	LTSYJHMTISZKMV-ZETCQYMHSA-N	262.269	1.999	5	40	CDBB	
CS(=O)(=O)c1cc[nH]c1-c1cccc([N+](=O)[O-])c1	96532678	HLUHNNCGWBUXRT-UHFFFAOYSA-N	266.278	1.993	5	40	CDBB	
C[C@](Cl)([C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96520275	DWHDECRZGHNLKB-VHSXEESVSA-N	293.728	1.628	5	40	CDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2ccc3c(c2)CCO3)N1	13992144	OTVKACUPKNTJMQ-ZWNOBZJWSA-N	262.265	1.218	5	40	CDBB	
CCc1nc(CNC(=O)c2ccccc2[N+](=O)[O-])no1	6359382	JURMXCIESFTNPS-UHFFFAOYSA-N	276.252	1.470	5	40	CDBB	
Cc1cnc(Sc2nc3ncccn3n2)c([N+](=O)[O-])c1	76065035	DUZDTNXRWOFHRO-UHFFFAOYSA-N	288.292	1.887	5	40	CDBB	
O=[N+]([O-])c1ccc(Oc2ccc3nnnn3n2)cc1	48399570	WYVOPYLSGAMUEO-UHFFFAOYSA-N	258.197	1.220	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(NCCC(=O)O)c([N+](=O)[O-])c1	4054647	YTKCWLFDORXSBY-UHFFFAOYSA-N	269.213	1.698	5	40	CDBB	
CCN1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1	8055330	SWGRTKRHFGUCKL-UHFFFAOYSA-N	277.324	1.939	5	40	CDBB	
Nc1nn(C(=O)C2CCOCC2)c2ccc([N+](=O)[O-])cc12	95469001	XSARFZKOHPXKAL-UHFFFAOYSA-N	290.279	1.594	5	40	CDBB	
Cc1cc(C(=O)Nc2ccn(C)n2)ccc1[N+](=O)[O-]	8118022	AZOPCHUYLPGARM-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
COC(=O)c1cc(C(=O)OC)c([N+](=O)[O-])cc1[N+](=O)[O-]	2525372	NSTUJGIOWFJKMA-UHFFFAOYSA-N	284.180	1.076	5	40	CDBB	
O=C(O)c1cc(C(=O)Nc2ncccn2)cc([N+](=O)[O-])c1	2727951	CDGYXLZVIVMWQN-UHFFFAOYSA-N	288.219	1.335	5	40	CDBB	
O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@H]1[N+](=O)[O-]	106526136	IPIPJZOAFRXSDW-BPLDGKMQSA-N	297.314	1.952	5	40	CDBB	
CC(C)(C)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	3282068	IRQCUWRYJINNSC-UHFFFAOYSA-N	280.280	1.666	5	40	CDBB	
CCOc1ccc(NC(=O)/C=C\C(=O)O)c([N+](=O)[O-])c1	30784291	FLESIQSNLIUBLG-WAYWQWQTSA-N	280.236	1.573	5	40	CDBB	
CCN(C[C@@H](C)C(=O)OC)c1cc(C)c([N+](=O)[O-])cn1	96482721	MEEWBBIKBBYWFN-SNVBAGLBSA-N	281.312	1.934	5	40	CDBB	
O=[N+]([O-])c1cnn(-c2ccc3nnc(C(F)(F)F)n3n2)c1	96447880	UCMRFPUKOHRQJW-UHFFFAOYSA-N	299.172	1.237	5	40	CDBB	
CC(C)(C)c1nnnn1Cc1ccccc1[N+](=O)[O-]	48706979	REVMCWSZSHYAMG-UHFFFAOYSA-N	261.285	1.927	5	40	CDBB	
CCOC(=O)c1cc(C(=O)N(C)OC)cc([N+](=O)[O-])c1	36739258	YZZXMEDHDBDBRB-UHFFFAOYSA-N	282.252	1.405	5	40	CDBB	
Cc1cc(N2CCN([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-]	84116890	HCEATAGLARIYCE-LBPRGKRZSA-N	292.339	1.209	5	40	CDBB	
O=[N+]([O-])c1ccccc1NC[C@H]1CN(C2CC2)CCO1	106369642	IRDYANYPDPSXDU-LBPRGKRZSA-N	277.324	1.870	5	40	CDBB	
Cc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1	16291530	KTHITSMADFALHF-SREVYHEPSA-N	273.248	1.863	5	40	CDBB	
O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC1	9503479	CYXZWLJKQXTDGI-UHFFFAOYSA-N	269.688	1.939	5	40	CDBB	
CNC(=O)[C@@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-]	26121176	PUEDZUJHRFHTNM-MRVPVSSYSA-N	266.253	1.195	5	40	CDBB	
CO[C@]1(C)C[C@@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C	73275239	CZNFCTKYXJQOQN-AMIZOPFISA-N	296.327	1.560	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CC[C@H](CN3CCOCC3)C2)cc1	78405058	CQLFBFFUMWZZPH-CYBMUJFWSA-N	291.351	1.753	5	40	CDBB	
N=C(Nc1ncccc1[N+](=O)[O-])N1CCC[C@@H](CO)C1	225244907	SLVIIRJEMSMGFM-SECBINFHSA-N	279.300	1.041	5	40	CDBB	
COC(=O)[C@@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2OC)C1	45953032	SLXPBHYYCMAUIV-MRVPVSSYSA-N	294.263	1.129	5	40	CDBB	
Cc1[nH]nc(C(=O)Nc2c(O)cccc2F)c1[N+](=O)[O-]	96436589	YXKGDONLXGHXKU-UHFFFAOYSA-N	280.215	1.723	5	40	CDBB	
N=C(N)SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	16983013	RWZYYSQCTGWLKV-UHFFFAOYSA-N	256.243	1.630	5	40	CDBB	
O=C(O)COc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]	40545036	GXMKLIBNRYGBAQ-UHFFFAOYSA-N	276.588	1.620	5	40	CDBB	
O=C(Nn1cnnc1)c1ccc(Cl)cc1[N+](=O)[O-]	183651	XVKSJPUQEHIEFM-UHFFFAOYSA-N	267.632	1.224	5	40	CDBB	
COC(=O)c1cc(=O)c2c([N+](=O)[O-])ccc(OC)c2o1	381746	MFAQKJBSMLLXPX-UHFFFAOYSA-N	279.204	1.496	5	40	CDBB	
CC(C)N1C[C@H](Nc2ncccc2[N+](=O)[O-])CC1=O	60362902	XVXWYRFFJDDSKF-SECBINFHSA-N	264.285	1.411	5	40	CDBB	
Cc1nnc(Sc2nc([N+](=O)[O-])nn2C)s1	3655877	PBNLEVKUOHIVDA-UHFFFAOYSA-N	258.288	1.034	5	40	CDBB	
Cc1c(NC(=O)c2ccc(O)nn2)cccc1[N+](=O)[O-]	33028556	OFKWOXUGUWIBTG-UHFFFAOYSA-N	274.236	1.651	5	40	CDBB	
CC(=O)c1ccc(N2CC[C@H](O)C2)c([N+](=O)[O-])c1	61710606	QKSPSSAIFOZDLT-JTQLQIEISA-N	250.254	1.368	5	40	CDBB	
O=C1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1CCO	133165376	IMOIZGBKVZWIPE-NSHDSACASA-N	297.286	1.129	5	40	CDBB	
Cc1nnc(Sc2ccccc2[N+](=O)[O-])n1N	48399161	XWNXAESIJPBENK-UHFFFAOYSA-N	251.271	1.360	5	40	CDBB	
CS(=O)(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	20666763	NFFJVDNGUYBEIE-UHFFFAOYSA-N	267.266	1.184	5	40	CDBB	
O=C(CCCn1cc([N+](=O)[O-])cn1)NCc1ccncc1	4710487	RPGBOSOPTRXHLZ-UHFFFAOYSA-N	289.295	1.283	5	40	CDBB	
COc1cc([N+](=O)[O-])c(/C=C/C(=O)O)c(OC)c1OC	85392059	UPPPPZSVVMSHPJ-SNAWJCMRSA-N	283.236	1.718	5	40	CDBB	
O=C(NC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1	40556123	UVBIAKPLYUDUKQ-SNVBAGLBSA-N	264.281	1.751	5	40	CDBB	
Cc1cc(NC(=O)CN(C)C)c([N+](=O)[O-])cc1C	6051460	QXIIGKIJWDOKSY-UHFFFAOYSA-N	251.286	1.712	5	40	CDBB	
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@H]2CC[C@H]1C2	109039734	XUYQBNQVKHVWSI-RHYQMDGZSA-N	292.339	1.732	5	40	CDBB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21	5318789	AGKSLDXJPABPHL-UHFFFAOYSA-N	280.240	1.659	5	40	CDBB	
Cc1c(Cn2cnnc2[S@](C)=O)cccc1[N+](=O)[O-]	71804161	VEHQIGHGBWJWAH-LJQANCHMSA-N	280.309	1.280	5	40	CDBB	
O=[N+]([O-])c1cc(-n2cnnc2)ccc1N1CCCC1	70461796	UYKWYNSCPTUYHI-UHFFFAOYSA-N	259.269	1.776	5	40	CDBB	
CCN(CC(=O)NCCOC)Cc1ccccc1[N+](=O)[O-]	40087783	BRUJPJXLQBIWOO-UHFFFAOYSA-N	295.339	1.179	5	40	CDBB	
COc1cc(N2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-]	83843981	DSQMLFCHABBBES-GFCCVEGCSA-N	293.323	1.660	5	40	CDBB	
CCOc1ccc([N+](=O)[O-])cc1-n1nnnc1CC	25758288	SUDRSWDLGJIDSS-UHFFFAOYSA-N	263.257	1.532	5	40	CDBB	
O=C(NCCO)Nc1cc2cccnc2c2cccnc12	33661273	GRTLPCMVTNAFIU-UHFFFAOYSA-N	282.303	1.897	5	40	CDBB	
COc1c(C(=O)N2CCOCC2)cc(C)cc1[N+](=O)[O-]	72206660	JFCRGVONCINPAZ-UHFFFAOYSA-N	280.280	1.384	5	40	CDBB	
O=C(O)Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	33354022	NECAHMOLCOTMNH-UHFFFAOYSA-N	271.141	1.038	5	40	CDBB	
COC(=O)c1cc(Br)ncc1[N+](=O)[O-]	72265963	JVSYSLJNDBKBOH-UHFFFAOYSA-N	261.031	1.539	5	40	CDBB	
Cc1nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c(=O)n1C	4786458	IKERGEBMHOMUMY-UHFFFAOYSA-N	264.197	1.058	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	35085157	DJFQGBZJRMAHMS-UHFFFAOYSA-N	254.198	1.988	5	40	CDBB	
C[N+]1(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CCCCC1	4184651	KACLEKGODJDZPY-CRWXNKLISA-N	275.372	1.382	5	40	CDBB	
Cc1cc(C)n(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n1	2780238	KPCKZISPSZNLRZ-UHFFFAOYSA-N	291.311	1.952	5	40	CDBB	
O=C(NCCCN1CCCC1)c1cccc([N+](=O)[O-])c1	10450001	IWOMYBSPYNELCP-UHFFFAOYSA-N	277.324	1.811	5	40	CDBB	
CCOC[C@H](O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1	75611637	HDHLFFMAWCCLML-SMDDNHRTSA-N	282.340	1.985	5	40	CDBB	
CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	4427513	UMNGEAKUUOJPAX-UHFFFAOYSA-N	250.663	1.156	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)c1ccccc1	7344461	WPUNZQQRKINKCX-SNVBAGLBSA-N	288.307	1.977	5	40	CDBB	
Cc1n[nH]/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1	16971600	VICFGNKCAMXZPP-AATRIKPKSA-N	290.304	1.829	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCOCC2)c1	88698900	CXHLMFUFFOFUOI-GFCCVEGCSA-N	295.339	1.008	5	40	CDBB	
CC1=C(C(=O)O)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1	38856772	PLFQAOMHIGIJPC-VIFPVBQESA-N	276.248	1.557	5	40	CDBB	
C[C@H]1C[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1	95442699	NQRDQNYDNKOGAJ-JOYOIKCWSA-N	263.297	1.845	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	52507576	LTXIKDOJJNDAEZ-UHFFFAOYSA-N	250.254	1.982	5	40	CDBB	
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1	2071318	QCDRXWBOQJVWND-UHFFFAOYSA-N	265.225	1.739	5	40	CDBB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCNC1=O	12822156	MJICGNVMFLBPTN-UHFFFAOYSA-N	299.670	1.179	5	40	CDBB	
Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)C(F)F	4863490	FRWIUITWKHNDOD-UHFFFAOYSA-N	252.198	1.173	5	40	CDBB	
NC(=O)c1cccc(Nc2ncccc2[N+](=O)[O-])c1	71289461	OKUHWLDEQHXIOP-UHFFFAOYSA-N	258.237	1.832	5	40	CDBB	
O=C(NC1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	9314364	PIZFMXQGVBMMQO-UHFFFAOYSA-N	290.323	1.589	5	40	CDBB	
Nn1cnnc1Sc1ccc(Cl)cc1[N+](=O)[O-]	70462306	LNRZXWUTRFBVDE-UHFFFAOYSA-N	271.689	1.705	5	40	CDBB	
CCOC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	45953489	HVQJOUOSTPGHRS-SNVBAGLBSA-N	292.291	1.819	5	40	CDBB	
Cc1cccc(N2CCN(C(=O)N(C)C)CC2)c1[N+](=O)[O-]	195572316	LAKPCMFEESAQNW-UHFFFAOYSA-N	292.339	1.707	5	40	CDBB	
COc1cc(N[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-]	195575391	BKCHQLGZLCAUTH-KOLCDFICSA-N	252.270	1.929	5	40	CDBB	
O=[N+]([O-])c1cc(Br)c(F)c(CO)c1	306617754	RCZLXZRGIMIRDJ-UHFFFAOYSA-N	250.023	1.989	5	40	CDBB	
CN1CCN(c2cc(SCCO)ccc2[N+](=O)[O-])CC1	59386736	KWKCIVWHCNSPQQ-UHFFFAOYSA-N	297.380	1.431	5	40	CDBB	
Cc1c(CC(=O)O)c2c([N+](=O)[O-])cccc2c[n+]1C	1578093	VKGOKJOZMXZMAG-UHFFFAOYSA-O	261.257	1.508	5	40	CDBB	
C[C@H]1CCCCN1C(=O)CCn1ccc([N+](=O)[O-])n1	2780196	XMASOIKXYCYMTR-JTQLQIEISA-N	266.301	1.582	5	40	CDBB	
Cc1nccn1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	97085526	FGOKGZFRTOVSTM-UHFFFAOYSA-N	295.320	1.574	5	40	CDBB	
CNC(=O)CCN(C)c1ccc([N+](=O)[O-])cc1Cl	65514939	KJPXIGUQLGERJL-UHFFFAOYSA-N	271.704	1.821	5	40	CDBB	
COCCN1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1=O	302824182	WGVSYLBLWRAOFT-UHFFFAOYSA-N	297.286	1.029	5	40	CDBB	
CCOC(=O)[C@H](C)C(=O)NC(=O)c1ccc([N+](=O)[O-])cc1	5170955	GLSNKGIIZRGLAG-MRVPVSSYSA-N	294.263	1.050	5	40	CDBB	
COC(=O)c1ccc(Cn2c([N+](=O)[O-])cnc2C)o1	4632401	WDRMCHLBIIJUJB-UHFFFAOYSA-N	265.225	1.528	5	40	CDBB	
COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1	1467824	KEQHFDMJTZQKDN-NSHDSACASA-N	278.264	1.372	5	40	CDBB	
C[C@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1	75611308	SOIPLDKJVCNJAY-CYBMUJFWSA-N	279.296	1.532	5	40	CDBB	
COc1c2c(cc3c1[C@@H]([C@H](C)[N+](=O)[O-])N(C)CC3)OCO2	33345333	DMFKDBXYGPGBMW-QPUJVOFHSA-N	294.307	1.618	5	40	CDBB	biogenic
O=[N+]([O-])OCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	104350202	UTUMHAGEPUQRFP-UHFFFAOYSA-N	273.157	1.090	5	40	CDBB	
CC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	4052174	QDBHDRNQTORPRV-UHFFFAOYSA-N	250.254	1.634	5	40	CDBB	
O=C1N[C@H](c2csc([N+](=O)[O-])c2)Nc2ncccc21	69485867	OYJIVGZMPHAETG-SECBINFHSA-N	276.277	1.905	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1OC1CCNCC1	14631970	VQVKXYNFXMSOGW-UHFFFAOYSA-N	252.270	1.734	5	40	CDBB	
COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC(F)F	9579608	WSAFMMNHUKTIFQ-UHFFFAOYSA-N	263.152	1.903	5	40	CDBB	
O=[N+]([O-])c1cccnc1N1CCN(CC2CC2)CC1	71811744	BKZVIIQLYUPONB-UHFFFAOYSA-N	262.313	1.522	5	40	CDBB	
Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1[N+](=O)[O-]	9885507	JQIKZPWLQDWTHV-UHFFFAOYSA-N	280.206	1.087	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])c1ccc2nnnn2n1	32825000	BOWRVYFTZMKGAB-UHFFFAOYSA-N	285.267	1.064	5	40	CDBB	
COCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	5541186	FJEMPZPYMXHWLH-UHFFFAOYSA-N	252.270	1.670	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CCNC(=O)OCC(C)C	20030971	UVHJBMCUBTYQCK-UHFFFAOYSA-N	270.289	1.482	5	40	CDBB	
CSc1ccc(C(=O)NCC(=O)O)cc1[N+](=O)[O-]	3407188	WPXNZLGDXBPJBT-UHFFFAOYSA-N	270.266	1.131	5	40	CDBB	
C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1F	69847265	MYDFHETVNOUFHN-LLVKDONJSA-N	296.346	1.782	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccnc2)n1	4624568	AYEIVGRJIYHZGA-UHFFFAOYSA-N	275.268	1.136	5	40	CDBB	
NC(=O)c1ccc(-n2nnc3ccccc32)c([N+](=O)[O-])c1	7166420	LAACIVRKRANQJI-UHFFFAOYSA-N	283.247	1.428	5	40	CDBB	
Cc1ccccc1Cn1cc(C(=O)O)c([N+](=O)[O-])n1	408716293	LBYUMAPHWQXSDW-UHFFFAOYSA-N	261.237	1.846	5	40	CDBB	
NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	36666956	WGWQLRVJSXNMCD-UHFFFAOYSA-N	271.081	1.549	5	40	CDBB	
C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1	195529585	ILAHTDREINJOAK-IRUJWGPZSA-N	294.307	1.107	5	40	CDBB	
CNC(=O)[C@@H]1CCC[C@H]1Nc1cccc(OC)c1[N+](=O)[O-]	390835178	FZJNYSUTKLZHIV-NXEZZACHSA-N	293.323	1.930	5	40	CDBB	
CCCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCNC1	71330187	RHXFFIUAOOVKOF-SECBINFHSA-N	283.353	1.870	5	40	CDBB	
O=[N+]([O-])c1ccc(-n2nnnc2CN2CCCCC2)cc1	4129621	DBECUWKZQRWHIJ-UHFFFAOYSA-N	288.311	1.556	5	40	CDBB	
Cc1[nH]nc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-]	58217757	CIQHCCUPUWAKSM-VHSXEESVSA-N	294.311	1.410	5	40	CDBB	
C[C@H](CN1CCCC1=O)Nc1ccc([N+](=O)[O-])cn1	48287851	MDHLJRGPDARLBI-SECBINFHSA-N	264.285	1.413	5	40	CDBB	
CC(=O)N1CC[n+]2c(-c3ccc([N+](=O)[O-])cc3)csc21	15952669	ICMZPORYJMYECY-UHFFFAOYSA-N	290.324	1.977	5	40	CDBB	
O=C1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c2ccccc2N1	72288081	XZUIIJZUZYALHZ-KWQFWETISA-N	275.264	1.027	5	40	CDBB	
Cc1nn(C)c(NCCc2cncn2C)c1[N+](=O)[O-]	97108386	VZQGSJKSGBQRMD-UHFFFAOYSA-N	264.289	1.025	5	40	CDBB	
Cc1c(CSC[C@@H](O)CO)cccc1[N+](=O)[O-]	89540492	KBJDRSFYKMDDRS-JTQLQIEISA-N	257.311	1.490	5	40	CDBB	
CCOC(=O)Nn1c(C)nc2ccc([N+](=O)[O-])cc2c1=O	255189288	OXVUZUGRYPBRAK-UHFFFAOYSA-N	292.251	1.313	5	40	CDBB	
Nc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1	16952653	XXSADKPTPNGTJT-UHFFFAOYSA-N	251.158	1.135	5	40	CDBB	
O=c1[nH]c(O)nc(/C=C/c2ccc(F)cc2)c1[N+](=O)[O-]	4501607	VRYZGNADRIKCIK-ZZXKWVIFSA-N	277.211	1.693	5	40	CDBB	
NC(=O)c1nn(Cc2cccc(F)c2)cc1[N+](=O)[O-]	4594195	AHLLUUZANMZZAT-UHFFFAOYSA-N	264.216	1.078	5	40	CDBB	
O=C(O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	20200014	PIUYRRBJDYMNDK-UHFFFAOYSA-N	272.644	1.453	5	40	CDBB	
Cc1ccc(NC(=O)CCn2ccc([N+](=O)[O-])n2)nc1	374329	KJUXIRCQRUGOKE-UHFFFAOYSA-N	275.268	1.524	5	40	CDBB	
CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	10079727	PZAWQXQKVICVHR-UHFFFAOYSA-N	292.339	1.836	5	40	CDBB	
CCCn1c(C)nc2c(c(=O)c3ccccc3n2C)c1=O	5388923	TYFBHANBQJJSDV-UHFFFAOYSA-N	283.331	1.967	5	40	CDBB	
O=[N+]([O-])c1c(N2CCC[C@H](O)C2)nc2sccn12	8317423	AQHRYECPWCJNGM-ZETCQYMHSA-N	268.298	1.265	5	40	CDBB	
NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	89091785	GNMJJMKZNVAKPG-JOYOIKCWSA-N	299.352	1.001	5	40	CDBB	
NC(=O)[C@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1	97375143	JQUUSPNPBYIGSU-QWHCGFSZSA-N	277.324	1.729	5	40	CDBB	
C[C@H](CCO)NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	3067813	KCZICZNERIYIMK-VQCYPWCPSA-N	264.281	1.495	5	40	CDBB	
C[N+](C)(C)CCOCCCCCOCC[N+](C)(C)C	5535205	LNGAIPRQPRRZRU-UHFFFAOYSA-N	276.465	1.602	5	40	CDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)C[C@@H](C)O1	167771856	CVEAXXBKEOXWHB-HTQZYQBOSA-N	252.274	1.186	5	40	CDBB	
O=C(C[C@H]1SCCNC1=O)Nc1ccc([N+](=O)[O-])cc1	4736981	BAVCBFHHIXRAFP-SNVBAGLBSA-N	295.320	1.155	5	40	CDBB	
C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	29957881	ABPSBRQIXBWAHW-LLVKDONJSA-N	293.323	1.045	5	40	CDBB	
C[N+]1(CCC[N+]2(C)C[C@@H]3CC=CC[C@H]3C2)CCOCC1	1673473	KXJRKGQOIVIEDP-IRXDYDNUSA-N	280.456	1.896	5	40	CDBB	
CN1C(=O)C[C@H](C(=O)O)[C@H]1c1ccc([N+](=O)[O-])cc1	57961930	ODKSICZNRJLSRZ-GXSJLCMTSA-N	264.237	1.199	5	40	CDBB	
Cc1cc(NC(=O)CCn2nc([N+](=O)[O-])cc2C)no1	97114093	BSXBBAYNVUQWKI-UHFFFAOYSA-N	279.256	1.425	5	40	CDBB	
O=[N+]([O-])c1cccnc1N1CCC2(CC1)OCCO2	26705085	BTELQGPVXLCKEE-UHFFFAOYSA-N	265.269	1.333	5	40	CDBB	
Cc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)o1	13608329	FHJNVNQHBXQUCN-SNAWJCMRSA-N	263.209	1.456	5	40	CDBB	
C[C@@H](CNCc1cccc([N+](=O)[O-])c1)[S@](C)=O	95436245	BCRLWBAEDAPCGP-HUTHGQBESA-N	256.327	1.451	5	40	CDBB	
Cc1ccc(C)n1C1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1	89652245	NYGUGGAEYFMVJZ-KBPBESRZSA-N	291.351	1.934	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccccc1	31577223	NHWBJYAOSARRIE-UHFFFAOYSA-N	272.264	1.701	5	40	CDBB	
CC1([N+](=O)[O-])COC(c2ccc([N+](=O)[O-])cc2)OC1	3159325	KYWWYTXAEBODNL-UHFFFAOYSA-N	268.225	1.676	5	40	CDBB	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	3188207	QGLVMZIDDUDYQZ-SNVBAGLBSA-N	266.253	1.434	5	40	CDBB	
CC(C)(C(=O)Nc1ccccc1O)n1cc([N+](=O)[O-])cn1	95442655	UCTGENILCPHAOD-UHFFFAOYSA-N	290.279	1.871	5	40	CDBB	
CC(C)(NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)c(F)c1	75106218	PUMAJQYOGKZPBU-GZMMTYOYSA-N	284.262	1.981	5	40	CDBB	
Cn1nnnc1SCCOc1ccccc1[N+](=O)[O-]	48583308	DJAQUQDTXOTIGP-UHFFFAOYSA-N	281.297	1.289	5	40	CDBB	
CC(C)[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)O	35390907	XPOIBXFAUQCIOJ-NSHDSACASA-N	252.270	1.794	5	40	CDBB	
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C	33976196	HMJUDVFKNWNBOI-UHFFFAOYSA-N	258.299	1.408	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nc(Cn3cccn3)n[nH]2)cc1	40175897	BHZQSNUBWZFQDB-UHFFFAOYSA-N	270.252	1.625	5	40	CDBB	
Cc1nc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	1888888421	YTKZJCAFUJMHAD-UHFFFAOYSA-N	268.229	1.043	5	40	CDBB	
COc1ccc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1	210954	XTYXKLZQDSOFES-CMPLNLGQSA-N	250.254	1.292	5	40	CDBB	
O=C(OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1	3640900	IYGVERJUFJHECS-NSHDSACASA-N	251.238	1.931	5	40	CDBB	
CCNC(=O)[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	7643616	JUIINIVHUPHYSM-JARNTUPDSA-N	291.307	1.249	5	40	CDBB	
CC(C)CNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2086464	WKBFSYUMUJYVHB-UHFFFAOYSA-N	267.241	1.889	5	40	CDBB	
CC[C@@H](CO)NCc1ccc(NC)c([N+](=O)[O-])c1	71792485	QJIIAXLAETVQIV-JTQLQIEISA-N	253.302	1.497	5	40	CDBB	
CCNC(=S)NCCNc1ccccc1[N+](=O)[O-]	18162162	BYGNUUGKKQHYAA-UHFFFAOYSA-N	268.342	1.491	5	40	CDBB	
O=[N+]([O-])c1ccc(CN2CCOCC2)cc1[N+](=O)[O-]	44713540	FHOQFMBDEGJNLR-UHFFFAOYSA-N	267.241	1.335	5	40	CDBB	
CS(=O)(=O)CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	71857854	PXUHTJSQIJKTSB-UHFFFAOYSA-N	290.272	1.107	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](c2nnn[nH]2)C1	97234762	SEHAOBQDLZHLKP-QMMMGPOBSA-N	292.274	1.631	5	40	CDBB	
C[C@H](SC[C@H](O)CO)c1cccc([N+](=O)[O-])c1	95407573	DJPFJEDLYNVTKB-GZMMTYOYSA-N	257.311	1.742	5	40	CDBB	
COC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])cc1F	42684372	MZYCNIFZHNVGKA-UHFFFAOYSA-N	271.200	1.164	5	40	CDBB	
CC(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1C	13982449	FWZWFYMMOAYJFC-UHFFFAOYSA-N	253.283	1.736	5	40	CDBB	
CCn1[nH]cc/c1=N\C(=O)/C=C/c1cccc([N+](=O)[O-])c1	102172948	OYYODQDLOUBSJR-SNRYRNFVSA-N	286.291	1.885	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CCCO1	2779603	LYJQSYDBFJAZPH-PSASIEDQSA-N	282.300	1.109	5	40	CDBB	
CCOC(=O)Cc1ccc(CC(=O)OCC)c([N+](=O)[O-])c1	3845559	HKGRJSVGBHHIHF-UHFFFAOYSA-N	295.291	1.806	5	40	CDBB	
COC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1	33040365	ZBGSZWWRCGBOET-QMMMGPOBSA-N	253.258	1.751	5	40	CDBB	
Cc1ccn(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)n1	6925287	HJOWUCMJJJRELK-UHFFFAOYSA-N	290.279	1.834	5	40	CDBB	
Nc1ncncc1CNC(=O)Nc1cccc([N+](=O)[O-])c1	84380235	ISAITUKFWMSKLF-UHFFFAOYSA-N	288.267	1.289	5	40	CDBB	
CCN1CCO[C@H](COc2cccc([N+](=O)[O-])c2)C1	217502247	KWDANWBUNBFMCE-ZDUSSCGKSA-N	266.297	1.694	5	40	CDBB	
C[C@@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)[S@](C)=O	97103721	LYBYAJXTPUUHCI-GWNMQOMSSA-N	299.352	1.873	5	40	CDBB	
Cc1[nH]nc(C(=O)Nc2cc(F)ccc2O)c1[N+](=O)[O-]	75093930	JQTVAFHQLNMOOS-UHFFFAOYSA-N	280.215	1.723	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nccs1	995715	ANMCEFNNAFUIBR-UHFFFAOYSA-N	253.243	1.037	5	40	CDBB	
CCC(CC)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	6119958	DMQVAFKWPZRODV-UHFFFAOYSA-N	267.285	1.061	5	40	CDBB	
C[C@@]12CN(CC[N+](C)(C)C)C[C@@]1(C)[C@@H]1CC[C@@H]2O1	100133333	XJMRUUTZITWJJO-AJNGGQMLSA-N	253.410	1.582	5	40	CDBB	in-vitro
Cc1cccc(=O)n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	8861676	VRIYEQPSEFRNGO-UHFFFAOYSA-N	294.288	1.302	5	40	CDBB	
O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cccc([N+](=O)[O-])c1	4392603	XKCBQNUKULOCKR-SECBINFHSA-N	298.320	1.358	5	40	CDBB	
Cc1nccn1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	5728752	SNWSYACKEMFRDC-LLVKDONJSA-N	277.280	1.540	5	40	CDBB	
O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC1	96005979	GYDVHEHQIXZJOK-LBPRGKRZSA-N	275.264	1.320	5	40	CDBB	
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1	60645095	DUGHOKQXNRLQGL-UHFFFAOYSA-N	263.297	1.549	5	40	CDBB	
Cc1nn(CC(=O)N[C@@H](C)C(C)C)c(C)c1[N+](=O)[O-]	8327491	ATKDPMMRZLKERS-QMMMGPOBSA-N	268.317	1.569	5	40	CDBB	
O=[N+]([O-])c1ccccc1CN1CCN(c2cnccn2)CC1	43754403	FGCGGMKFFXVKAA-UHFFFAOYSA-N	299.334	1.707	5	40	CDBB	
COC(=O)c1ccn(-c2ccc(F)cc2[N+](=O)[O-])n1	96372316	FEVLJHLQBASEGG-UHFFFAOYSA-N	265.200	1.706	5	40	CDBB	
O=[N+]([O-])c1ncn(C[C@H](O)c2cccc(Cl)c2)n1	95438935	CQODIAOGNHUOQE-VIFPVBQESA-N	268.660	1.573	5	40	CDBB	
C[C@H](C[S@@](C)=O)N(C)c1cccc(F)c1[N+](=O)[O-]	225601808	OXUKTHRBHBRFRN-NTCNTBNZSA-N	274.317	1.937	5	40	CDBB	
O=C(O)CCCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	2031759	VRPPKZLUGZULNT-RXMQYKEDSA-N	294.518	1.883	5	40	CDBB	
O=C1c2ccccc2C(=O)N1c1nc([N+](=O)[O-])cs1	4996353	FTEHJRRDHDKBFQ-UHFFFAOYSA-N	275.245	1.852	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)[C@H](O)n1ncnc1S2	545352	YRPGNKJOKGQCKN-QMMMGPOBSA-N	250.239	1.190	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nccs2)cc1	77656923	SESBDRXSEPJYSL-UHFFFAOYSA-N	299.333	1.530	5	40	CDBB	
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCO	5514334	JLNFDELWFKJPLV-UHFFFAOYSA-N	286.243	1.336	5	40	CDBB	
CC(C)(CNc1ccc(F)cc1[N+](=O)[O-])S(C)(=O)=O	96452681	FGTMOSSCHZCQFH-UHFFFAOYSA-N	290.316	1.969	5	40	CDBB	
CC(C)N(CCO)Cc1ccc([N+](=O)[O-])cc1F	89869590	FHCWPIRGWGQRRX-UHFFFAOYSA-N	256.277	1.937	5	40	CDBB	
CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	70980030	YVPDYEGQCNQYFT-CYBMUJFWSA-N	298.364	1.604	5	40	CDBB	
CCOC(=O)[C@@H]1CS[C@H](c2ccccc2[N+](=O)[O-])N1	98072894	YTOUCUNGCSGZFG-GXSJLCMTSA-N	282.321	1.862	5	40	CDBB	
O=[N+]([O-])c1cnc(NCc2cccnc2)nc1NC1CC1	32777857	DEIWPUSGEBTPMS-UHFFFAOYSA-N	286.295	1.966	5	40	CDBB	
Cc1cc(C)n(C(=O)[C@@H](C)n2cc([N+](=O)[O-])c(C)n2)n1	2776774	PHNDIFUVQPJNAI-SNVBAGLBSA-N	277.284	1.814	5	40	CDBB	
CCCCn1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)n1	2341609	SBZYJZQXPGLLLZ-UHFFFAOYSA-N	280.244	1.227	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCS1	89764490	VFHYCOLMBIVCMB-JTQLQIEISA-N	284.341	1.193	5	40	CDBB	
CCS(=O)(=O)[C@H](C)[C@H](O)c1cccc([N+](=O)[O-])c1	96519401	DDBJXXUPETWBKC-KCJUWKMLSA-N	273.310	1.451	5	40	CDBB	
CN(CCN1CCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1	13758068	IBOKJUAXDYEXAI-UHFFFAOYSA-N	291.351	1.692	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)c(S(=O)(=O)O)cc1nonc12	1578494	IINSJYCETWCITA-UHFFFAOYSA-N	295.232	1.531	5	40	CDBB	in-vitro
O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1NC1CC1	4922985	JTPDPKVKBDBITL-UHFFFAOYSA-N	295.686	1.642	5	40	CDBB	
COc1ccccc1Nc1c(C(=O)O)nn(C)c1[N+](=O)[O-]	6397115	BTSUCOSQJQGKNM-UHFFFAOYSA-N	292.251	1.779	5	40	CDBB	
CO[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C	71799837	SPNPMGZIRCBOCC-IUCAKERBSA-N	264.281	1.907	5	40	CDBB	
CSC[C@H](CCO)Nc1c([N+](=O)[O-])c(C)nn1C	77236959	HQYLISGHCGXACN-QMMMGPOBSA-N	274.346	1.163	5	40	CDBB	
Cc1ccnc(N2CC[C@H](c3cc(O)n[nH]3)C2)c1[N+](=O)[O-]	585141509	AUYXYDZTRDZWMB-VIFPVBQESA-N	289.295	1.721	5	40	CDBB	
C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1	11298700	QBUFJRRWPMUWBG-JTQLQIEISA-N	280.280	1.221	5	40	CDBB	
Cc1cc(C)n(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)n1	151977	AFQIREBZPJZPEY-ZDUSSCGKSA-N	291.307	1.848	5	40	CDBB	
C[C@@H]1C[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C(=O)O1	39983357	BNYDYHYCISOEPY-LDWIPMOCSA-N	255.201	1.817	5	40	CDBB	
Cc1cc(C)cc(OC[C@H](O)Cn2cnc([N+](=O)[O-])n2)c1	95974826	SRUVDBFVVWJJJP-LLVKDONJSA-N	292.295	1.243	5	40	CDBB	
Cc1nn(C)c(NC[C@@H](C)N2CCOC[C@@H]2C)c1[N+](=O)[O-]	79002714	YAMKWBNXDRIVPK-ZJUUUORDSA-N	297.359	1.158	5	40	CDBB	
CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C12CCC2	96424088	KUCJPEXVTMLFRA-NXEZZACHSA-N	293.327	1.727	5	40	CDBB	
Cc1nc2cc([N+](=O)[O-])cc(N3CCCC3)c2c(=O)n1C	6659393	UKJXLSIAKZHAOE-UHFFFAOYSA-N	288.307	1.750	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])cnc1Sc1ncccn1	1573351	XOUGNVDLEQFPDS-UHFFFAOYSA-N	277.265	1.030	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCOCC1	4321177	PWLNTHFOHSXATC-UHFFFAOYSA-N	297.223	1.038	5	40	CDBB	
Cc1ccnc(NCCc2cncn2C)c1[N+](=O)[O-]	97108372	URKKSQJFSAPXBU-UHFFFAOYSA-N	261.285	1.686	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@@H](C)C2)n1	2777678	NYAUHBBSMFPXIB-IUCAKERBSA-N	282.300	1.061	5	40	CDBB	
CN(C)C(=O)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-]	47513558	BWAPUMPDLIHCSH-BQYQJAHWSA-N	291.307	1.203	5	40	CDBB	
CN(Cc1cccc([N+](=O)[O-])c1)c1ncnc2c1cnn2C	25581202	NIUMNGDFIIJQEK-UHFFFAOYSA-N	298.306	1.908	5	40	CDBB	
CO[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1	69973400	YQPPLBSDSKEESM-LLVKDONJSA-N	251.286	1.913	5	40	CDBB	
CCn1c(Cn2cnc([N+](=O)[O-])n2)nc2cc(F)ccc21	69561401	IHCJLEWIFFXMLA-UHFFFAOYSA-N	290.258	1.743	5	40	CDBB	
CC(C)NC(=O)CN(C)Cc1cc(F)ccc1[N+](=O)[O-]	36392053	RRJXWEIEBISLLJ-UHFFFAOYSA-N	283.303	1.690	5	40	CDBB	
O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@@H](O)C2	178979	HGUJHFLMLANSQL-WMEQCIOUSA-N	263.317	1.696	5	40	CDBB	
CC(C)NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1	4870772	YSMRAJREVGQNFE-VOTSOKGWSA-N	292.291	1.676	5	40	CDBB	
N[C@H]1CC[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12	195562271	HEDFEIAKBWDXRK-WCQGTBRESA-N	275.308	1.404	5	40	CDBB	
CO[C@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cn2)n1	96449438	DMUOXGYRANRGNK-MRVPVSSYSA-N	293.283	1.717	5	40	CDBB	
O=C(O[C@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1Cl	11029013	INWMNUCRXNTMET-VIFPVBQESA-N	285.639	1.721	5	40	CDBB	
COCCNc1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-]	17356444	FXYZVTGTNOIAAM-UHFFFAOYSA-N	293.323	1.889	5	40	CDBB	
CCOC(=O)c1ccc(N2CCN[C@H](C)C2)c([N+](=O)[O-])c1	15443388	MORZRCXNYYBTRA-SNVBAGLBSA-N	293.323	1.570	5	40	CDBB	
CCNC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	18704013	HVSUNACEJZKCKH-SSDOTTSWSA-N	299.714	1.503	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1/C=C/Cn1cc([N+](=O)[O-])nc1C	13216697	NCGYBIBAMCQSSU-ONEGZZNKSA-N	292.255	1.684	5	40	CDBB	
O=[N+]([O-])c1c(NCCN2CCOCC2)nc2sccn12	23674504	DNXODLWUWZEIEA-UHFFFAOYSA-N	297.340	1.048	5	40	CDBB	
C=Cn1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	10119598	ATOFOJBAQWATOU-UHFFFAOYSA-N	274.240	1.243	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCCC1	71799748	CFMKRBSWWZUMJC-UHFFFAOYSA-N	280.280	1.605	5	40	CDBB	
COc1ccc(NC(=O)c2cnn(C)c2)cc1[N+](=O)[O-]	97370216	PWCNCMMLGJXLHE-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(N[C@H](C(N)=O)C(C)C)c1	95975057	RQYPOIPCRMOQPE-NSHDSACASA-N	251.286	1.825	5	40	CDBB	
Cc1ccc/c(=N/S(=O)(=O)c2ccc([N+](=O)[O-])s2)[nH]1	96408024	RJHCNBWIRRKPHI-UHFFFAOYSA-N	299.333	1.582	5	40	CDBB	
CCOC[C@H](O)COc1cc(F)ccc1[N+](=O)[O-]	193821419	KJKANYLWWSAMBQ-VIFPVBQESA-N	259.233	1.510	5	40	CDBB	
CC[C@](C)(NCc1ccc([N+](=O)[O-])cc1F)C(N)=O	89941960	QFECYLMSMJPCAZ-LBPRGKRZSA-N	269.276	1.478	5	40	CDBB	
Cc1cc(NC(=O)N2CC[C@H](O)C2)ccc1[N+](=O)[O-]	153746862	UJDVFQWVJHJYEQ-JTQLQIEISA-N	265.269	1.502	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)OCO2	1425702	UACRITKPTJGTDI-UHFFFAOYSA-N	290.235	1.159	5	40	CDBB	
Cc1cc(C)n(C(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)n1	4686650	XYOFXAPUQJNLQF-SECBINFHSA-N	263.257	1.506	5	40	CDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)N1	2788608	HNPKDEDJNOBPTB-MWLCHTKSSA-N	265.225	1.191	5	40	CDBB	
C[C@H](Cn1cncn1)N[C@H](C)c1ccc([N+](=O)[O-])cc1	95421204	SHMWKPQQPHAEOH-GHMZBOCLSA-N	275.312	1.926	5	40	CDBB	
C[C@@]1(CO)CCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1	95427205	HCQKTYWXTBSXOG-HIFRSBDPSA-N	292.335	1.805	5	40	CDBB	
CS(=O)(=O)c1cc(Cl)c(C=O)c([N+](=O)[O-])c1	154149	HYVAEELAYGZPEZ-UHFFFAOYSA-N	263.658	1.464	5	40	CDBB	
CCS(=O)(=O)c1nnc(-c2ccccc2[N+](=O)[O-])n1C	96191918	VGMOVYXMCIBJQG-UHFFFAOYSA-N	296.308	1.184	5	40	CDBB	
Cc1nn([C@H](C)C(=O)N[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-]	2777637	RXLIUSMZLKZTSX-CKYFFXLPSA-N	296.327	1.344	5	40	CDBB	
CC(=O)c1ccc(N[C@H](C(N)=O)C(C)C)c([N+](=O)[O-])c1	95427453	UFLLAGVEKAYWFU-LBPRGKRZSA-N	279.296	1.719	5	40	CDBB	
O=C(NCc1noc([C@H]2C[C@H]2[N+](=O)[O-])n1)c1ccccc1	75609917	ZIYBZDRTYDHWKV-VHSXEESVSA-N	288.263	1.132	5	40	CDBB	
Cc1c(OCC(=O)N2CCC2)cccc1[N+](=O)[O-]	59012698	ATUPPULSKFODRM-UHFFFAOYSA-N	250.254	1.514	5	40	CDBB	
C[C@H]1CCCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-]	12997756	HGXLTUMRMMOLGO-JTQLQIEISA-N	288.307	1.982	5	40	CDBB	
O=C(NC[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-]	9256890	FXVISIAXCUOUIW-SECBINFHSA-N	265.269	1.895	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1NCCCNS(C)(=O)=O	84093474	AMOJIXJKOACUDD-UHFFFAOYSA-N	287.341	1.254	5	40	CDBB	
COCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	409149012	VUKXHVUPKGIRPJ-SOFGYWHQSA-N	298.276	1.871	5	40	CDBB	
C[N@+]12CCCC[C@H]1[C@@H](N1C(=O)CCCC1=O)CCC2	247644234	JBUTUZWQGOBNHH-GDZNZVCISA-N	265.377	1.687	5	40	CDBB	biogenic,in-vitro
C[N@+]12CCCC[C@@H]1[C@H](CON1C(=O)CCC1=O)CCC2	254498736	QQJOVQVFUJPRNJ-OGHNNQOOSA-N	281.376	1.476	5	40	CDBB	
Cc1cccc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)n1	4623213	NFQUIEVQHKBGOR-SECBINFHSA-N	275.268	1.694	5	40	CDBB	
CS(=O)(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1	521639	UIJJBKMUKAUQHO-JTQLQIEISA-N	288.350	1.602	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCc2sccc2C1	28506460	RBDZMGBQEFWIBS-UHFFFAOYSA-N	292.320	1.438	5	40	CDBB	
NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	66568871	OLIXTEIZCSKSME-UHFFFAOYSA-N	281.087	1.005	5	40	CDBB	
O=[N+]([O-])c1c(N2CCC[C@@H](O)C2)nc2sccn12	8317427	AQHRYECPWCJNGM-SSDOTTSWSA-N	268.298	1.265	5	40	CDBB	
CN1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)C1=O	71915734	FNDQEPPSWFLZKP-SECBINFHSA-N	269.326	1.319	5	40	CDBB	
CC(C)[C@@H](CO)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1	78901623	OPZSSDFNUUDSEF-GXFFZTMASA-N	295.339	1.972	5	40	CDBB	
Cc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2C(N)=O)n1	70462403	AVEWCXPRFWFUGH-UHFFFAOYSA-N	279.281	1.271	5	40	CDBB	
CCS(=O)(=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1	96510040	BNMYPBZTSVBELB-SNVBAGLBSA-N	259.283	1.063	5	40	CDBB	
CSCC[C@H](C)N(C)c1ncc([N+](=O)[O-])c(N)n1	74770130	SQBCPPAHDFZVSN-ZETCQYMHSA-N	271.346	1.545	5	40	CDBB	
O=C(O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	5007258	VCQMCHGKMHNJJB-UHFFFAOYSA-N	281.249	1.822	5	40	CDBB	
CC[N+](C)(CC)CCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23	5352050	VAWLLNDWJKBKHF-BJJPWKGXSA-N	296.387	1.214	5	40	CDBB	
CCN1CCN(c2ccc([N+](=O)[O-])cc2N)CC1	52840082	YPPYKKVXBCPRAX-UHFFFAOYSA-N	250.302	1.319	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Cl)ccc1F	48222819	PHDXHUSMRNJAEZ-UHFFFAOYSA-N	299.649	1.618	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1	5670064	QKNRBSGKIHXJRD-UHFFFAOYSA-N	291.223	1.489	5	40	CDBB	
Cc1nc(N[C@@H]2CCCN(C(N)=O)C2)ccc1[N+](=O)[O-]	96011314	GHMCCPVYVKOXKR-SECBINFHSA-N	279.300	1.253	5	40	CDBB	
C[C@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1	36385383	RINBQNANAFOJQD-WDEREUQCSA-N	293.323	1.643	5	40	CDBB	
Nc1nc(NCCc2cccc(F)c2)ncc1[N+](=O)[O-]	48546483	ZFDQPTHQFDHALO-UHFFFAOYSA-N	277.259	1.761	5	40	CDBB	
CCCCc1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1	96468007	SMGYTMHLSXTMTM-UHFFFAOYSA-N	278.268	1.530	5	40	CDBB	
CCOc1ccccc1[C@H]1NC(=O)CC[C@@H]1[N+](=O)[O-]	90874	QCTXZKINYPLXNX-GXFFZTMASA-N	264.281	1.682	5	40	CDBB	
COc1ccc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1	210951	XTYXKLZQDSOFES-JQWIXIFHSA-N	250.254	1.292	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1NCCOc1cccc(F)c1	29624284	CMYZQWFGDBABAV-UHFFFAOYSA-N	280.259	1.958	5	40	CDBB	
CN(C(=O)CN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1	22060659	RANNSSFVWLNSKE-UHFFFAOYSA-N	293.323	1.014	5	40	CDBB	
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@H]2CO)n1	4350584	HHQSPRXRDUGFMO-QMMMGPOBSA-N	286.719	1.698	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccccc2)no1	16686710	MQPJLHRTCVRYCU-UHFFFAOYSA-N	298.258	1.855	5	40	CDBB	
Cc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	95406105	MMFDFBXDZPQOAF-LLVKDONJSA-N	298.364	1.774	5	40	CDBB	
O=[N+]([O-])c1cc(S(=O)(=O)n2ccnc2)ccc1Cl	27587856	NVTXLRICMWCLPL-UHFFFAOYSA-N	287.684	1.682	5	40	CDBB	
NC(=O)c1ccc(OC(F)(F)F)cc1[N+](=O)[O-]	230486792	FYNZURGLQYBZGO-UHFFFAOYSA-N	250.132	1.592	5	40	CDBB	
Cc1c(COC(=O)c2nccnc2N)cccc1[N+](=O)[O-]	50692093	GEDVLDYXCMTYLL-UHFFFAOYSA-N	288.263	1.632	5	40	CDBB	
Cc1cc([C@H]2CCCN2c2c([N+](=O)[O-])ncn2C)no1	29527332	QBWHOYZICGAUET-SNVBAGLBSA-N	277.284	1.966	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1nccs1	2788329	ZBTIYTPOMLNHHF-ZETCQYMHSA-N	295.324	1.831	5	40	CDBB	
Cc1cc(C(=O)OCc2cnn(C)c2)cc([N+](=O)[O-])c1	49155859	MZZHADJCHXUONS-UHFFFAOYSA-N	275.264	1.994	5	40	CDBB	
CC1=C([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	4314470	ZSXSYCIZQRDPGW-SECBINFHSA-N	278.224	1.457	5	40	CDBB	
Cc1cc(C(=O)N(C)CC(=O)N(C)C)ccc1[N+](=O)[O-]	8096381	STQQDSNUHFQVQW-UHFFFAOYSA-N	279.296	1.063	5	40	CDBB	
Cc1cc(OCC(=O)NC(C)C)c(F)cc1[N+](=O)[O-]	185682924	WQHGPWMEWLWLBZ-UHFFFAOYSA-N	270.260	1.946	5	40	CDBB	
C[C@@](Cl)([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96520250	CVQBNIFMONIZQY-UWVGGRQHSA-N	293.728	1.628	5	40	CDBB	
O=C1NCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1	5513665	YNKVNKKFWQLQDM-UHFFFAOYSA-N	250.214	1.152	5	40	CDBB	
Cc1cc(C)n(C(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)n1	4686651	XYOFXAPUQJNLQF-VIFPVBQESA-N	263.257	1.506	5	40	CDBB	
COc1cc([C@@H](N)CC(=O)O)c([N+](=O)[O-])cc1OC	2511680	ZDNOZXAOAKAJGC-ZETCQYMHSA-N	270.241	1.087	5	40	CDBB	
O=C(O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	3888952	YLZSNFZNVCUXMM-UHFFFAOYSA-N	252.226	1.130	5	40	CDBB	in-vitro
CC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	3884164	XVHYVLUSJNHBKN-UHFFFAOYSA-N	250.254	1.634	5	40	CDBB	in-vitro
Cn1cc([N+](=O)[O-])c(C(=O)c2cccc([N+](=O)[O-])c2)n1	4014796	CLQFAKZOEYHFTF-UHFFFAOYSA-N	276.208	1.468	5	40	CDBB	
Cc1nn([C@H](C)C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-]	6399508	RXLIUSMZLKZTSX-UMNHJUIQSA-N	296.327	1.344	5	40	CDBB	
NC(=O)NCCCNc1ccc([N+](=O)[O-])cc1Cl	4740998	ZVBWMBLGHLPKDZ-UHFFFAOYSA-N	272.692	1.719	5	40	CDBB	
COc1c2c(cc3c1[C@H]([C@@H](C)[N+](=O)[O-])N(C)CC3)OCO2	20410810	DMFKDBXYGPGBMW-PELKAZGASA-N	294.307	1.618	5	40	CDBB	biogenic
O=[N+]([O-])/C=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1	409005070	CIFDBEODBUNPCM-ARJAWSKDSA-N	279.252	1.679	5	40	CDBB	
C[C@H](N[C@H](C(=O)O)C(C)(C)[N+](=O)[O-])c1ccccc1	75411835	ZHUMAKNXBGYCDQ-GXSJLCMTSA-N	266.297	1.846	5	40	CDBB	
O=C(NC1CC1)[C@@H]1CCCN1c1cccc(F)c1[N+](=O)[O-]	134894718	UMVJMZNMKWYEPS-LBPRGKRZSA-N	293.298	1.981	5	40	CDBB	
COC(=O)c1ccoc1Cn1c([N+](=O)[O-])cnc1C	96455717	KHIIMNVMPHQPQP-UHFFFAOYSA-N	265.225	1.528	5	40	CDBB	
O=[N+]([O-])c1cc2nc(N3CCOCC3)[nH]c2cc1[N+](=O)[O-]	5530609	FPMFXAVGFDYILL-UHFFFAOYSA-N	293.239	1.216	5	40	CDBB	
C[n+]1c2ccc([N+](=O)[O-])cc2n2cc([N+](=O)[O-])ccc21	239562955	NEBZNDACRISGLD-UHFFFAOYSA-N	273.228	1.733	5	40	CDBB	
O=C(NC[C@@H]1CCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc12	32796720	OKLNXPNMSVTTLK-VIFPVBQESA-N	290.279	1.380	5	40	CDBB	
O=[N+]([O-])c1c(NCCCO)ccc2nsnc12	4142780	JPFKBAQKSKPCDZ-UHFFFAOYSA-N	254.271	1.394	5	40	CDBB	
Cc1ccc(C(=O)/N=c2/ccccn2C)cc1[N+](=O)[O-]	12856398	KTPKOVUIPGZVOC-SQFISAMPSA-N	271.276	1.983	5	40	CDBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(O)CC1	5862275	GKGCPWOZAGTHMX-UHFFFAOYSA-N	250.254	1.192	5	40	CDBB	
Nc1nc(Cn2cc([N+](=O)[O-])cn2)nc2ccccc12	71915109	MPKSEBNFQJPZQV-UHFFFAOYSA-N	270.252	1.365	5	40	CDBB	
Cc1nccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1	95365057	DUXZGMGDWNKOPI-UHFFFAOYSA-N	284.275	1.896	5	40	CDBB	
NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	89091783	GNMJJMKZNVAKPG-BXKDBHETSA-N	299.352	1.001	5	40	CDBB	
CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2)no1	33632016	WENRKLMDTCNBQX-UHFFFAOYSA-N	276.252	1.470	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1Cc1nnc2n1CCCCC2	72334106	MWWXCNDZUWESAC-UHFFFAOYSA-N	276.300	1.466	5	40	CDBB	
CSCC[C@@H](C)N(C)c1ncc([N+](=O)[O-])c(N)n1	74770133	SQBCPPAHDFZVSN-SSDOTTSWSA-N	271.346	1.545	5	40	CDBB	
COC(=O)CCC(CCC(=O)OC)[N+]1(C)CC=CC1	3847340	HKWDVGCSMSQTIW-UHFFFAOYSA-N	270.349	1.278	5	40	CDBB	
CC(=O)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1707800	MHILDUHYQYTJEB-UHFFFAOYSA-N	282.208	1.639	5	40	CDBB	
COC(=O)C(C)(C)ONC(=O)Nc1ccc([N+](=O)[O-])cc1	4164000	PHZGGGDVACMPGH-UHFFFAOYSA-N	297.267	1.600	5	40	CDBB	
Cc1cc(NC(=O)CNc2cccc([N+](=O)[O-])c2)on1	24224049	JSAKPKWMNMEQQP-UHFFFAOYSA-N	276.252	1.942	5	40	CDBB	
COC(=O)[C@H](C(C)=O)C(=O)c1ccccc1[N+](=O)[O-]	100399710	RWVBRHFWPGNIHG-SNVBAGLBSA-N	265.221	1.156	5	40	CDBB	
Cc1nn(CC(=O)Nc2ccccc2O)c(C)c1[N+](=O)[O-]	9532676	OQBXSZBRPJQPON-UHFFFAOYSA-N	290.279	1.752	5	40	CDBB	
COC[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-]	5671511	QEGSURZXOOKNLU-VIFPVBQESA-N	252.270	1.288	5	40	CDBB	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCSCC1	20606245	FYQWRHYTUSWRLD-JTQLQIEISA-N	296.348	1.938	5	40	CDBB	
NC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	60363050	NQBSSVIVJINNBX-UHFFFAOYSA-N	298.730	1.839	5	40	CDBB	
C[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	54370003	GZQMNMLOZUVAJN-QMMMGPOBSA-N	283.715	1.682	5	40	CDBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC1CCCC1	3279826	ANNRPWFQQBUJOH-UHFFFAOYSA-N	282.252	1.403	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3ccco3)CC2)nc1	14679474	LUHBATWEDXGELL-UHFFFAOYSA-N	288.307	1.905	5	40	CDBB	
Cc1nnc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)s1	9217306	LOPYWOMUQTVZRB-UHFFFAOYSA-N	296.312	1.207	5	40	CDBB	
N=C(N)SCc1cc([N+](=O)[O-])cc2c1OCOC2	7715584	AXXYGXVRGXBZRV-UHFFFAOYSA-N	269.282	1.588	5	40	CDBB	
O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccon1	95442747	PNMLEFDZJVKXIT-UHFFFAOYSA-N	290.279	1.625	5	40	CDBB	
O=C(NC[C@H]1CCCO1)C1(c2ccc([N+](=O)[O-])cc2)CC1	225990636	BBALKGDWUKIHLD-CYBMUJFWSA-N	290.319	1.922	5	40	CDBB	
C[C@H]1CC(=O)N=C(SC(=O)c2cccc([N+](=O)[O-])c2)N1	5677299	FWZXKYWFQUODJV-ZETCQYMHSA-N	293.304	1.733	5	40	CDBB	
Cn1c(=O)c2c(cn3ccc4ccccc4c23)n(C)c1=O	117570	ASZMXDJUWGHDFR-UHFFFAOYSA-N	279.299	1.643	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)N1	4321355	ODAGIQIWCQSUQH-IUCAKERBSA-N	280.284	1.690	5	40	CDBB	
CCCOC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	8131248	MOTBZAVTBZYSKE-UHFFFAOYSA-N	280.280	1.668	5	40	CDBB	
CCCN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1	12627732	DJNNNFRAYDQOLU-UHFFFAOYSA-N	289.339	1.775	5	40	CDBB	
COC[C@H](C)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-]	28802086	KYOWDGBBXWPIJQ-VIFPVBQESA-N	298.295	1.133	5	40	CDBB	
CC(C)(C)N(CC(N)=O)Cc1ccc([N+](=O)[O-])cc1F	96474597	VEHMBSIHABKSEQ-UHFFFAOYSA-N	283.303	1.820	5	40	CDBB	
C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[C@H]2CC[C@H]1C2	102592982	GRISJYFIOPYNHE-RCWTZXSCSA-N	292.339	1.883	5	40	CDBB	
O=C(O)c1ccc(=O)n(-c2ccc([N+](=O)[O-])cc2)c1	32919085	FMHCQGXBPBZUBY-UHFFFAOYSA-N	260.205	1.444	5	40	CDBB	
O=C(O[C@@H]1CCOC1=O)c1cc(Cl)ccc1[N+](=O)[O-]	3247516	VOHWOWJJXJSYOF-SECBINFHSA-N	285.639	1.721	5	40	CDBB	
CC(C)CNC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	28004770	NAJJFTLSBAOLEZ-UHFFFAOYSA-N	293.279	1.275	5	40	CDBB	
NCCCn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	408715788	DQRPXUDSUKHSMC-UHFFFAOYSA-N	282.222	1.471	5	40	CDBB	
NC(=O)CCn1ccc(NCc2cccc([N+](=O)[O-])c2)n1	95427579	WSWXFSWEYRQNON-UHFFFAOYSA-N	289.295	1.279	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)c1nc[nH]n1	95455215	YJFPNHFBYZALSD-SSDOTTSWSA-N	291.267	1.673	5	40	CDBB	
Cc1cccc(OCC(=O)c2cnn(C)c2)c1[N+](=O)[O-]	89688887	QIJGAJRKDCHSFZ-UHFFFAOYSA-N	275.264	1.898	5	40	CDBB	
CC[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	408716295	LCCUOGGZTIGDCD-YFKPBYRVSA-N	297.189	1.768	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CC[C@@H](CN3CCOCC3)C2)cc1	78405061	CQLFBFFUMWZZPH-ZDUSSCGKSA-N	291.351	1.753	5	40	CDBB	
C[C@@H]1CCC[C@@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	195562714	JAPFIRDWBMDHAF-BDAKNGLRSA-N	299.352	1.843	5	40	CDBB	
O=c1c2cc([N+](=O)[O-])ccc2nnn1-c1ccccc1	239563043	REYPRKINSNFECH-UHFFFAOYSA-N	268.232	1.689	5	40	CDBB	
COc1cc2c(cc1OC)[C@H](C[N+](=O)[O-])N(C)CC2	20112915	LKCPVTREMUUIHN-NSHDSACASA-N	266.297	1.510	5	40	CDBB	biogenic
CNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl	3325820	OQGFQXACQDXFBQ-UHFFFAOYSA-N	272.644	1.151	5	40	CDBB	
C[C@H](CN1CCCC1=O)Nc1ncccc1[N+](=O)[O-]	48332872	QEDQJGMVGOKKPH-SECBINFHSA-N	264.285	1.413	5	40	CDBB	
C[C@H]1Cc2cccc3c4oc(=O)cc(O)c4c(=O)n1c23	6556268	FHMBSXJPLDOCKT-ZETCQYMHSA-N	269.256	1.931	5	40	CDBB	
O=C(CCCn1cc([N+](=O)[O-])cn1)NCc1ccccc1	4623310	PAWQMQWLLLKJSI-UHFFFAOYSA-N	288.307	1.888	5	40	CDBB	
COCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	5511766	JTWSTJIAMXCASB-UHFFFAOYSA-N	258.661	1.624	5	40	CDBB	
Cc1nc2cc([N+](=O)[O-])cc(N(C)C)c2c(=O)n1C	6659461	VEIDGCFLGHQYAE-UHFFFAOYSA-N	262.269	1.216	5	40	CDBB	
O=C(NO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])c(O)c1	69652886	HQAXSVMJVFUNOE-NSHDSACASA-N	282.252	1.488	5	40	CDBB	
Cc1ccccc1OC[C@@H](O)Cn1nc([N+](=O)[O-])cc1C	97114092	QCZDJRAFWPOZLC-LBPRGKRZSA-N	291.307	1.848	5	40	CDBB	
CCC[C@H]1C(=O)NCCN1c1ncc(C)cc1[N+](=O)[O-]	96487428	SNMAAZQAVYMIIW-JTQLQIEISA-N	278.312	1.403	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1F	9685697	CSQPNKMXZLRSSQ-UHFFFAOYSA-N	294.213	1.918	5	40	CDBB	
CCCn1nc(I)cc1[N+](=O)[O-]	953126712	RARGUDIDTOUWDL-UHFFFAOYSA-N	281.053	1.806	5	40	CDBB	
NC(=O)COc1ccc([N+](=O)[O-])cc1Br	77955645	IMUXWLZFMQLACZ-UHFFFAOYSA-N	275.058	1.221	5	40	CDBB	
CC1(C)Oc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2O1	46098261	PWXURLKCEVTTAI-RKDXNWHRSA-N	278.264	1.798	5	40	CDBB	
Cc1ccc(CN2CCCN(C(N)=O)CC2)cc1[N+](=O)[O-]	92754077	NUGHLBVSNRDNAM-UHFFFAOYSA-N	292.339	1.490	5	40	CDBB	
CC[C@@H]1NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	72311032	QAFNPNKNWZBLDA-VIFPVBQESA-N	263.253	1.425	5	40	CDBB	
Nc1c([N+](=O)[O-])cnc(Br)c1Cl	98175248	ZOJRBTQPQLRBBE-UHFFFAOYSA-N	252.455	1.988	5	40	CDBB	
CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1O	95445027	YFWLORGSAOXBBK-CBAPKCEASA-N	270.310	1.499	5	40	CDBB	
Cc1n[nH]c(SCC(=O)NCc2ccco2)c1[N+](=O)[O-]	249614	ULOIMDZAPAVKMK-UHFFFAOYSA-N	296.308	1.628	5	40	CDBB	
C[C@@H]1C[C@@H](C)CN(C(=O)COc2cccnc2[N+](=O)[O-])C1	12486449	CGBWFWHAZKWCGC-GHMZBOCLSA-N	293.323	1.873	5	40	CDBB	
COC(=O)[C@@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-]	52121928	DJCASWOLCPTSMU-JTQLQIEISA-N	268.244	1.876	5	40	CDBB	
Cc1ccc(NC(=O)c2cccc[n+]2[O-])cc1[N+](=O)[O-]	44943877	YYCOGKKNFICBCT-UHFFFAOYSA-N	273.248	1.789	5	40	CDBB	
CC[C@H](C(=O)O)n1cc([N+](=O)[O-])c(C(F)(F)F)n1	2537839	JIHPLKCSWVVOEC-SCSAIBSYSA-N	267.163	1.846	5	40	CDBB	
O=[N+]([O-])c1ccc(N(CCO)CCO)c(Cl)c1	38955414	ZNLRMZROBWXJCG-UHFFFAOYSA-N	260.677	1.039	5	40	CDBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cn1)c1ccco1	4867920	WUTILRHHOGIXNI-UHFFFAOYSA-N	292.276	1.710	5	40	CDBB	
CC1CCN(C[C@@H](O)CNc2ccncc2[N+](=O)[O-])CC1	67373340	DJBQOJFAWXDNAF-LBPRGKRZSA-N	294.355	1.495	5	40	CDBB	
Cc1ccc(OC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F	193438677	UBXMJIXJJBNEHW-NSHDSACASA-N	295.270	1.679	5	40	CDBB	
Cc1ccsc1C(=O)OCCn1cnc([N+](=O)[O-])n1	96452616	DSYQWECBWVLYKE-UHFFFAOYSA-N	282.281	1.413	5	40	CDBB	
CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C12CCC2	96424086	KUCJPEXVTMLFRA-VHSXEESVSA-N	293.327	1.727	5	40	CDBB	
COC(=O)[C@H]1CN(C)C[C@H]1c1cccc([N+](=O)[O-])c1	252516214	QNTOCBMKRBNBKQ-RYUDHWBXSA-N	264.281	1.413	5	40	CDBB	
O=C(O)C[C@H](n1cc([N+](=O)[O-])cn1)C(F)(F)F	685936720	SWMDAJQFCOQARC-YFKPBYRVSA-N	253.136	1.369	5	40	CDBB	
NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	5939035	NIRNSQIPBBTHOA-UHFFFAOYSA-N	283.715	1.950	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)NCc1ccccc1F	4742746	HTMAGCKHWNPBCQ-UHFFFAOYSA-N	292.270	1.555	5	40	CDBB	
CCc1nc(Cn2cc([N+](=O)[O-])ccc2=O)cs1	31672488	NHSZAXNEGPGITN-UHFFFAOYSA-N	265.294	1.824	5	40	CDBB	
C[N+]1(CCOC(=O)c2ccc(O)cc2O)CCCCC1	492442	NWJQFDHXMIJTKQ-UHFFFAOYSA-O	280.344	1.885	5	40	CDBB	
O=C(O)[C@@H]1CS[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	6219603	DVGHWKMKBVJDGU-WKEGUHRASA-N	298.276	1.112	5	40	CDBB	
CC(C)c1csc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n1	47248926	JOBAVFNAJHHINP-SVRRBLITSA-N	255.299	1.870	5	40	CDBB	
CN(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])c1	3011813	VHMQVMZHJMPJAC-UHFFFAOYSA-N	274.280	1.450	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@@H](C)C1	29218983	GIFOIRRWFBNKSK-UWVGGRQHSA-N	294.307	1.995	5	40	CDBB	
CCOC(=O)c1cnn(-c2ccccc2[N+](=O)[O-])c1N	20078720	QZENFUUIIWCQAT-UHFFFAOYSA-N	276.252	1.539	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCCN2)cc1	44492422	RQTOUJMWMCZVIQ-JTQLQIEISA-N	299.352	1.015	5	40	CDBB	
Cc1nn(C)c(C(=O)N2CCc3ccccc32)c1[N+](=O)[O-]	2765920	SGJWXSLKEZLXPX-UHFFFAOYSA-N	286.291	1.840	5	40	CDBB	
COc1n[nH]c(C(=O)Nc2ncc(C)s2)c1[N+](=O)[O-]	4631391	WYAQWYPEZHNLEW-UHFFFAOYSA-N	283.269	1.344	5	40	CDBB	
C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)NC1CC1	5971272	QLBJTEWJPWJEMZ-ZETCQYMHSA-N	251.242	1.036	5	40	CDBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCNCC1	32048703	IAQRXXUHSYFAQG-UHFFFAOYSA-N	269.688	1.294	5	40	CDBB	
CC(=O)Nc1cc(NC(C)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	3844902	HRJAOAIDGSSZFC-UHFFFAOYSA-N	282.212	1.420	5	40	CDBB	
C[C@H]1C[C@H](C)CN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1	46880799	LCSXIXGVCNQSHY-QWRGUYRKSA-N	295.339	1.896	5	40	CDBB	
Nc1ccc(C(=O)Nc2ncccc2O)cc1[N+](=O)[O-]	22263265	FDBNZIVORBCTAS-UHFFFAOYSA-N	274.236	1.530	5	40	CDBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	12556403	DFIRPSFODORQDB-UHFFFAOYSA-N	285.325	1.233	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1	5249681	RCNXRPDDXXKXDT-UHFFFAOYSA-N	264.245	1.214	5	40	CDBB	
O=[N+]([O-])c1ccc(CNS(=O)(=O)C2CC2)cc1	85223710	XQVPEHCSXVREPP-UHFFFAOYSA-N	256.283	1.177	5	40	CDBB	
C[N@+]12COC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)OC2	252462710	VNSCAEYOVMUMCH-YRGRVCCFSA-N	251.262	1.427	5	40	CDBB	biogenic
CC[C@@H](C)NC(=O)COc1ccc(C(=O)O)cc1[N+](=O)[O-]	13054067	GMCXARRZWMRXKL-MRVPVSSYSA-N	296.279	1.587	5	40	CDBB	
C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C	2780886	HOGQGMTZHUEBMF-SSDOTTSWSA-N	254.290	1.493	5	40	CDBB	
Nc1c(C(=O)NCC2CC2)cc(F)cc1[N+](=O)[O-]	48247029	AXKMMWFFJBBRKH-UHFFFAOYSA-N	253.233	1.456	5	40	CDBB	
Nc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-]	4059594	LDVMATOFCYWVRI-UHFFFAOYSA-N	271.280	1.530	5	40	CDBB	
Nc1nc(Nc2ccc3c(c2)OCO3)ncc1[N+](=O)[O-]	71284561	OKWWQRIQIAQARW-UHFFFAOYSA-N	275.224	1.439	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1c[nH]cn1	91054652	KREJHBVWVBPYMB-UHFFFAOYSA-N	296.308	1.736	5	40	CDBB	
CCN(CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C	95376597	RTIAAYSQKVCRIQ-UHFFFAOYSA-N	295.339	1.546	5	40	CDBB	
Nc1ccc(C(=O)NCCc2ccco2)cc1[N+](=O)[O-]	17910043	ZMUNMNCNQCVRID-UHFFFAOYSA-N	275.264	1.743	5	40	CDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H](c2ccc3c(c2)CCO3)N1	13992152	OTVKACUPKNTJMQ-GWCFXTLKSA-N	262.265	1.218	5	40	CDBB	
NC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1	3850923	CEDJHYBRKTYLMU-UHFFFAOYSA-N	291.307	1.513	5	40	CDBB	
CCONC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1	29193284	RFXVDKHBWLCSKT-UHFFFAOYSA-N	253.258	1.342	5	40	CDBB	
Nc1c([N+](=O)[O-])cnn1Cc1ncn(-c2ccccc2)n1	95457545	SCLKSPCWXWVZIK-UHFFFAOYSA-N	285.267	1.003	5	40	CDBB	
C[C@H](C(=O)O)n1cc([N+](=O)[O-])c(OCC(F)F)n1	408715598	BYFXORACVRMNQO-SCSAIBSYSA-N	265.172	1.081	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])c(OCc2cccnc2)cc1O	216933693	HHUOXRFDRGHJKU-UHFFFAOYSA-N	290.231	1.973	5	40	CDBB	
COC(=O)COc1ccc([N+](=O)[O-])cc1NC(C)=O	6668138	ZCDZUPSTFPZTDK-UHFFFAOYSA-N	268.225	1.105	5	40	CDBB	
CON1N=C(N2CCCCC2)O[C@@H]1c1ccc([N+](=O)[O-])o1	366969	UKEGNJZDMKHNLQ-LLVKDONJSA-N	296.283	1.837	5	40	CDBB	
Cc1cccc(C(=O)NCCNC(=O)C(C)C)c1[N+](=O)[O-]	23325949	UAEOGBLMWJNGMC-UHFFFAOYSA-N	293.323	1.405	5	40	CDBB	
CCc1cc(C(=O)O)c(OC(C)=O)c([N+](=O)[O-])c1	57339600	ZTHGXWNLNIBZPX-UHFFFAOYSA-N	253.210	1.781	5	40	CDBB	
COCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	18257184	YLRWQCPJPNYTPK-CYBMUJFWSA-N	293.279	1.008	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCNc2ncccn2)cc1	7366454	JNOYDEQHTWWWQT-UHFFFAOYSA-N	259.269	1.909	5	40	CDBB	
CCNc1nnc(Sc2c([N+](=O)[O-])ncn2C)s1	9219769	ARKHICQAWIVLTD-UHFFFAOYSA-N	286.342	1.763	5	40	CDBB	
Cc1ccc(NC(=O)CSc2ncn[nH]2)cc1[N+](=O)[O-]	11340847	CMPPRFGCNUNFLT-UHFFFAOYSA-N	293.308	1.752	5	40	CDBB	
COCCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O	31662117	XBBINXSFQZUEBI-CYBMUJFWSA-N	293.279	1.008	5	40	CDBB	
Nc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc[nH]1	7737185	OPDMEGNRHWOHRD-UHFFFAOYSA-N	289.247	1.545	5	40	CDBB	
CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1Cl	3171269	SIGRRTQDPYLZGS-UHFFFAOYSA-N	258.661	1.715	5	40	CDBB	
C[C@@H](Cn1ccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1	47931844	QKCSJADWZQHGRO-JTQLQIEISA-N	274.280	1.610	5	40	CDBB	
NC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl	7984493	VMBDEXALOJUZPQ-SNVBAGLBSA-N	269.688	1.702	5	40	CDBB	
CN(Cc1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	24235728	BFJDXQINRSYOJP-UHFFFAOYSA-N	289.295	1.992	5	40	CDBB	
Cc1cnc(NCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	78628750	ZUEBKTHCNGLISC-RYUDHWBXSA-N	294.355	1.819	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCNCC1	70461618	AORARMKOMAPVOA-UHFFFAOYSA-N	279.296	1.181	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)cc1OC	45957534	NDSDOUWNDUCWDQ-UHFFFAOYSA-N	296.279	1.227	5	40	CDBB	
COc1cccc(N2CCC[C@H](OCCO)C2)c1[N+](=O)[O-]	274640467	DAZAMZDMCNOBJO-NSHDSACASA-N	296.323	1.581	5	40	CDBB	
CCNC(=O)COc1cc(N(C)C)ccc1[N+](=O)[O-]	84791003	ASSACULWFAOMTN-UHFFFAOYSA-N	267.285	1.176	5	40	CDBB	
Cc1nc(N[C@H]2CCCCNC2=O)ccc1[N+](=O)[O-]	95414843	SNMAZKIDJIRPSI-VIFPVBQESA-N	264.285	1.379	5	40	CDBB	
COc1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1	32777855	FXWZLMYABHRGGB-UHFFFAOYSA-N	261.241	1.719	5	40	CDBB	
CCCn1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	568944	HRJGFONOIXYUMR-UHFFFAOYSA-N	290.283	1.552	5	40	CDBB	
COc1cc2c(cc1OC)CC[N+](CCC[N+](C)(C)C)=C2	1768354	QWFMABQMSACAOJ-UHFFFAOYSA-N	292.423	1.788	5	40	CDBB	
O=C(O)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	3884754	DRYNZADLEOKUOZ-UHFFFAOYSA-N	295.251	1.804	5	40	CDBB	
C[C@H]1C[C@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	60756560	KBCPPFFEVMKFFM-GZMMTYOYSA-N	263.249	1.977	5	40	CDBB	
O=C(NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])n[nH]1	6447856	AAVVQHPBYABXOX-UHFFFAOYSA-N	290.323	1.872	5	40	CDBB	
CCNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	6654273	YCRICJULUQKNEF-UHFFFAOYSA-N	299.352	1.811	5	40	CDBB	
Cn1c(CO)nnc1Sc1ccccc1[N+](=O)[O-]	95971898	PLNZXKQVNQNXGC-UHFFFAOYSA-N	266.282	1.367	5	40	CDBB	
CCOC(=O)COc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	95094736	LDFSDLOLCNDJNQ-UHFFFAOYSA-N	270.197	1.445	5	40	CDBB	
Cc1nn(C)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1	12065027	ZNSVTFCPQOSMKX-UHFFFAOYSA-N	288.307	1.909	5	40	CDBB	
C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)O1	13138751	DQKRVMIQPZILCM-PHIMTYICSA-N	293.323	1.643	5	40	CDBB	
O=C(C[C@@H]1SCCNC1=O)Nc1ccccc1[N+](=O)[O-]	17023701	MJCFLKXQBFNKIF-JTQLQIEISA-N	295.320	1.155	5	40	CDBB	
C[N+]1(CC[N+]2(C)C[C@H]3CCCC[C@H]3C2)CCOCC1	17301643	GOEILDQCJFKQRD-BYICEURKSA-N	268.445	1.730	5	40	CDBB	
O=C1CCC[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@H](CN12)[C@@H]34	3881804	XVPBINOPNYFXID-LHDUFFHYSA-N	264.369	1.884	5	40	CDBB	biogenic,in-vitro
C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1C[C@@H]2CC[C@@H]1C2	101527674	GRISJYFIOPYNHE-GWOFURMSSA-N	292.339	1.883	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCCC1	4014428	SYISUWPWBJJRSC-UHFFFAOYSA-N	294.267	1.592	5	40	CDBB	
CCc1nc(CN(C)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cs1	67770823	KORPEVUPHIELHL-IUCAKERBSA-N	269.326	1.329	5	40	CDBB	
NS(=O)(=O)C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	71899627	FWWBOLPUSOZNCV-JTQLQIEISA-N	299.352	1.100	5	40	CDBB	
CCCCc1nc(Cn2c(C)ccc([N+](=O)[O-])c2=O)no1	97164962	OSASYJMTEAEUJY-UHFFFAOYSA-N	292.295	1.839	5	40	CDBB	
CCOCCC(=O)Nc1ccc([N+](=O)[O-])c(C)n1	84801213	ITKRGGGVUBDFPD-UHFFFAOYSA-N	253.258	1.663	5	40	CDBB	
O=[N+]([O-])c1ccc(-n2ccnc2)cc1N1CCNCC1	38518565	HGTYHXHOEQDHOA-UHFFFAOYSA-N	273.296	1.190	5	40	CDBB	
C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96517984	LZJMVUJMWTUZPV-SSDOTTSWSA-N	257.267	1.211	5	40	CDBB	
CS(=O)(=O)c1cnc(N)nc1-c1ccc([N+](=O)[O-])cc1	96533046	SRYBCAYZWWYLGY-UHFFFAOYSA-N	294.292	1.038	5	40	CDBB	
CCOC(=O)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1	57351660	BQEMKQXFQYDRSN-UHFFFAOYSA-N	280.280	1.608	5	40	CDBB	
Cc1occc1C(=O)OCCn1c([N+](=O)[O-])cnc1C	49005801	NVXBYNYPICSPGF-UHFFFAOYSA-N	279.252	1.858	5	40	CDBB	
Cc1nccn1C[C@H](O)COc1ccccc1[N+](=O)[O-]	5728744	SNWSYACKEMFRDC-NSHDSACASA-N	277.280	1.540	5	40	CDBB	
C[C@H](OC(=O)CCCNc1ccccc1[N+](=O)[O-])C(N)=O	7372364	WYXYTQWOCKWWNC-VIFPVBQESA-N	295.295	1.204	5	40	CDBB	
CCC[C@H](C)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	9218878	OCLASBIIPYOTJR-QMMMGPOBSA-N	268.317	1.713	5	40	CDBB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCOCC1	20894827	QKXJLCBXZZJINO-UHFFFAOYSA-N	279.296	1.133	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H](C)O[C@@H](C)C1	2777559	FGWZZRADXZHFBA-IUCAKERBSA-N	282.300	1.061	5	40	CDBB	
CCOC(=O)C(=O)CC(=O)c1ccccc1[N+](=O)[O-]	100025912	JVOTVLRLNFEFOV-UHFFFAOYSA-N	265.221	1.300	5	40	CDBB	
O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](O)C2)c1	46055623	HNSXDTBGXQJQGO-GFCCVEGCSA-N	266.297	1.430	5	40	CDBB	
CC(C)N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)C	24831392	ICACCTIRBBDFFY-UHFFFAOYSA-N	281.312	1.402	5	40	CDBB	
Cc1cccc(Cn2cc(C(=O)O)c([N+](=O)[O-])n2)c1	408716758	QPFKYTJKZWQOEB-UHFFFAOYSA-N	261.237	1.846	5	40	CDBB	
COC(=O)c1c(Cl)cc(S(C)(=O)=O)cc1[N+](=O)[O-]	44200202	HVAQHHLRLQAASR-UHFFFAOYSA-N	293.684	1.438	5	40	CDBB	
O=C(O)c1nn(-c2ccc(F)cc2)nc1[N+](=O)[O-]	89263428	LDOGEZXXAWVBHN-UHFFFAOYSA-N	252.161	1.013	5	40	CDBB	
CC(C)[C@@H](N)c1n[nH]c(-c2ccc(O)c([N+](=O)[O-])c2)n1	95534797	KZLNAZACYHUILI-SNVBAGLBSA-N	277.284	1.741	5	40	CDBB	
O=C1[C@H](n2cc([N+](=O)[O-])cn2)CCCN1CC(F)(F)F	96496784	VUIVITBTFNEWHG-MRVPVSSYSA-N	292.217	1.517	5	40	CDBB	
C[N@@+]12COC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)OC2	252462709	VNSCAEYOVMUMCH-BZPMIXESSA-N	251.262	1.427	5	40	CDBB	biogenic
Cc1ccc(OCCCNC[C@@H](C)O)c([N+](=O)[O-])c1	12699697	PVDQYNFJSHOCEN-LLVKDONJSA-N	268.313	1.643	5	40	CDBB	
C[C@H](Nc1ccc2nsnc2c1[N+](=O)[O-])C(=O)O	6669680	XXIHRXYVCWDWGJ-BYPYZUCNSA-N	268.254	1.485	5	40	CDBB	
COCC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	39755470	YZOBTZAUKGQZFA-UHFFFAOYSA-N	278.224	1.230	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(O)CC1	12929380	IITRLOWVFWKHDR-UHFFFAOYSA-N	265.269	1.583	5	40	CDBB	
C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1CO	97105169	VKPIKQNEVKIZGN-ZANVPECISA-N	293.323	1.410	5	40	CDBB	
O=C1C[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CN1	97234970	ZTZAASHEFUFHSL-YFKPBYRVSA-N	257.196	1.173	5	40	CDBB	
CSc1nn(CCOc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1	194577806	IASOXMRRXJSMSD-UHFFFAOYSA-N	296.308	1.281	5	40	CDBB	
C[C@@H]1C[C@@H]1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	253369527	DSFWIUCQHHIVOD-DFAYQTQMSA-N	289.291	1.612	5	40	CDBB	
O=C(O)[C@H]1C[C@@H](C(=O)O)c2c1cccc2[N+](=O)[O-]	256027926	KAAMSCRLKBSDIL-NKWVEPMBSA-N	251.194	1.335	5	40	CDBB	
Cc1ccc(OCC(=O)N2CCO[C@@H](C)C2)c([N+](=O)[O-])c1	12784776	LGRYADYQYKGCQR-NSHDSACASA-N	294.307	1.529	5	40	CDBB	
CCOC(=O)CC(=O)c1ccc(OC)c([N+](=O)[O-])c1	1508826	RTEYPZFDMUKVOT-UHFFFAOYSA-N	267.237	1.739	5	40	CDBB	
C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)O1	24574122	BRDUDGLBRLNKFN-NXEZZACHSA-N	293.323	1.303	5	40	CDBB	
O=C(OCC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1	3237670	GXXSBOSACPMQLK-UHFFFAOYSA-N	292.291	1.764	5	40	CDBB	
O=C(NC1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	32655657	NNCRVBINIDHSGY-UHFFFAOYSA-N	272.264	1.673	5	40	CDBB	
C[C@H]1CCC[C@H](C)N1C(=O)c1nn(C)cc1[N+](=O)[O-]	2778520	CBYVRPITMYJPTK-IUCAKERBSA-N	266.301	1.731	5	40	CDBB	
Cn1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cn1	25310233	DFUUPTIYXLYDDM-UHFFFAOYSA-N	276.252	1.346	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])c(N2CCCCC2)c([N+](=O)[O-])c1	26508729	GQKYZXYFAYGBHR-UHFFFAOYSA-N	294.267	1.592	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C)C2)n1	5217808	URPVFNJWONTIDF-HTQZYQBOSA-N	280.332	1.491	5	40	CDBB	
Cc1cc(C(=O)N[C@@H](C)c2ncon2)cc([N+](=O)[O-])c1	95994417	QNAJLFZSWYHUQV-QMMMGPOBSA-N	276.252	1.777	5	40	CDBB	
Cc1nn(C)c(NCc2nnc(C(C)C)n2C)c1[N+](=O)[O-]	95997045	XXTVZSLFCPQQKS-UHFFFAOYSA-N	293.331	1.501	5	40	CDBB	
C[C@@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	72094760	LJTWJGJYXAIDMI-HQJQHLMTSA-N	298.320	1.137	5	40	CDBB	
O=[N+]([O-])c1cc(F)c2c(c1)S(=O)(=O)N=C(Cl)N2	95097085	MGGBMEKFBGWXEH-UHFFFAOYSA-N	279.636	1.443	5	40	CDBB	
C[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)NC1CCCC1	49056002	MHEUIKMDJVUDAX-VIFPVBQESA-N	278.312	1.849	5	40	CDBB	
COCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1	6602774	UQLQARPYHKDGAI-UHFFFAOYSA-N	270.310	1.693	5	40	CDBB	
C[C@H]1CN(c2nc(Cl)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1	13777915	LBIPHLQPJSTVAF-OLQVQODUSA-N	287.707	1.234	5	40	CDBB	
COc1ccnc(Oc2ccc(C)nc2[N+](=O)[O-])n1	15113059	DBOJODWJFFXCSG-UHFFFAOYSA-N	262.225	1.889	5	40	CDBB	
C[C@@H](C(=O)n1cc(Cl)cn1)n1cc([N+](=O)[O-])cn1	4686652	HFTAOIHZBJCRPD-LURJTMIESA-N	269.648	1.543	5	40	CDBB	
CCN(Cc1ccccc1)C(=O)Cn1cnnc1[N+](=O)[O-]	40555133	DFJBXEDRNQMTKU-UHFFFAOYSA-N	289.295	1.235	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CO	40525437	RJZWAPSMBNNVOP-MRVPVSSYSA-N	253.258	1.406	5	40	CDBB	
CCn1c(CN)nnc1Sc1ncc(C)cc1[N+](=O)[O-]	79063525	WNVBAYCBHVDLFF-UHFFFAOYSA-N	294.340	1.520	5	40	CDBB	
COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(OC)n2)cc1	4140249	FOVXEBZEKIDZGA-UHFFFAOYSA-N	291.267	1.728	5	40	CDBB	
COc1c2c(cc3c1[C@H](C[C@H](C)O)[N+](C)(C)CC3)OCO2	485787	JDHJUNPYLKPCMG-JQWIXIFHSA-N	294.371	1.868	5	40	CDBB	biogenic
O=[N+]([O-])C[C@@H](O[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	100988268	JFCCUOZCLVHJGY-MRVPVSSYSA-N	257.158	1.121	5	40	CDBB	
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2ncccc21	25972279	MIAFKOUDAIHDIM-LLVKDONJSA-N	270.248	1.844	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCCOC[C@@H]2CCOC2)nc1	77229856	PTXXWKGPGRAGAX-NSHDSACASA-N	281.312	1.845	5	40	CDBB	
COCCNc1ccc([N+](=O)[O-])cc1-c1nnc(N)o1	225685551	VHMCGBXCIULOHL-UHFFFAOYSA-N	279.256	1.285	5	40	CDBB	
C[C@H]([C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96519333	JUBSMPOSEQSDNJ-XCBNKYQSSA-N	259.283	1.061	5	40	CDBB	
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@H]1C=C[C@H]2O1	247329705	OMOUCINQOUGMPO-DDHJBXDOSA-N	286.243	1.038	5	40	CDBB	
CCn1c(=O)c2c(=O)c(C=O)coc2c2ccccc21	5508804	WZRHCOHBPYIVSO-UHFFFAOYSA-N	269.256	1.940	5	40	CDBB	
Cc1n[nH]c(SCC(=O)N2CCC(C)CC2)c1[N+](=O)[O-]	13132603	OUCUQQUSZXTVHB-UHFFFAOYSA-N	298.368	1.977	5	40	CDBB	
COc1ccc(C2OCC(C)([N+](=O)[O-])CO2)cc1	1566641	KTGFJAZDMQICIX-UHFFFAOYSA-N	253.254	1.776	5	40	CDBB	
C[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)NC1CCCC1	49322152	OBJIWKKELYKMPM-SECBINFHSA-N	278.312	1.849	5	40	CDBB	
COC(=O)C1(CNc2c([N+](=O)[O-])c(C)nn2C)CCCC1	74774664	JDMQSGZXUXMQIC-UHFFFAOYSA-N	296.327	1.782	5	40	CDBB	
Nc1c(Cl)cnc(Br)c1[N+](=O)[O-]	91301657	HUWGBFKCBBOKTL-UHFFFAOYSA-N	252.455	1.988	5	40	CDBB	
O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H](CO)C3)nc2c1	91355812	MBHXVRFNKRFSLZ-VIFPVBQESA-N	276.296	1.680	5	40	CDBB	
CCS(=O)(=O)Cc1cc(C(=O)O)ccc1[N+](=O)[O-]	96532827	TYWFRXCDZMXYJU-UHFFFAOYSA-N	273.266	1.228	5	40	CDBB	
C[C@@H]1C[C@H]1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	253369528	DSFWIUCQHHIVOD-ZDSQKVDBSA-N	289.291	1.612	5	40	CDBB	
CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	101570429	IZEQIEDXVWCZTJ-UHFFFAOYSA-N	264.690	1.546	5	40	CDBB	
O=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO	1466	OQKHPZHGTCHGOQ-UHFFFAOYSA-N	251.217	1.590	5	40	CDBB	in-man
C[C@H]1C[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])C(=O)O1	46599837	UPWKDCUGEZYRNP-JOYOIKCWSA-N	264.281	1.731	5	40	CDBB	
C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-]	2806702	UZNBKLVSIFCTQU-BDAKNGLRSA-N	266.301	1.637	5	40	CDBB	
C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CC1	12491704	HZYHWFLBWWVMDA-QMMMGPOBSA-N	293.279	1.350	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)N1CCc2ccccc21	12648127	SYSFZOFSFQCNRN-UHFFFAOYSA-N	272.264	1.381	5	40	CDBB	
CC(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-]	8728403	HGZDDXXNZMKURS-UHFFFAOYSA-N	251.286	1.582	5	40	CDBB	
Cc1ccc(OCC(=O)NCc2ccco2)c([N+](=O)[O-])n1	9662942	QIELUOKPJJMZLC-UHFFFAOYSA-N	291.263	1.586	5	40	CDBB	
CC(C)(C)[C@H](NCc1csc([N+](=O)[O-])c1)C(N)=O	81607126	XQBIYCAAOBEYBH-SECBINFHSA-N	271.342	1.646	5	40	CDBB	
C[C@@H]1CCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1	151701025	AKWZVWZMJIWVIO-SNVBAGLBSA-N	281.316	1.375	5	40	CDBB	
O=C1NC(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)N1	5426660	BNTIEQLGTBEYMO-CLTKARDFSA-N	267.628	1.429	5	40	CDBB	
Cn1cnnc1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	30587432	VNXURTSRWKMVNE-UHFFFAOYSA-N	288.311	1.502	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ncc([N+](=O)[O-])s1	4805163	DYDUEZDUGQXVHR-FAYXRDSDSA-N	291.288	1.363	5	40	CDBB	
Cc1cc(C(=O)NC2=NCCS2)ccc1[N+](=O)[O-]	513812	MMGHAVWFACGVBL-UHFFFAOYSA-N	265.294	1.736	5	40	CDBB	
O=C(O)c1ccn(COc2ccc([N+](=O)[O-])cc2)n1	2535574	LCPFWRACPMSKTR-UHFFFAOYSA-N	263.209	1.526	5	40	CDBB	
C[N+](C)(C)CCOC(=O)C[C@@H]1COc2ccccc2O1	5164827	RBYSWAKYAJVLAK-GFCCVEGCSA-N	280.344	1.466	5	40	CDBB	
CO[C@@H](C)C(=O)n1nc(N)c2cc([N+](=O)[O-])ccc21	95469002	HRQSNUIRJOJTJD-LURJTMIESA-N	264.241	1.202	5	40	CDBB	
CS(=O)(=O)Cc1c([N+](=O)[O-])ccc2[nH]ccc12	96532845	XTGGLQVIRYNFBA-UHFFFAOYSA-N	254.267	1.621	5	40	CDBB	
CCS(=O)(=O)c1n[nH]cc1-c1cccc([N+](=O)[O-])c1	96525356	BVJFIEZWEXGKAR-UHFFFAOYSA-N	281.293	1.779	5	40	CDBB	
Cn1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1	373007	UIXBYCKENPNFTR-UHFFFAOYSA-N	294.698	1.912	5	40	CDBB	
O=[N+]([O-])c1cc(Br)ccc1N1CCNCC1	19517957	DYPULFIUZCLZCU-UHFFFAOYSA-N	286.129	1.767	5	40	CDBB	
CC(C)(C)NC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	32765228	RNLDZYBIKGVTCB-UHFFFAOYSA-N	293.279	1.417	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)OCO2	4784701	XLTQCKJXXKCBHJ-UHFFFAOYSA-N	290.235	1.309	5	40	CDBB	
O=[N+]([O-])c1ccc(CSc2nncc(O)n2)cc1	18096086	GXXZWRCPHLTVCX-UHFFFAOYSA-N	264.266	1.778	5	40	CDBB	
C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CCO1	32796834	XLXNKSSEGLCDPV-MRVPVSSYSA-N	290.279	1.332	5	40	CDBB	
O=C(O)CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1	3057418	FTSYROLPLVUALL-UHFFFAOYSA-N	282.252	1.686	5	40	CDBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncccc1O	12742404	LUQYAWLLACQRLX-UHFFFAOYSA-N	289.247	1.713	5	40	CDBB	
Cn1nnnc1SCCOc1ccc([N+](=O)[O-])cc1	49372313	OKXCFNXLPFLGCT-UHFFFAOYSA-N	281.297	1.289	5	40	CDBB	
COC[C@@H](C)NC(=S)Nc1ccccc1[N+](=O)[O-]	13635221	BOWSQYGLNHXJGQ-MRVPVSSYSA-N	269.326	1.916	5	40	CDBB	
C[C@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1	95975214	DBMCUEPUTZVJSS-AOOOYVTPSA-N	278.312	1.154	5	40	CDBB	
COC(=O)[C@@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2s1	408739058	SGTQYMUBDWXGLK-MRVPVSSYSA-N	297.292	1.150	5	40	CDBB	
COC(=O)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	32991444	ZPACVFLFGQJRBA-QPJJXVBHSA-N	278.264	1.287	5	40	CDBB	
NC(=O)[C@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1	97375144	JQUUSPNPBYIGSU-STQMWFEESA-N	277.324	1.729	5	40	CDBB	
COC(=O)[C@H](C)N(C)c1ccnc(Cl)c1[N+](=O)[O-]	1772715190	SUYDOSSPLWPEPQ-LURJTMIESA-N	273.676	1.641	5	40	CDBB	
CCN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	5250254	YQLFHJANZAZNHA-GFCCVEGCSA-N	284.337	1.608	5	40	CDBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2	12021806	KBSPZKYDWKKYGC-UHFFFAOYSA-N	292.291	1.574	5	40	CDBB	
COc1cc(COC(=O)[C@H]2C[C@H]2[N+](=O)[O-])ccc1C	77961178	ZCDGJVICAUHVBY-WDEREUQCSA-N	265.265	1.712	5	40	CDBB	
CN(C)CCNc1c([N+](=O)[O-])c(=O)oc2ccccc12	3896370	HRNYMYFAVNNWIQ-UHFFFAOYSA-N	277.280	1.675	5	40	CDBB	
O=[N+]([O-])c1c(NC[C@H]2CCOC2)nc2ccccn12	42107335	QGGMLZLJLOTQIH-SECBINFHSA-N	262.269	1.691	5	40	CDBB	
C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cnc([N+](=O)[O-])c1	12525577	LEIGSSFSASBBHB-MNOVXSKESA-N	280.328	1.876	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1OCCN1CCOCC1	36617315	UOPJRBMOLAMHAG-UHFFFAOYSA-N	270.260	1.445	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1NCCN1C[C@H](C)O[C@@H](C)C1	69896114	CHAPEVDOSMIRAW-RYUDHWBXSA-N	294.355	1.819	5	40	CDBB	
Cc1cccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)n1	35352330	PCCMZMIXYHXVEN-WAYWQWQTSA-N	274.236	1.258	5	40	CDBB	
COc1cc(N2CCN[C@@H](C)C2)ccc1[N+](=O)[O-]	91356017	DJKFKHDMPIGVCK-VIFPVBQESA-N	251.286	1.402	5	40	CDBB	
C[C@@](Cl)(C(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96518315	VMZHXRIVRFNZLE-JTQLQIEISA-N	291.712	1.777	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc[nH]n3)C2)nc1	96452904	CPSHAEKRBMQBLK-VIFPVBQESA-N	274.284	1.492	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1[C@@H](CC(=O)O)C(F)(F)F	685936511	CFZZJYAZNVUJPJ-YFKPBYRVSA-N	267.163	1.678	5	40	CDBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@@H]1CCOC1=O	2623248	MTOZTOGETXACCA-ZXCPCRMDSA-N	277.232	1.467	5	40	CDBB	
CN1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1	58438129	MZKSBDWTTWSEQK-SNVBAGLBSA-N	285.731	1.991	5	40	CDBB	
C[C@@H]1CN(c2nc(Cl)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1	5164912	LBIPHLQPJSTVAF-PHDIDXHHSA-N	287.707	1.234	5	40	CDBB	
O=C(NCCCN1CCCC1=O)c1ccc([N+](=O)[O-])s1	9885526	ZMTPCUFWBYGUNV-UHFFFAOYSA-N	297.336	1.399	5	40	CDBB	
Cc1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n1	5730368	POKRTZRVRAHENR-UHFFFAOYSA-N	285.267	1.577	5	40	CDBB	
O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	18068566	OMOUCINQOUGMPO-BKUVIOGVSA-N	286.243	1.038	5	40	CDBB	
C[C@H]1CCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1	151701091	AKWZVWZMJIWVIO-JTQLQIEISA-N	281.316	1.375	5	40	CDBB	
Cn1c(=O)c2ccccc2n2c(=O)c3ccccc3nc12	1775978217	PORQBVMVWQEOAY-UHFFFAOYSA-N	277.283	1.700	5	40	CDBB	
O=C1NC2(CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1	41032989	GUXPWSYIUVKHIE-UHFFFAOYSA-N	275.264	1.964	5	40	CDBB	
Cc1ccc(OCCCNC[C@H](C)O)c([N+](=O)[O-])c1	8718103	PVDQYNFJSHOCEN-NSHDSACASA-N	268.313	1.643	5	40	CDBB	
CCNC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	12861349	DNNMOVLKRWBLEB-VIFPVBQESA-N	279.296	1.158	5	40	CDBB	
CNc1ccc(C(=O)O[C@@H](C)C(C)=O)cc1[N+](=O)[O-]	9924500	ZDHZXDDEFCLVSG-QMMMGPOBSA-N	266.253	1.771	5	40	CDBB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nn1cccc1	75107546	GHXYTKKSGJUESH-UHFFFAOYSA-N	274.280	1.846	5	40	CDBB	
CS(=O)(=O)c1nccn1Cc1ccc([N+](=O)[O-])c(F)c1	188321203	IMBPZDXFMZIMPH-UHFFFAOYSA-N	299.283	1.382	5	40	CDBB	
CCS(=O)(=O)c1cc(NC(C)=O)c(O)c([N+](=O)[O-])c1	255189841	SLYXYGMLMDGSMH-UHFFFAOYSA-N	288.281	1.052	5	40	CDBB	
O=[N+]([O-])c1cccc2ccc(S(=O)(=O)O)cc12	1669716	RLCVDUBXMVTRQZ-UHFFFAOYSA-N	253.235	1.995	5	40	CDBB	
O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1N1CCOCC1	4347647	JQFPJCQHIWEUKG-UHFFFAOYSA-N	287.659	1.993	5	40	CDBB	
C[C@H]1CCCC[C@@H]1NC(=O)CCn1cnc([N+](=O)[O-])c1	12525578	LEIGSSFSASBBHB-QWRGUYRKSA-N	280.328	1.876	5	40	CDBB	
CCS(=O)(=O)C[C@@H](C)Nc1ccccc1[N+](=O)[O-]	71904608	GFWMYEICOVTVBV-SECBINFHSA-N	272.326	1.830	5	40	CDBB	
O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccnnc1	84403197	WDVUMMRIRUBMMO-UHFFFAOYSA-N	258.237	1.315	5	40	CDBB	
COc1ncccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1	47554242	ARXQPJMUVSXIBH-UHFFFAOYSA-N	288.263	1.833	5	40	CDBB	
O=C(Nc1ncccc1F)c1ccc([N+](=O)[O-])o1	97110780	DMBQYLZRZUPMMQ-UHFFFAOYSA-N	251.173	1.974	5	40	CDBB	
CS(=O)(=O)Cc1c([N+](=O)[O-])ccc2ncccc12	96532740	KPSDPSBKDDOKFA-UHFFFAOYSA-N	266.278	1.688	5	40	CDBB	
COc1cc(N2CCC(N)CC2)ccc1[N+](=O)[O-]	91356023	IQYOUFRJTVOYIR-UHFFFAOYSA-N	251.286	1.531	5	40	CDBB	
Cn1cc([C@@](C)(O)CNc2ccccc2[N+](=O)[O-])cn1	96421034	AGSMIRHOQAMUDC-ZDUSSCGKSA-N	276.296	1.648	5	40	CDBB	
COc1ccc(-c2nc([C@H](C)N)n[nH]2)cc1[N+](=O)[O-]	95534676	IDQZSPOSPDHMOW-LURJTMIESA-N	263.257	1.408	5	40	CDBB	
NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	108267607	IAXNNFNACDYCSC-UHFFFAOYSA-N	281.087	1.005	5	40	CDBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccncc1	21145428	UNWHJFBLBHNJCM-UHFFFAOYSA-N	283.243	1.786	5	40	CDBB	
CC1=CC[C@@H]2C(=O)N(CC[N+](C)(C)C)C(=O)[C@H]2C1	104388134	YXVGUNYRDCAJEU-RYUDHWBXSA-N	251.350	1.034	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CCNC(=O)NC1CCCCC1	712170	HLPPVYOHQARGBC-UHFFFAOYSA-N	295.343	1.732	5	40	CDBB	
O=c1[nH]c(/C=C/c2cccc(F)c2)nc(O)c1[N+](=O)[O-]	9234793	XRZBOMUSLBFFEE-SNAWJCMRSA-N	277.211	1.693	5	40	CDBB	
Cc1cccc(C(=O)Nc2cnn(C)c2)c1[N+](=O)[O-]	25308490	ANROYABKKYJSMO-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
O=C1NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1	12957164	HWOVMANHBOBQRW-YVMONPNESA-N	250.235	1.919	5	40	CDBB	
COC(=O)c1cnc(Br)c([N+](=O)[O-])c1	95093139	DBBBELCPCXHASZ-UHFFFAOYSA-N	261.031	1.539	5	40	CDBB	in-vitro
Cn1ncnc1/C=C1\OC(=O)c2cc(F)cc([N+](=O)[O-])c21	95837038	IHYDPJKFRHSULT-WTKPLQERSA-N	290.210	1.531	5	40	CDBB	
O=C(O)C[C@H]1CNC(=O)c2cc3cc([N+](=O)[O-])ccc3n21	32918536	KGKMFNAHCZCXNR-VIFPVBQESA-N	289.247	1.309	5	40	CDBB	
CC[C@H]([C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96519479	WHHKIQMMQAZDGY-MNOVXSKESA-N	273.310	1.451	5	40	CDBB	
CSC[C@H](CCO)Nc1ncc([N+](=O)[O-])cc1C	96419494	GHQJBKAERSNWGM-VIFPVBQESA-N	271.342	1.824	5	40	CDBB	
CC[C@H](CO)NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	1601537	VDQMNPXXXOKWJV-WSKFYRRCSA-N	264.281	1.495	5	40	CDBB	
CC(=O)N1CCN(c2cc(N)c([N+](=O)[O-])cc2Cl)CC1	45221437	CTCFLEBBRKZASJ-UHFFFAOYSA-N	298.730	1.499	5	40	CDBB	
Cn1ncc2c1ncn1nc(-c3ccc([N+](=O)[O-])cc3)nc21	2799837	GSRQJJNZIDYEHO-UHFFFAOYSA-N	295.262	1.586	5	40	CDBB	
Cc1cccc[n+]1-c1c(N)c2cc([N+](=O)[O-])ccc2[nH]c1=O	6315342	NXJHPDARXGJGDB-UHFFFAOYSA-O	297.294	1.604	5	40	CDBB	
Cc1cc(=O)n(C[C@@H]2CCCCO2)cc1[N+](=O)[O-]	95416412	ALYHXVZDDQBVLY-JTQLQIEISA-N	252.270	1.634	5	40	CDBB	
O=C(N1CCOc2cccc([N+](=O)[O-])c21)C(F)(F)F	82238071	YAGVPJWWWYNTSF-UHFFFAOYSA-N	276.170	1.883	5	40	CDBB	
C[C@@H]1CCC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1C	43269745	HRCNYRYYTNHPKZ-MXWKQRLJSA-N	280.328	1.732	5	40	CDBB	
CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C1CC1	49218011	MOJYZVRRMIZBNE-UHFFFAOYSA-N	260.253	1.706	5	40	CDBB	
NNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	4076941	JZRVABYAVAESIR-UHFFFAOYSA-N	285.203	1.174	5	40	CDBB	
Cc1nn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1[N+](=O)[O-]	8267621	ZNOWSVPIWHVODB-RKDXNWHRSA-N	296.327	1.044	5	40	CDBB	
N[C@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)O	1680890	CPTBAJDVGFBNAK-SECBINFHSA-N	256.283	1.240	5	40	CDBB	
CC(=O)[C@@H](C)n1cnc(Sc2ncccc2[N+](=O)[O-])n1	3105338	VFFTZKRJZDIYFE-SSDOTTSWSA-N	293.308	1.883	5	40	CDBB	
Cc1nc(CNC(=O)c2ccccc2[N+](=O)[O-])no1	107608748	NEBSWCUKSKQMEF-UHFFFAOYSA-N	262.225	1.216	5	40	CDBB	
CC(C)CNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	3383617	LRNHDJDJOBYQEM-UHFFFAOYSA-N	280.280	1.524	5	40	CDBB	
C[C@H](Nc1c([N+](=O)[O-])ncn1C)C(=O)NC1CCCC1	49322190	FENGNBRSKJQBDG-QMMMGPOBSA-N	281.316	1.188	5	40	CDBB	
CCc1cc(CNc2c([N+](=O)[O-])ncn2C)[nH]n1	71900462	VSWBHVHATYOOLU-UHFFFAOYSA-N	250.262	1.226	5	40	CDBB	
CCOC(=O)[C@H]1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1	98072901	ZHAPKBCTYLNTEZ-MNOVXSKESA-N	282.321	1.862	5	40	CDBB	
CCCN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C1=O	409229921	ABOFHJSMZIFVKM-DHZHZOJOSA-N	275.264	1.898	5	40	CDBB	
COC(=O)c1c(OC)c2c(c(OC)c1[N+](=O)[O-])OCO2	14987746	BMWQSPJVPPUXCN-UHFFFAOYSA-N	285.208	1.127	5	40	CDBB	
C[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(C(F)(F)F)n1	15936655	NSLLFDRUMYVGIQ-VKHMYHEASA-N	253.136	1.456	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc[nH]c1=O	32828232	AWRAQISCJNBCLP-UHFFFAOYSA-N	287.275	1.555	5	40	CDBB	
O=[N+]([O-])c1cn(Cc2cc(F)cc3c2OCOC3)cn1	26123942	RATVIGPALQRVPR-UHFFFAOYSA-N	279.227	1.845	5	40	CDBB	
O=C1NCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F	49491181	XCBFQEONDDMZAV-JTQLQIEISA-N	253.233	1.424	5	40	CDBB	
C[C@@H]1CCCN(c2nc(Cl)nc(N)c2[N+](=O)[O-])C1	5164533	CSTDQBXEMBVIOV-ZCFIWIBFSA-N	271.708	1.857	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2nc3ncnc(O)c3[nH]2)c1	17025393	NLOCZXIDLQDXSQ-UHFFFAOYSA-N	257.209	1.634	5	40	CDBB	
Cc1nn(C[C@H](C)C(=O)O)c(C(F)F)c1[N+](=O)[O-]	408716348	LVFXPMFDXJXHGD-BYPYZUCNSA-N	263.200	1.758	5	40	CDBB	
COC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1	78343213	ZBZJAIPDWMIDEB-GFCCVEGCSA-N	252.270	1.446	5	40	CDBB	
O=c1ccn(CCCN2CCCCC2)cc1[N+](=O)[O-]	195570146	DPRLNOMPMYOSQL-UHFFFAOYSA-N	265.313	1.633	5	40	CDBB	
C[N@+]12CCCC[C@H]1[C@H](CON1C(=O)CCC1=O)CCC2	254498728	QQJOVQVFUJPRNJ-GDZNZVCISA-N	281.376	1.476	5	40	CDBB	
COC(=O)c1sccc1Cn1cnc([N+](=O)[O-])c1	88498962	SOJRYIYJKYKVBZ-UHFFFAOYSA-N	267.266	1.688	5	40	CDBB	
CN(C)CCNC(=O)CSCc1ccc([N+](=O)[O-])cc1	13632535	MXHXBVWDXZYREF-UHFFFAOYSA-N	297.380	1.506	5	40	CDBB	
CC(C)C[C@@H](NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1	2651362	HDRJCADHOLXIEX-LLVKDONJSA-N	294.311	1.616	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCCC1	10327850	SCPWHLIDLSDUBM-UHFFFAOYSA-N	291.307	1.901	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCCO1	304868	YJPMLMHCHGEDEG-VIFPVBQESA-N	286.309	1.052	5	40	CDBB	
CCc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)cc1	263872	SAZKDSYIDKKIHD-UHFFFAOYSA-N	295.320	1.899	5	40	CDBB	
O=C(CSc1ncn[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1	3277955	ZWPVUHLDPXRGHW-UHFFFAOYSA-N	297.271	1.583	5	40	CDBB	
CC(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1	8054606	OMRPUJNWZLNPEJ-UHFFFAOYSA-N	264.281	1.759	5	40	CDBB	
CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	3156562	GXGCEJJMLXOQAC-UHFFFAOYSA-N	283.240	1.737	5	40	CDBB	
NC(=O)c1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1	25332996	IMFFYNIUOSJIHV-UHFFFAOYSA-N	299.286	1.624	5	40	CDBB	
CCC(CC)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(N)=O	58160346	WTJFCFQRWPDYCA-UHFFFAOYSA-N	293.323	1.298	5	40	CDBB	
NC(=O)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])o1	153894177	XGXUFXLYLHWQRX-UHFFFAOYSA-N	296.670	1.947	5	40	CDBB	
CCOC(=O)c1nc(O)c2cc([N+](=O)[O-])ccc2n1	6016451	ZAJTVVHEPICRJN-UHFFFAOYSA-N	263.209	1.420	5	40	CDBB	
Cc1ccccc1OC[C@H](O)Cn1nc([N+](=O)[O-])cc1C	97114091	QCZDJRAFWPOZLC-GFCCVEGCSA-N	291.307	1.848	5	40	CDBB	
O=C(Nc1ncccc1O)c1cccc([N+](=O)[O-])c1	22263207	NWDNEEATZPWRRM-UHFFFAOYSA-N	259.221	1.948	5	40	CDBB	
CC(C)c1nncn1CCNc1ncccc1[N+](=O)[O-]	72307660	RMQRLJBBZUIWFF-UHFFFAOYSA-N	276.300	1.817	5	40	CDBB	
O=C(NCc1nnc2ccccn12)c1cccc([N+](=O)[O-])c1	7898564	VNBQOGMWAUNRQT-UHFFFAOYSA-N	297.274	1.568	5	40	CDBB	
C[C@H](C(=O)NCCc1cccs1)n1cc([N+](=O)[O-])cn1	97048028	KJSNELGAOVSYFJ-SECBINFHSA-N	294.336	1.773	5	40	CDBB	
C[C@H]1CCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O	97082477	HETLVBDSDZKZSA-WPRPVWTQSA-N	299.352	1.843	5	40	CDBB	
C[C@H](O)C[C@H](C)CNC(=O)Cc1ccccc1[N+](=O)[O-]	72293632	LEZAMRKIGMRJBA-QWRGUYRKSA-N	280.324	1.661	5	40	CDBB	
O=C(CCn1nccc1[N+](=O)[O-])NCc1ccc(F)cc1	89684836	XGGQHUSMADDNSE-UHFFFAOYSA-N	292.270	1.637	5	40	CDBB	
CCS(=O)(=O)Cc1c([N+](=O)[O-])ccc2[nH]cnc12	96532839	NTALMHQKVVWKOL-UHFFFAOYSA-N	269.282	1.406	5	40	CDBB	
CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	127890	NRAVTQRADONGPG-UHFFFAOYSA-N	263.297	1.373	5	40	CDBB	
C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1nccs1	2791457	DCFNVKGBQJRKFF-SSDOTTSWSA-N	281.297	1.523	5	40	CDBB	
O=C(OC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	107065033	GOWHNEUOYWCWBS-MRVWCRGKSA-N	290.319	1.721	5	40	CDBB	
O=C1NCCC[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1	65501814	OXPWUOVECZVPQJ-SECBINFHSA-N	292.320	1.895	5	40	CDBB	
COC(=O)c1nc(Cl)nc(Cl)c1[N+](=O)[O-]	39043143	QOZVZJLPNJOHFA-UHFFFAOYSA-N	252.013	1.478	5	40	CDBB	
O=C1NCC[C@H]1Sc1ccc([N+](=O)[O-])cc1F	193513067	YWJYLKPVBNBPOD-SECBINFHSA-N	256.258	1.715	5	40	CDBB	
COC(=O)c1ccc(Oc2nn(C)cc2[N+](=O)[O-])cc1	95098620	JOZYFAOXSWYUBD-UHFFFAOYSA-N	277.236	1.907	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1F	675031848	PXEQXGNFGZVKRK-UHFFFAOYSA-N	279.227	1.765	5	40	CDBB	
CCOc1cccc(NCc2ncn(C)n2)c1[N+](=O)[O-]	96503076	DLCVJWXWOGNKDQ-UHFFFAOYSA-N	277.284	1.734	5	40	CDBB	
O=[N+]([O-])c1cc(F)c(N2CCC[C@H](O)C2)c(F)c1	228000876	XQKQMLCKAAHSKL-QMMMGPOBSA-N	258.224	1.834	5	40	CDBB	
CC1=NN(c2ccccc2)C(=O)[C@]12[C@@H]([N+](=O)[O-])[C@@H]2C	5377095	SIWDEOAYYTUWNB-QWRKXWFKSA-N	259.265	1.691	5	40	CDBB	
Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(Cl)c1	8295757	CWPGCAPYJZOTOU-UHFFFAOYSA-N	295.686	1.787	5	40	CDBB	
Cc1cccnc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	181813	WLNCPPNQUCBZBQ-UHFFFAOYSA-N	289.295	1.750	5	40	CDBB	
O=C(Nc1ccccc1[N+](=O)[O-])NC1CCNCC1	67800595	XGARZIIJIWFUEF-UHFFFAOYSA-N	264.285	1.468	5	40	CDBB	
Nc1nc(NCCc2ccc(F)cc2)ncc1[N+](=O)[O-]	48544339	NEEFSCHEMHDMBV-UHFFFAOYSA-N	277.259	1.761	5	40	CDBB	
CCn1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1	557830	GFNRDLJRWBWVFE-VOTSOKGWSA-N	288.267	1.253	5	40	CDBB	
CC[N+](C)(CC)CCN1C(=O)c2ccccc2C1=O	5469299	LKUVKOMCNCAUTE-UHFFFAOYSA-N	261.345	1.769	5	40	CDBB	
C[C@@H](c1nc(-c2ccncc2)no1)n1cc([N+](=O)[O-])cn1	4754152	XRHRBKYFXQWVQJ-QMMMGPOBSA-N	286.251	1.846	5	40	CDBB	
Cc1cc(NC[C@@H](O)CO)c(Cl)cc1[N+](=O)[O-]	133439989	TULXTXSHBUTSGA-SSDOTTSWSA-N	260.677	1.322	5	40	CDBB	
Cc1c(C(=O)N2CCOCC2)cccc1[N+](=O)[O-]	493483	NYNRRBUOLNYJSV-UHFFFAOYSA-N	250.254	1.376	5	40	CDBB	
CNC(=O)C1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1	49469479	AEEXDBWIHJYFPC-UHFFFAOYSA-N	278.312	1.707	5	40	CDBB	
Cc1nccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)n1	65124227	MWDAMYJXCXGUJS-UHFFFAOYSA-N	286.291	1.666	5	40	CDBB	
CCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	15173941	HFYYOGVVSCULRL-UHFFFAOYSA-N	280.284	1.645	5	40	CDBB	
CC(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	7155450	XEUJYXAQDQWPRY-UHFFFAOYSA-N	256.189	1.236	5	40	CDBB	
CCCN(CC(C)(C)O)c1ncc([N+](=O)[O-])cc1C(N)=O	84755146	MXQMMIJFPKEKPW-UHFFFAOYSA-N	296.327	1.076	5	40	CDBB	
Cc1cc(=O)n(C[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-]	89568487	WJLKPGFYLDIXCR-ZDUSSCGKSA-N	292.266	1.938	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1N1C[C@@H](C(=O)O)CC1=O	34956980	WIOKQEDSKFQPEE-ZETCQYMHSA-N	280.236	1.041	5	40	CDBB	
CC(C)(C)[S@](=O)CCNC(=O)c1ccccc1[N+](=O)[O-]	79001861	KEBXFEHVNULNOY-FQEVSTJZSA-N	298.364	1.872	5	40	CDBB	
C[N+]1(CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)CCCCC1	4184648	KACLEKGODJDZPY-KPWCQOOUSA-N	275.372	1.382	5	40	CDBB	
CN(C)C1(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CCCCCC1	47297922	NIQUDOVSXCLPFR-NWDGAFQWSA-N	283.372	1.422	5	40	CDBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1=NCCS1	3262681	MCUVCKAHBABDSB-AATRIKPKSA-N	277.305	1.827	5	40	CDBB	
CO[C@@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-]	48287281	TYVRYWLTEDQCMW-VIFPVBQESA-N	267.285	1.158	5	40	CDBB	
O=[N+]([O-])c1cnc(N2CCCCC2)nc1NC1CC1	71798362	HSBCWYOBUJABTA-UHFFFAOYSA-N	263.301	1.949	5	40	CDBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(=O)[nH]c1	72288690	BXKWWQKRVJSPAR-GQCTYLIASA-N	299.286	1.613	5	40	CDBB	
CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1=CCCC1	96413679	NURQVDRFOOHSCA-UHFFFAOYSA-N	250.258	1.318	5	40	CDBB	
CCOC(=O)C[C@H](n1cc([N+](=O)[O-])cn1)C(F)(F)F	685936579	HYSJLJMAQIIUJI-ZETCQYMHSA-N	281.190	1.848	5	40	CDBB	
CC(C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	9377332	BFVNDWVHOOCBHM-UHFFFAOYSA-N	292.339	1.835	5	40	CDBB	
COc1ccc(OC)c(CNc2c([N+](=O)[O-])ncn2C)c1	24212218	MALBVPZOTVNIRB-UHFFFAOYSA-N	292.295	1.958	5	40	CDBB	
O=C1CSC(=O)N1Cc1ccccc1[N+](=O)[O-]	1416726	IRAUJDUFKXGYGC-UHFFFAOYSA-N	252.251	1.790	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C=CS(=O)(=O)C1	12734192	CBJCSNMTRHFOCI-MRVPVSSYSA-N	272.257	1.457	5	40	CDBB	
O=C(COc1ccccc1[N+](=O)[O-])N1CCCCC1	6222484	BINKZAWBVWTFCO-UHFFFAOYSA-N	264.281	1.986	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC=CCC2)cc1	335982	KXEZTIJADUKFGE-UHFFFAOYSA-N	282.321	1.936	5	40	CDBB	
Cn1c(SCC(=O)O)nnc1-c1ccc([N+](=O)[O-])cc1	4966558	BLHGPOZPVJMKLJ-UHFFFAOYSA-N	294.292	1.567	5	40	CDBB	
Nc1nc(Cl)nc(NCc2ccco2)c1[N+](=O)[O-]	3893263	OURRLEMXAVABEO-UHFFFAOYSA-N	269.648	1.826	5	40	CDBB	
Cc1cc(O[C@H](C)C(=O)N2CCNC2=O)ccc1[N+](=O)[O-]	8257037	JRSWMGRZHVSGST-SECBINFHSA-N	293.279	1.222	5	40	CDBB	
CCOC(=O)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21	40631064	RBZUZDOENCGSQI-UHFFFAOYSA-N	278.264	1.437	5	40	CDBB	
O=C(NC1CC1)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F	32923443	HTNYNZUQADTXOB-ZDUSSCGKSA-N	293.298	1.981	5	40	CDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)O)c2)C[C@@H](C)O1	15443601	VWTUGTCIUKZKLA-RKDXNWHRSA-N	280.280	1.907	5	40	CDBB	
CC1(C)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O	69593257	OXSJRRMHQKHSBY-UHFFFAOYSA-N	269.282	1.487	5	40	CDBB	
CS(=O)(=O)CCn1cc(-c2ccccc2[N+](=O)[O-])cn1	97085576	KXAPBLBNUMIBJH-UHFFFAOYSA-N	295.320	1.503	5	40	CDBB	
CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n(C)n1	97097461	YRNPQBUUFMDRGS-UHFFFAOYSA-N	290.279	1.849	5	40	CDBB	
Cc1cnn(CCCNC(=O)c2cccc([N+](=O)[O-])c2)c1	58165861	OAUVGNRTPCTPPL-UHFFFAOYSA-N	288.307	1.920	5	40	CDBB	
Cc1nn(CC(=O)NCC[C@H]2CCCO2)c(C)c1[N+](=O)[O-]	58392138	FGNFOILOGSKORN-LLVKDONJSA-N	296.327	1.093	5	40	CDBB	
C[C@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	6119973	MOASAVCGJHHBHS-CMPLNLGQSA-N	293.323	1.451	5	40	CDBB	
CCC[C@@H]1C[C@@H]1Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O	96501099	OVAZUXVABJGVNK-SCZZXKLOSA-N	299.352	1.843	5	40	CDBB	
COC(=O)COc1ccc([N+](=O)[O-])c2cccnc12	37657799	ULKIWJNRMUNWHD-UHFFFAOYSA-N	262.221	1.695	5	40	CDBB	
Cc1ccc(Sc2nnc(C)n2N)c([N+](=O)[O-])c1	70462246	NISZEIOAUWPXFW-UHFFFAOYSA-N	265.298	1.668	5	40	CDBB	
CC(C)N(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1	37994845	OTVUQBCGWDUVTH-UHFFFAOYSA-N	252.270	1.890	5	40	CDBB	
CC(C)NC(=O)COc1ccc(C(=O)O)cc1[N+](=O)[O-]	13054061	WGLRXBIZXOHKBI-UHFFFAOYSA-N	282.252	1.196	5	40	CDBB	
C[C@@H](Sc1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)O	6267188	XDXVFWINUHFMQW-RXMQYKEDSA-N	271.250	1.858	5	40	CDBB	
Cc1c[nH]/c(=N/C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[nH]1	97162539	IGVICAOZQPHBSG-UHFFFAOYSA-N	280.671	1.954	5	40	CDBB	
O=C(COc1ccc([N+](=O)[O-])cc1F)N1CCC1	59012126	JTMWWEUHGUCJFF-UHFFFAOYSA-N	254.217	1.345	5	40	CDBB	
CC(C)Oc1nn(C(C)(C)C(=O)O)cc1[N+](=O)[O-]	408717038	VCMJWSQLAVYZEN-UHFFFAOYSA-N	257.246	1.398	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1N1CCCN(CCO)CC1	69562945	RBTVSZNLIIZJLB-UHFFFAOYSA-N	283.303	1.238	5	40	CDBB	
Cc1ccc(C(=O)NCCc2cnn(C)c2)cc1[N+](=O)[O-]	42729621	GDPYDGJIIKJKQU-UHFFFAOYSA-N	288.307	1.609	5	40	CDBB	
CC[C@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96519467	HBWFQQDYJVAFFX-MNOVXSKESA-N	273.310	1.451	5	40	CDBB	
COc1cccc(NC(=O)CCn2nccc2[N+](=O)[O-])c1	96480737	SWCPYWCLXWIDNJ-UHFFFAOYSA-N	290.279	1.829	5	40	CDBB	
COc1cc(CC[N+](C)(C)C)cc(OC)c1OC	1675110	OTQYBYBBOHKXGD-UHFFFAOYSA-N	254.350	1.961	5	40	CDBB	
CCCOC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	48867912	UGDUYVYGZPEDHC-UHFFFAOYSA-N	276.252	1.742	5	40	CDBB	
O=C(O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	409148178	OWNDQHKGUGEGNN-ZZXKWVIFSA-N	298.232	1.309	5	40	CDBB	
O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2cc(Cl)cn2)c1	95438814	IGOLYGCRBCUPQQ-NSHDSACASA-N	297.698	1.885	5	40	CDBB	
C[C@@H]1CCC[C@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	195562717	JAPFIRDWBMDHAF-RKDXNWHRSA-N	299.352	1.843	5	40	CDBB	
Cn1cc(C(=O)NC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	52933123	VKYCKGBZAYGGOO-UHFFFAOYSA-N	286.291	1.888	5	40	CDBB	
O=[N+]([O-])c1ccccc1OCCNC[C@H]1CCCO1	3247118	FDTQNSRSJOEOLG-LLVKDONJSA-N	266.297	1.742	5	40	CDBB	
Cc1c(SCC(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4343591	JBWGOXOYDSMVJV-UHFFFAOYSA-N	272.238	1.988	5	40	CDBB	
CCN(CC)C(=O)C[S@@](=O)c1ccccc1[N+](=O)[O-]	5708352	NSRCAPPAPQKWSM-IBGZPJMESA-N	284.337	1.571	5	40	CDBB	
C[C@@H](OC(=O)CCCNc1ccccc1[N+](=O)[O-])C(N)=O	7372365	WYXYTQWOCKWWNC-SECBINFHSA-N	295.295	1.204	5	40	CDBB	
Cn1nc([N+](=O)[O-])cc1CN1C(=O)c2ccccc2C1=O	72334192	PPLZUHQHGWBFOF-UHFFFAOYSA-N	286.247	1.125	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(N2CCCC2)cc1OC	45957608	ITAGMZAFDHNTLX-UHFFFAOYSA-N	280.280	1.990	5	40	CDBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1F	604221770	OYZBROOVPCRWIC-UHFFFAOYSA-N	255.173	1.730	5	40	CDBB	
O=C1CCC[C@H]2[C@@H]3CCC[N@@+]4([O-])CCC[C@H](CN12)[C@H]34	247443841	XVPBINOPNYFXID-KTHACSRUSA-N	264.369	1.884	5	40	CDBB	
NC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1	77309272	OVNOHCLWZGXPOZ-MRVPVSSYSA-N	295.270	1.071	5	40	CDBB	
CCc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=N)s1	4477895	IIVNQBLHJZQGQY-UHFFFAOYSA-N	264.310	1.943	5	40	CDBB	
CNc1ccc([C@H]2NC(=O)[C@H]3CCCCN23)cc1[N+](=O)[O-]	71967742	QSVUUGWSUIXPLX-YPMHNXCESA-N	290.323	1.619	5	40	CDBB	
Cc1ncsc1CNC(=O)c1ccc([N+](=O)[O-])cc1O	97109059	WIKGAFZNOKLWMH-UHFFFAOYSA-N	293.304	1.995	5	40	CDBB	
CN1CCN(c2cc(N)c([N+](=O)[O-])cc2Cl)CC1	45221344	MSXCQWQDJDZJPK-UHFFFAOYSA-N	270.720	1.582	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCO1	19845278	LETNQUDZJOPTME-SECBINFHSA-N	266.253	1.884	5	40	CDBB	
O=[N+]([O-])c1nn(-c2cccc(F)c2)c2ncnc(O)c12	3852457	XZXSULIOWIIZDK-UHFFFAOYSA-N	275.199	1.568	5	40	CDBB	
C[C@@]12CN(CC[N+](C)(C)C)C[C@]1(C)[C@@H]1CC[C@@H]2O1	100133323	XJMRUUTZITWJJO-ZQDZILKHSA-N	253.410	1.582	5	40	CDBB	in-vitro
O=[N+]([O-])c1cccnc1NNS(=O)(=O)c1ccccc1	20031419	YNTRLEMYDAHCCT-UHFFFAOYSA-N	294.292	1.295	5	40	CDBB	
CC[C@H](CO)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	75958949	UMCNOAITOMMHMR-CQSZACIVSA-N	293.367	1.483	5	40	CDBB	
COc1ccc(C(=O)NCC[C@@H]2CCCO2)cc1[N+](=O)[O-]	40511981	KANKOSKVSLUCNQ-NSHDSACASA-N	294.307	1.902	5	40	CDBB	
Cc1c(Cn2ccnc2S(C)(=O)=O)cccc1[N+](=O)[O-]	81272493	GYQSILZNBULCAV-UHFFFAOYSA-N	295.320	1.552	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(N3CCC[C@H](CO)C3)cnc2c1	91355823	FZUCTZQAMRKZGV-JTQLQIEISA-N	288.307	1.747	5	40	CDBB	
CCOC(=O)CN(C)c1ccc(F)cc1[N+](=O)[O-]	50086995	XUWADNJYINCWAS-UHFFFAOYSA-N	256.233	1.733	5	40	CDBB	
CCNC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	12861341	DNNMOVLKRWBLEB-SECBINFHSA-N	279.296	1.158	5	40	CDBB	
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CCOC1	71799847	DOVKVHUOVYRZPT-UWVGGRQHSA-N	276.292	1.909	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH]ccc2=O)c1	69815569	LFKBTXQDISIUPP-UHFFFAOYSA-N	289.247	1.544	5	40	CDBB	
CC[N+](C)(CC)CCNC(=O)C1=CN(C)/C(=C/N=O)C=C1	38178448	BUQYCSRBEIQKDK-SDNWHVSQSA-O	293.391	1.582	5	40	CDBB	
COC(=O)[C@@H](N[C@@H](C)c1ccccc1)C(C)(C)[N+](=O)[O-]	97758796	CKKDYRPKMREELC-CMPLNLGQSA-N	280.324	1.934	5	40	CDBB	
CC(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)N1CCOCC1	12630055	AXFBENAJYNCFTG-LLVKDONJSA-N	297.359	1.097	5	40	CDBB	
CC([C@H](C[N+](=O)[O-])c1ccccc1)([N+](=O)[O-])[N+](=O)[O-]	100173865	AXKKBRTYHMDETD-SECBINFHSA-N	269.213	1.317	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1	4182252	QAWKMLWGDOMDTO-LLVKDONJSA-N	292.295	1.787	5	40	CDBB	
CCNC(=O)CNc1ccc(C(C)=O)cc1[N+](=O)[O-]	95360837	ZXIKBVAZFFFDDV-UHFFFAOYSA-N	265.269	1.345	5	40	CDBB	
COCCCCn1nnc(-c2cccc([N+](=O)[O-])c2)n1	88500827	ZMYIXFJARBJUGY-UHFFFAOYSA-N	277.284	1.675	5	40	CDBB	
CCN(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5708363	SSDDBKSPZJBYDY-UHFFFAOYSA-N	281.268	1.914	5	40	CDBB	
CCOC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)C1	16687965	JTODFDFLCXJCEH-UHFFFAOYSA-N	294.223	1.590	5	40	CDBB	
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])o1	24723423	BBRMQLGMHYDACG-MRVPVSSYSA-N	284.268	1.505	5	40	CDBB	
Cc1ccc(NC(=O)N[C@@H](C)CO)cc1[N+](=O)[O-]	40525425	AUCCGOSTEXKLQM-QMMMGPOBSA-N	253.258	1.406	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCCOC2CCOCC2)cn1	78338910	GXVVKDPIRUIZBD-UHFFFAOYSA-N	281.312	1.987	5	40	CDBB	
CC(C)c1nc(Cn2cnc([N+](=O)[O-])n2)cs1	48603278	ZTJUEUNRWRZZGS-UHFFFAOYSA-N	253.287	1.815	5	40	CDBB	
CCOC(=O)c1nc(-c2ccc(OC)c([N+](=O)[O-])c2)n[nH]1	85385991	JTXLRUCMMMUGLS-UHFFFAOYSA-N	292.251	1.565	5	40	CDBB	
CN(C)C(=O)c1c([N+](=O)[O-])c(C(C)(C)C)nn1C	504262	GUGUBOHHPFKODY-UHFFFAOYSA-N	254.290	1.328	5	40	CDBB	
Nc1ccc(C(=O)NCc2ccncc2)cc1[N+](=O)[O-]	25043780	PFBDEIHTOJDMJU-UHFFFAOYSA-N	272.264	1.502	5	40	CDBB	
CN(CCc1ccncc1)c1c([N+](=O)[O-])ncn1C	58010296	FKBBNQXOZYXEPD-UHFFFAOYSA-N	261.285	1.402	5	40	CDBB	
COc1cc(N[C@@H]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-]	95429697	QJZFFNAJAUMUMW-VHSXEESVSA-N	279.296	1.669	5	40	CDBB	
COC(=O)CCCNC(=O)c1ccc([N+](=O)[O-])cc1	16237972	ZRHSFMUOBKEUHM-UHFFFAOYSA-N	266.253	1.278	5	40	CDBB	
CN(Cc1nc2ccccc2[nH]1)c1c([N+](=O)[O-])ncn1C	32824983	RJNNSXPMACDUJL-UHFFFAOYSA-N	286.295	1.841	5	40	CDBB	
COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccccc1	3099400	IBGOYXMLFPKRDY-SNVBAGLBSA-N	281.264	1.009	5	40	CDBB	
C[C@@H]1CN(c2c(C(=O)O)cccc2[N+](=O)[O-])CCN1	6733650	KYYUCJDXASXGPX-MRVPVSSYSA-N	265.269	1.091	5	40	CDBB	
O=[N+]([O-])c1cc(-c2ccn[nH]2)ccc1N1CCOCC1	8855335	WHHZJNMYEYGRHF-UHFFFAOYSA-N	274.280	1.822	5	40	CDBB	
COC[C@@H](C)NCc1cc(OC)c(OC)cc1[N+](=O)[O-]	4133264	FPWSHRLBWOGOAC-SECBINFHSA-N	284.312	1.737	5	40	CDBB	
CN1CCc2cc3c(cc2[C@@H]1C[N+](=O)[O-])OCO3	226745864	CXRSSOOGOWCPLJ-JTQLQIEISA-N	250.254	1.221	5	40	CDBB	
Cc1sc(C(=O)N(CC(N)=O)C(C)C)cc1[N+](=O)[O-]	79143089	FUIGZTBKKGDKRV-UHFFFAOYSA-N	285.325	1.301	5	40	CDBB	
CCCNC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	6540485	KPXZROFYUCFDJY-VIFPVBQESA-N	279.296	1.239	5	40	CDBB	
Nc1c(C(=O)N2CCC[C@H](C(=O)O)C2)cccc1[N+](=O)[O-]	95424176	QMLLDOTZHMTYMD-QMMMGPOBSA-N	293.279	1.114	5	40	CDBB	
CNC(=O)CCN1CCc2ccc([N+](=O)[O-])cc2C1	88607994	BOQRWZPFICRCFC-UHFFFAOYSA-N	263.297	1.089	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)c1ccc([N+](=O)[O-])cc1	408603356	FZRHPRAALLAAEP-UHFFFAOYSA-N	290.235	1.891	5	40	CDBB	
CC[C@H]1C(=O)NCCN1Cc1csc([N+](=O)[O-])c1	96414898	WHFGJBILWWXWRN-VIFPVBQESA-N	269.326	1.367	5	40	CDBB	
Cc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-]	49096725	VAPUDDROGYIMQX-LBPRGKRZSA-N	277.324	1.727	5	40	CDBB	
O=C(O)/C=C\C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	31800777	FBZOUXLEZLYVKG-ARJAWSKDSA-N	270.628	1.828	5	40	CDBB	
COc1nc(N2CCC(C)CC2)nc(N)c1[N+](=O)[O-]	4140239	WMJVKDYOWCVIDK-UHFFFAOYSA-N	267.289	1.212	5	40	CDBB	
NS(=O)(=O)c1cccc(N[C@H]2C=CCCC2)c1[N+](=O)[O-]	97376192	LXKPISQPAOTCQU-VIFPVBQESA-N	297.336	1.763	5	40	CDBB	
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O	18227586	LGUKSUMQFBALJX-UWVGGRQHSA-N	288.259	1.756	5	40	CDBB	
COCCSc1nc2ccccn2c1[N+](=O)[O-]	89420248	RHVSQXHOBMZZND-UHFFFAOYSA-N	253.283	1.981	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NS(C)(=O)=O	6922034	MMAGJMUDTKJFIR-UHFFFAOYSA-N	264.690	1.928	5	40	CDBB	
CN1CCC(O)(CNc2ccc(F)cc2[N+](=O)[O-])CC1	77230903	FFHPUBYACMCNSC-UHFFFAOYSA-N	283.303	1.603	5	40	CDBB	
CCNc1cc(N2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-]	4703666	HEWROXZFPQKYGF-UHFFFAOYSA-N	292.339	1.695	5	40	CDBB	
CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1C[C@H]1[N+](=O)[O-]	46901279	GDWCZBNXRFVQCF-WDEREUQCSA-N	292.291	1.429	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C2OCCO2)C1	71904179	BWKGHJOSDDAQMD-LLVKDONJSA-N	293.323	1.888	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C)C2)n1	5217796	URPVFNJWONTIDF-YUMQZZPRSA-N	280.332	1.491	5	40	CDBB	
O=[N+]([O-])c1cn[nH]c1N1CCN(c2ccccc2)CC1	6402909	GOWADRRPIBWCAE-UHFFFAOYSA-N	273.296	1.645	5	40	CDBB	
CC(C)CCNC(=O)COc1cccnc1[N+](=O)[O-]	5971043	SZSWHSRQEKMRBZ-UHFFFAOYSA-N	267.285	1.531	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1Cc1nnc2n1CCCCC2	72334130	CTUDJFRSSBLGGP-UHFFFAOYSA-N	276.300	1.466	5	40	CDBB	
O=C1Nc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]12	96113682	HHKBSIGLNSVUGZ-JTQLQIEISA-N	261.237	1.152	5	40	CDBB	biogenic
C[N@+]12CCCC[C@H]1[C@@H](N1C(=O)CCC1=O)CCC2	247651143	MYYOGQZKFKTQSS-MQIPJXDCSA-N	251.350	1.297	5	40	CDBB	biogenic,in-vitro
Cc1cc([N+](=O)[O-])nn1CC(=O)N(C)C1CCCCC1	204655	TWPNYGOABWLXCC-UHFFFAOYSA-N	280.328	1.891	5	40	CDBB	
CCc1cnc(CCNc2ncc([N+](=O)[O-])c(N)n2)s1	76063818	RUGWKRGREVBAEN-UHFFFAOYSA-N	294.340	1.641	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H](CO)C2)c2nonc12	12799248	XYTVOLDNADLSDY-MRVPVSSYSA-N	278.268	1.340	5	40	CDBB	
O=[N+]([O-])c1ncn(Cc2csc(-c3ccco3)n2)n1	48603232	XVWDZMLDQWAWMB-UHFFFAOYSA-N	277.265	1.951	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C)c1	95462115	MMUCEDXIVXMHEE-UHFFFAOYSA-N	278.717	1.807	5	40	CDBB	
O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccncc1	409315625	NXEGYIKSYRJBRH-UPHRSURJSA-N	260.209	1.361	5	40	CDBB	
CCOc1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-]	6412431	HWYUAHSPCRWGJW-UHFFFAOYSA-N	276.252	1.969	5	40	CDBB	
Cc1nn(CC(=O)N2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-]	4548994	OHMSAQMNVBWHAZ-SECBINFHSA-N	280.328	1.667	5	40	CDBB	
NC1=N[C@H](c2ccc([N+](=O)[O-])o2)n2c(nc3ccccc32)N1	4864696	MJBDJYFOGFLXAU-NSHDSACASA-N	298.262	1.825	5	40	CDBB	
Cc1nn(CC(=O)c2cccn2C)c(C)c1[N+](=O)[O-]	9882269	CKSAICJDPODMHO-UHFFFAOYSA-N	262.269	1.630	5	40	CDBB	
Cc1nc(NCCC[S@@](C)=O)ccc1[N+](=O)[O-]	95414923	AFQDWCAGXUYMTO-KRWDZBQOSA-N	257.315	1.479	5	40	CDBB	
Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1C	9122139	ZYEHNZWOJFLEHL-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
COc1cc([N+](=O)[O-])c(C(=O)O)c(C(=O)O)c1OC	1712639	NMESVQZUOUEFEB-UHFFFAOYSA-N	271.181	1.008	5	40	CDBB	
CC(C)NCCOC(=O)c1ccc([N+](=O)[O-])cc1	1716459	MFBDVINKPXUESO-UHFFFAOYSA-N	252.270	1.750	5	40	CDBB	
O=C(NCCCCO)c1cc([N+](=O)[O-])ccc1Cl	2049107	AKOFMGVQQVPYSR-UHFFFAOYSA-N	272.688	1.751	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1	55386861	WYRUJCHZOHXFJD-UHFFFAOYSA-N	276.208	1.582	5	40	CDBB	
Cc1nn(CC(=O)NC2CCCCC2)c(C)c1[N+](=O)[O-]	3606066	OYXLSNQIEFVFHQ-UHFFFAOYSA-N	280.328	1.857	5	40	CDBB	
CNC(=O)CN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	60883703	OJTQQMMMRBCRIO-UHFFFAOYSA-N	285.687	1.066	5	40	CDBB	
COCCOc1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	2383440	CLUHKBFRXSEJSB-HWKANZROSA-N	267.237	1.718	5	40	CDBB	
O=C(NC[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1	40556122	UVBIAKPLYUDUKQ-JTQLQIEISA-N	264.281	1.751	5	40	CDBB	
O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1	1657271	LGAQVCNAUXQEJZ-UHFFFAOYSA-N	263.003	1.971	5	40	CDBB	
O=C(O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1O	4160079	PKYOVCATPDWTLQ-UHFFFAOYSA-N	254.198	1.104	5	40	CDBB	
NC(=O)N[C@H](CC(=O)O)c1cc([N+](=O)[O-])ccc1Cl	4686953	DVQDCCVDTUJHTP-MRVPVSSYSA-N	287.659	1.432	5	40	CDBB	
CC(C)N(Cc1cccc([N+](=O)[O-])c1)C(=O)CN	79420858	COWXTTRMKRTODG-UHFFFAOYSA-N	251.286	1.291	5	40	CDBB	
Cc1nn(C)c2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc12	76556594	BXBFNXIHPUYVCK-UHFFFAOYSA-N	299.290	1.395	5	40	CDBB	
Cc1c(Cl)cc(S(=O)(=O)O)cc1[N+](=O)[O-]	6068996	PFQCWESEIXPRLI-UHFFFAOYSA-N	251.647	1.803	5	40	CDBB	
O=C(Nc1cccnc1Cl)c1[nH]ncc1[N+](=O)[O-]	484315	KYGUEQAGLWDNTR-UHFFFAOYSA-N	267.632	1.619	5	40	CDBB	
O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1C[C@@H]1[N+](=O)[O-]	47250197	XPAAFYVFCBXOLE-UWVGGRQHSA-N	278.264	1.452	5	40	CDBB	
O=c1[nH]c2ccccc2nc1-n1cc([N+](=O)[O-])cn1	54361212	SZBHRRRJNUUZBG-UHFFFAOYSA-N	257.209	1.017	5	40	CDBB	
O=c1[nH]c2ccccc2c2nnc(-c3cccs3)c(=O)n12	12863426	UUBPMJVNRVOPEU-UHFFFAOYSA-N	296.311	1.660	5	40	CDBB	
O=[N+]([O-])c1ccc(OCCO)cc1C(F)(F)F	38342226	QFDJIYCXXRQKQS-UHFFFAOYSA-N	251.160	1.985	5	40	CDBB	
O=c1nc2ccccn2c2c([N+](=O)[O-])cc([N+](=O)[O-])cc12	4710591	ODCUGVSBJWQWNL-UHFFFAOYSA-N	286.203	1.664	5	40	CDBB	
Cc1ccsc1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-]	15009235	PIVANJNCMHZARN-NSCUHMNNSA-N	279.277	1.924	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2n[nH]c(Cn3ccnc3)n2)c1	40176243	ZJOLVSFJJCLVFX-UHFFFAOYSA-N	270.252	1.625	5	40	CDBB	
CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCS1	78578974	IEAVEPMUXIGOBV-VIFPVBQESA-N	283.357	1.545	5	40	CDBB	
CCCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	5584956	XLMAGDNZDVANEZ-UHFFFAOYSA-N	273.314	1.454	5	40	CDBB	
COc1ccc(F)c([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])c1	13992167	NYRKYDQLOLYPTG-JQWIXIFHSA-N	268.244	1.431	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)nn1c3ccc([N+](=O)[O-])cc3[nH][n+]21	16431392	VKMNPLJOFMPYOB-UHFFFAOYSA-N	299.226	1.371	5	40	CDBB	
O=C(Cn1nnc2ccccc21)Nc1cccc([N+](=O)[O-])c1	411709	IUULABANWNRWMH-UHFFFAOYSA-N	297.274	1.978	5	40	CDBB	
O=C1NC(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc1c23	59357829	HDABQAJHPWQHNF-UHFFFAOYSA-N	287.187	1.540	5	40	CDBB	
Cc1cnc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1	19161078	LYRBNXNTLFXQLE-UHFFFAOYSA-N	258.237	1.946	5	40	CDBB	
C[C@H]1CN(CCNCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1	71792514	XHEPQRQZKNEKRB-BETUJISGSA-N	293.367	1.794	5	40	CDBB	
Cc1ccccc1CCNc1ncc([N+](=O)[O-])c(N)n1	72270808	MGEGZYUMNRAJAC-UHFFFAOYSA-N	273.296	1.930	5	40	CDBB	
CCOC(=O)c1cn([C@@H](CC)C(=O)O)nc1[N+](=O)[O-]	408715604	BYMUGHDDPGFFRJ-ZETCQYMHSA-N	271.229	1.004	5	40	CDBB	
Cc1cnc(N[C@H](C(N)=O)C(C)C)c([N+](=O)[O-])c1	95975061	LQFHGSAICLCPMT-VIFPVBQESA-N	252.274	1.220	5	40	CDBB	
CCOC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC	35333448	VDJMRTOZCLZNGP-UHFFFAOYSA-N	255.226	1.789	5	40	CDBB	
COc1ccc(-c2c([N+](=O)[O-])cnn2CCO)cc1	96527508	ACXNMASLHIIRIK-UHFFFAOYSA-N	263.253	1.459	5	40	CDBB	
CC1(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCC1	96501129	YAEQFBCJLLDGGW-UHFFFAOYSA-N	299.352	1.844	5	40	CDBB	
Cc1cc(NC(=O)N2CCC[C@@H]2CO)ccc1[N+](=O)[O-]	97095969	OHRSRSPHNSQHAG-LLVKDONJSA-N	279.296	1.892	5	40	CDBB	
CCOC(=O)CSc1ncc([N+](=O)[O-])c(NC2CC2)n1	26691258	ADTJNHDIURRLCU-UHFFFAOYSA-N	298.324	1.614	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCCCC1	65711512	XTEBQMNZNPSLND-UHFFFAOYSA-N	266.301	1.502	5	40	CDBB	
CCc1cnc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1	72303052	TXALNKVIPLTLLP-UHFFFAOYSA-N	281.297	1.898	5	40	CDBB	
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1	15174841	VTYPDDJSFYFXIR-SECBINFHSA-N	299.352	1.479	5	40	CDBB	
COc1ncccc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	75572895	KJTFBMIPLPMURE-UHFFFAOYSA-N	277.240	1.282	5	40	CDBB	
COc1cc(N2CC[C@@H](CCO)C2)ccc1[N+](=O)[O-]	78365822	UYAPPLYIWIQUPI-JTQLQIEISA-N	266.297	1.812	5	40	CDBB	
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2CC[C@H]1C2	108333273	JORZWOLOEVLWDV-RWMBFGLXSA-N	292.335	1.819	5	40	CDBB	
CCOC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1	2131964	BWWBILZBGSXIDU-UHFFFAOYSA-N	266.253	1.877	5	40	CDBB	
C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	6119967	MOASAVCGJHHBHS-PWSUYJOCSA-N	293.323	1.451	5	40	CDBB	
CCc1ccc(C(=O)NCc2nc[nH]n2)cc1[N+](=O)[O-]	89286495	SXFHIQATZVJSSI-UHFFFAOYSA-N	275.268	1.205	5	40	CDBB	
CC[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96518032	SFNDYQUFZYCAEP-SNVBAGLBSA-N	271.294	1.601	5	40	CDBB	
Cc1c(NC(=O)NC[C@@H]2COCO2)cccc1[N+](=O)[O-]	585140663	IOVOKBQYPJEVKA-SECBINFHSA-N	281.268	1.398	5	40	CDBB	
Cc1cccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)n1	1422047	SMQFDEQAZJZWJB-UHFFFAOYSA-N	289.295	1.914	5	40	CDBB	
O=[N+]([O-])c1[nH]c(-[n+]2ccccc2)nc1Br	1562917	UUMKFSDLLLDXLH-UHFFFAOYSA-N	270.066	1.357	5	40	CDBB	
COc1c(NC(=O)CC(C)=O)cccc1[N+](=O)[O-]	1583335	KMQHZMRZTSVCFW-UHFFFAOYSA-N	252.226	1.521	5	40	CDBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1	25319957	RDVMZWDPQWYIJP-UHFFFAOYSA-N	279.296	1.545	5	40	CDBB	
O=C1NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S1	1774535	DWADLBIRAWMTCN-VMPITWQZSA-N	250.235	1.919	5	40	CDBB	
CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1	5032638	NUSVFJHWHQINGA-QMMMGPOBSA-N	296.331	1.014	5	40	CDBB	
Nc1nc(Nc2ccc3c(c2)OCCO3)ncc1[N+](=O)[O-]	71285563	QZYZHSWMXZCXDY-UHFFFAOYSA-N	289.251	1.482	5	40	CDBB	
O=c1[nH]c(/C=C\c2ccc(F)cc2)nc(O)c1[N+](=O)[O-]	16400310	TUNGEXRREXLTDF-UTCJRWHESA-N	277.211	1.693	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1(N)CCC1	94294537	CQNSZNZHFAZAKU-UHFFFAOYSA-N	277.324	1.825	5	40	CDBB	
C[C@@H](Cn1cc([N+](=O)[O-])c(OCC(F)F)n1)C(=O)O	408715725	CXODYHCWEUGTJU-YFKPBYRVSA-N	279.199	1.156	5	40	CDBB	
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2)cc1[N+](=O)[O-]	84189977	NMVQOVCVHYKWRT-PWSUYJOCSA-N	277.324	1.832	5	40	CDBB	
Cc1cc(C(=O)O[C@H]2CCOC2=O)ccc1[N+](=O)[O-]	5635771	VTFKLHPYUZLTIT-JTQLQIEISA-N	265.221	1.376	5	40	CDBB	
O=C(O)CC(CC(=O)O)c1cccc([N+](=O)[O-])c1	1705737	ZFYRMOGSHWEHKY-UHFFFAOYSA-N	253.210	1.628	5	40	CDBB	
CCN(CC)C[C@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-]	2781818	YHGRYNCSPJTRFW-JTQLQIEISA-N	297.359	1.271	5	40	CDBB	
Nc1nnc(Sc2ccc([N+](=O)[O-])cn2)s1	3170782	NFZMRPJOAJZRND-UHFFFAOYSA-N	255.284	1.575	5	40	CDBB	
O=c1[nH]c2ccccc2c2nnc(-c3ccccc3)c(=O)n12	12863373	NIEPILYQVXJZFM-UHFFFAOYSA-N	290.282	1.598	5	40	CDBB	
CC(C)(C)Nc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4014430	WHYCYEUWHVNYGP-UHFFFAOYSA-N	282.256	1.812	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(Oc2ccc3c(c2)OCO3)n1	95098484	UCDGHYYIWCDELW-UHFFFAOYSA-N	263.209	1.849	5	40	CDBB	
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)CCN)CCC2	254352108	YUWVOVMUDMIUFN-WOSRLPQWSA-N	255.382	1.288	5	40	CDBB	biogenic,in-vitro
O=C(NCCNc1ccc(F)cc1[N+](=O)[O-])C1CC1	25347280	TXTGNWORFJELSX-UHFFFAOYSA-N	267.260	1.672	5	40	CDBB	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCSCC1	20606244	FYQWRHYTUSWRLD-SNVBAGLBSA-N	296.348	1.938	5	40	CDBB	
CCOC(=O)[C@@H]1CNc2cc([N+](=O)[O-])ccc2O1	60270881	YKLKADMWGXJPCX-JTQLQIEISA-N	252.226	1.331	5	40	CDBB	
Cn1nnnc1Sc1ccc(Cl)cc1[N+](=O)[O-]	984039	IEYPQOTWOMXNFV-UHFFFAOYSA-N	271.689	1.923	5	40	CDBB	
Nc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1	6414741	TTYJRCMEJINFHK-UHFFFAOYSA-N	294.296	1.026	5	40	CDBB	
O=C(Nc1ccc(O)c(Cl)c1)c1n[nH]cc1[N+](=O)[O-]	96003998	JOBAHMICIVSSSL-UHFFFAOYSA-N	282.643	1.929	5	40	CDBB	
O=[N+]([O-])c1cnn(C[C@H](O)COCc2cccs2)c1	95438791	DZOYKAYCCPQNTF-JTQLQIEISA-N	283.309	1.431	5	40	CDBB	
C[C@@H](CC(=O)O)n1cc([N+](=O)[O-])c(OCC(F)F)n1	408716303	LEBJPQZSCOJAJS-YFKPBYRVSA-N	279.199	1.471	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCCOC[C@H]2CCOC2)nc1	77229858	PTXXWKGPGRAGAX-LLVKDONJSA-N	281.312	1.845	5	40	CDBB	
O=C1NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)N1	5670844	FZPQKUVQPLLUMY-YWEYNIOJSA-N	267.628	1.429	5	40	CDBB	
COCCNC(=S)Nc1cc([N+](=O)[O-])ccc1OC	13792664	TUTXIBUIQSXJBS-UHFFFAOYSA-N	285.325	1.536	5	40	CDBB	
C[N+](C)(C)CCC[N+]1(C)C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1	17301641	KKHPAYCBXYKMHV-LLQUAZHZSA-N	250.430	1.981	5	40	CDBB	
Cc1c(CN(C)CC(=O)N2CCCC2)cccc1[N+](=O)[O-]	51148552	MUGJPBUNOLAEKD-UHFFFAOYSA-N	291.351	1.957	5	40	CDBB	
CCOC(=O)Cc1cc(Br)ncc1[N+](=O)[O-]	114980166	HIXRZMZQSZBSKF-UHFFFAOYSA-N	289.085	1.858	5	40	CDBB	
O=[N+]([O-])c1ccc(OS(=O)(=O)N2CCCCC2)cc1	15415837	LQMFYIYKJPYIBL-UHFFFAOYSA-N	286.309	1.704	5	40	CDBB	
CCC[C@@H](C)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	9218877	OCLASBIIPYOTJR-MRVPVSSYSA-N	268.317	1.713	5	40	CDBB	
CNc1ccc([C@@H]2NC(=O)[C@H]3CCCCN32)cc1[N+](=O)[O-]	71967741	QSVUUGWSUIXPLX-DGCLKSJQSA-N	290.323	1.619	5	40	CDBB	
CN(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	96500865	WEJHTXNPEPTNLM-NSHDSACASA-N	263.253	1.176	5	40	CDBB	
C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H](C)O1	15443199	VETBLVLKWBJXHX-IUCAKERBSA-N	251.286	1.791	5	40	CDBB	
O=C(O[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1	3233958	MVSUOPAOEGOYHZ-VIFPVBQESA-N	251.194	1.067	5	40	CDBB	
C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1	95447704	ZHQOLXJMOCOFNV-SECBINFHSA-N	289.291	1.937	5	40	CDBB	
CC[C@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	96468040	DCEWKYCOZKPEGJ-NSHDSACASA-N	293.323	1.548	5	40	CDBB	
COC(=O)c1ccc(N2CCOCC2)cc1[N+](=O)[O-]	90513432	JIOYNIKQOOXEAA-UHFFFAOYSA-N	266.253	1.218	5	40	CDBB	
COc1ccc(C(=O)NCC2CC2)cc1[N+](=O)[O-]	24926648	NAOWDHDJNDUFGS-UHFFFAOYSA-N	250.254	1.743	5	40	CDBB	
O=C(CCNc1ccc([N+](=O)[O-])cn1)Nc1nccs1	13683378	XKNNZLQACCLJAQ-UHFFFAOYSA-N	293.308	1.887	5	40	CDBB	
Cc1ccnc(N[C@H]2CCCN(C(N)=O)C2)c1[N+](=O)[O-]	96011319	NEOUVIGRIZAHKH-VIFPVBQESA-N	279.300	1.253	5	40	CDBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccon1	95466244	JGEJQPFDBBKLFQ-UHFFFAOYSA-N	283.265	1.692	5	40	CDBB	
O=C(O)CSc1ccc2nonc2c1[N+](=O)[O-]	4570528	NTCLGEKUBRYEQZ-UHFFFAOYSA-N	255.211	1.308	5	40	CDBB	
COC(=O)c1ncc([N+](=O)[O-])cc1Br	88190166	AHQJDOWWUXMOIR-UHFFFAOYSA-N	261.031	1.539	5	40	CDBB	
C[C@H]([N+](=O)[O-])[C@@]1(O)C(=O)c2cccc3cccc1c23	1723087	MVCYOXRLSBOWQE-RTHLEPHNSA-N	257.245	1.889	5	40	CDBB	
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(F)c1	1428148	KPTVXJUDTKDTIK-UHFFFAOYSA-N	264.216	1.569	5	40	CDBB	
CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	4508233	UDIGNCRXOKKDNA-UHFFFAOYSA-N	267.241	1.951	5	40	CDBB	
CC(C)n1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1	66385915	QAVHZSQSAAEALX-UHFFFAOYSA-N	292.299	1.598	5	40	CDBB	
CC(C)OC(=O)[C@H](C)N(C)c1ncccc1[N+](=O)[O-]	84621823	RQLUJMVMYMQEMR-VIFPVBQESA-N	267.285	1.766	5	40	CDBB	
C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1	95975216	DBMCUEPUTZVJSS-NXEZZACHSA-N	278.312	1.154	5	40	CDBB	
CC[C@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)O	95970157	IMBUAWRUGSEIQE-CPCISQLKSA-N	295.295	1.406	5	40	CDBB	
CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)(C)O	75138964	WXBAVNQDBASSJN-UHFFFAOYSA-N	295.339	1.626	5	40	CDBB	
C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	89895253	KVGOXCQMOASCKG-GXSJLCMTSA-N	293.323	1.553	5	40	CDBB	
O=C1[C@H]2CCCN2C(=O)N1Cc1c(F)cccc1[N+](=O)[O-]	78440777	IXHZREPQAVMPBZ-LLVKDONJSA-N	293.254	1.661	5	40	CDBB	
O=C1C[C@H](C(=O)O)[C@@H](c2ccccc2[N+](=O)[O-])O1	85394867	PNYFBUUZSWWNOO-OIBJUYFYSA-N	251.194	1.284	5	40	CDBB	
C[C@@H]1C[C@@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1	75609868	ULDDOCHOBKKJGN-SKDRFNHKSA-N	279.296	1.681	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	13590398	LOSCZVODBPQGOD-USZNOCQGSA-N	286.243	1.038	5	40	CDBB	
Cc1cccc(C(=O)N2CCOCC2)c1[N+](=O)[O-]	243033	JPZSFQPEEGAJOL-UHFFFAOYSA-N	250.254	1.376	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CCC(=O)N1CCC[C@@H](C)C1	2752030	RRZBPCSHMOPFMT-SNVBAGLBSA-N	280.328	1.748	5	40	CDBB	
CC[C@H](C)NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C	2807267	SCCUEPRBWOCUOG-LURJTMIESA-N	274.708	1.668	5	40	CDBB	
Cc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n(C(C)(C)C)n1	45784114	ACPGHGZAXFJKLK-BDAKNGLRSA-N	266.301	1.550	5	40	CDBB	
COC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	29223446	YQDJPZPKFJXQMS-UHFFFAOYSA-N	266.253	1.218	5	40	CDBB	in-vitro
COc1cc([N+](=O)[O-])c(OC)cc1N1CCOCC1	5141138	IMMNPCLCFUZRHP-UHFFFAOYSA-N	268.269	1.449	5	40	CDBB	
O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cccc([N+](=O)[O-])c1	4392601	XKCBQNUKULOCKR-VIFPVBQESA-N	298.320	1.358	5	40	CDBB	
O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC1	70871688	BZVIOXZIUAWNJX-UHFFFAOYSA-N	264.237	1.212	5	40	CDBB	
CC1=CC=C[C@H](Oc2ncnc(N)c2[N+](=O)[O-])[C@@H]1C	26802668	JMUHVVLSAARLND-BDAKNGLRSA-N	262.269	1.867	5	40	CDBB	
CCOC(=O)c1c[nH]c2c([N+](=O)[O-])cc(OC)cc2c1=O	5424343	LBBDRKQWRYCIMB-UHFFFAOYSA-N	292.247	1.622	5	40	CDBB	
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](O)C1	34887453	PQWGTNGDOZCMIA-GWCFXTLKSA-N	293.323	1.379	5	40	CDBB	
O=c1[nH]cnc2cc(NC[C@@H]3CCCO3)c([N+](=O)[O-])cc12	29186948	DKXQWTCJHAHVIX-QMMMGPOBSA-N	290.279	1.422	5	40	CDBB	
COC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1	2578436	VTXNCCMRLCHRSJ-UHFFFAOYSA-N	261.237	1.626	5	40	CDBB	
CC(C)OC(=O)C[C@H](N)c1ccccc1[N+](=O)[O-]	20268540	PPDSCYOUHQUYRX-JTQLQIEISA-N	252.270	1.936	5	40	CDBB	
Cc1c(C(=O)Nc2cccn(C)c2=O)cccc1[N+](=O)[O-]	74020242	ZDPFFUBLIYUQTO-UHFFFAOYSA-N	287.275	1.854	5	40	CDBB	
CC(C)N(C(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1	53834769	WHIGNYLLHSFSMR-UHFFFAOYSA-N	289.295	1.628	5	40	CDBB	
O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccccc1Cl	2795721	CJABTFFQCJEVES-UHFFFAOYSA-N	294.698	1.875	5	40	CDBB	
C[C@H]1C[C@H]1C(=O)NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1	109049123	ILAHTDREINJOAK-UFGOTCBOSA-N	294.307	1.107	5	40	CDBB	
O=[N+]([O-])c1ccc(N[C@H]2C=CS(=O)(=O)C2)c(Cl)c1	12805740	HRJZIMQUIVSQJJ-ZETCQYMHSA-N	288.712	1.971	5	40	CDBB	
Cc1nonc1OCCNc1ccc([N+](=O)[O-])cc1	4131929	PNRBLPYPEGSKQR-UHFFFAOYSA-N	264.241	1.777	5	40	CDBB	
COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)nn1	71790351	RJXAQNFCTNSGDU-UHFFFAOYSA-N	275.220	1.964	5	40	CDBB	in-vitro
CC1(C)Oc2ccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])cc2O1	46098259	PWXURLKCEVTTAI-IUCAKERBSA-N	278.264	1.798	5	40	CDBB	
Cc1c(CN2CCC[C@H]2CO)cccc1[N+](=O)[O-]	50116730	AGHKVHSDZDFEQZ-LBPRGKRZSA-N	250.298	1.860	5	40	CDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N)C[C@@H](C)O1	52840051	YEVBOFOZTNLCEN-RKDXNWHRSA-N	251.286	1.791	5	40	CDBB	
Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1ccc[nH]1	25252489	MBBDKHAWRSTOTA-UHFFFAOYSA-N	289.247	1.545	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(C2CC2)C1	57658665	IVQYEKDYJCDSIT-VIFPVBQESA-N	289.291	1.544	5	40	CDBB	
O=C(NC1CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	6923028	VRQNAHYTADIPEL-UHFFFAOYSA-N	291.307	1.324	5	40	CDBB	
Nc1c([N+](=O)[O-])c(CCC2CCCCC2)nn1CCO	96527780	UIMVIEVETPQTSG-UHFFFAOYSA-N	282.344	1.879	5	40	CDBB	
NC(=O)/C=C/c1cc(Br)cc([N+](=O)[O-])c1	253568541	LIQGABRBUJGOAE-OWOJBTEDSA-N	271.070	1.856	5	40	CDBB	
CCC(=O)N[C@H](Cc1cc([N+](=O)[O-])ccc1OC)C(=O)O	5307321	PTBRNTULLWPCEU-SNVBAGLBSA-N	296.279	1.125	5	40	CDBB	
Cc1c([N+](=O)[O-])cc(S(=O)(=O)O)cc1[N+](=O)[O-]	1651912	SWBCSBNHMVLMKP-UHFFFAOYSA-N	262.199	1.058	5	40	CDBB	
N=c1ccccn1C[C@H](O)COc1cccc([N+](=O)[O-])c1	1702185	FKVZHMLDILITCV-LBPRGKRZSA-N	289.291	1.316	5	40	CDBB	
Cc1noc(C)c1NC(=O)CCn1ncc([N+](=O)[O-])c1C	2804717	GLMIJDLRBHOXMS-UHFFFAOYSA-N	293.283	1.733	5	40	CDBB	
Cc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1[N+](=O)[O-]	7881369	QZPWLVYQQZPBKT-MRVPVSSYSA-N	264.237	1.341	5	40	CDBB	
C[C@H]1CCCC[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-]	2806699	UZNBKLVSIFCTQU-DTWKUNHWSA-N	266.301	1.637	5	40	CDBB	
CC(=O)c1ccc(N2CCC[C@H]2CO)c([N+](=O)[O-])c1	48860516	BQEHTKNFRTWIRO-NSHDSACASA-N	264.281	1.759	5	40	CDBB	
CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cnn(C)c1	95435903	OBNTYSAGUCIZHT-UHFFFAOYSA-N	296.308	1.153	5	40	CDBB	
NC(=O)[C@@H]1CCC[C@H]1Nc1cccc(F)c1[N+](=O)[O-]	95429695	KNHLLLSAOIGUBH-VXNVDRBHSA-N	267.260	1.800	5	40	CDBB	
CC[C@@H](C)NC(=O)COc1cc(C(=O)O)ccc1[N+](=O)[O-]	13034494	ZNTHBEYIDDMNBN-MRVPVSSYSA-N	296.279	1.587	5	40	CDBB	
Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-]	24989546	NDGOUTNYGYSCKH-SECBINFHSA-N	265.269	1.086	5	40	CDBB	
Nc1cc(N2CCC[C@@H]2C(=O)O)c(Cl)cc1[N+](=O)[O-]	59726323	VZPPKCYYIHBYIM-MRVPVSSYSA-N	285.687	1.884	5	40	CDBB	
Nc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-]	3912666	SFVKWQAXRKEGKX-UHFFFAOYSA-N	257.253	1.661	5	40	CDBB	
O=C1c2cccnc2C(=O)N1c1ccc([N+](=O)[O-])cc1	4008410	IEBCWWOSLZDOEZ-UHFFFAOYSA-N	269.216	1.790	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C(=O)O)CS1	4357726	HFAXIVVNHIWLLO-UWVGGRQHSA-N	268.294	1.691	5	40	CDBB	
O=C(CSc1ccccn1)Nc1nonc1[N+](=O)[O-]	4689377	CMBQZZZKKJLRIR-UHFFFAOYSA-N	281.253	1.104	5	40	CDBB	
CN(C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	95972961	QGDNXERWHSNGAY-UHFFFAOYSA-N	271.704	1.540	5	40	CDBB	
Cc1cc(C(=O)N(C)C(C)C)c(N)c([N+](=O)[O-])c1	192942882	FMSHEASNTBIUET-UHFFFAOYSA-N	251.286	1.966	5	40	CDBB	
O=[N+]([O-])c1cccc(Cl)c1N1CCS(=O)(=O)CC1	292594451	VKSDFFDQAFSOIJ-UHFFFAOYSA-N	290.728	1.483	5	40	CDBB	
C[C@H](CC(=O)O)n1cc(-n2cc([N+](=O)[O-])cn2)cn1	685936734	UOWOXAACLKSJCH-SSDOTTSWSA-N	265.229	1.013	5	40	CDBB	
CN(C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	3069576	MAKANEYAGOZLAG-VOTSOKGWSA-N	263.297	1.286	5	40	CDBB	
CCCCN(C)c1ccc(C(N)=O)cc1[N+](=O)[O-]	5939918	OPQSGALPFHCXJP-UHFFFAOYSA-N	251.286	1.930	5	40	CDBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C)C1	12558526	SZIOENCTBHJFJZ-VIFPVBQESA-N	279.296	1.497	5	40	CDBB	
COc1cc(C=O)ccc1OCn1cc([N+](=O)[O-])cn1	2785516	COMKAZLNPHLDEX-UHFFFAOYSA-N	277.236	1.649	5	40	CDBB	
O=[N+]([O-])c1ncccc1OS(=O)(=O)c1cccs1	23862464	LXKNXPHPAKFIDP-UHFFFAOYSA-N	286.290	1.819	5	40	CDBB	
C[N+](C)(C)NP(=O)(N[N+](C)(C)C)Oc1ccccc1	100949162	FYELZOXKKRZFCM-UHFFFAOYSA-N	288.332	1.595	5	40	CDBB	
Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])n2)c(C)n1C1CC1	48366957	VYWGMSMBRRPRLU-UHFFFAOYSA-N	289.295	1.822	5	40	CDBB	
CCOC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1	16125202	SHIZECNQEQRLRD-UHFFFAOYSA-N	293.323	1.523	5	40	CDBB	
Nc1nc(N[C@H]2CCCSC2)ncc1[N+](=O)[O-]	75094121	YGOREUNAOOKUHY-LURJTMIESA-N	255.303	1.275	5	40	CDBB	
Nc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1	72265577	DFFYBCRURDSRRD-UHFFFAOYSA-N	293.304	1.978	5	40	CDBB	
Cc1cc(-n2cnnc2[S@](C)=O)ccc1[N+](=O)[O-]	92653951	MFZWJSMYZTXQEM-GOSISDBHSA-N	266.282	1.221	5	40	CDBB	
O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12	12396832	RMBUUHBJGKPHDT-UHFFFAOYSA-N	285.219	1.398	5	40	CDBB	
O=C(NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1	580884	IPRBAOQJVHTAGW-NSHDSACASA-N	250.254	1.504	5	40	CDBB	
Nc1nc(NCc2ccc3c(c2)OCO3)ncc1[N+](=O)[O-]	56908479	BOZPTMHUICNNLY-UHFFFAOYSA-N	289.251	1.308	5	40	CDBB	
O=c1[nH]c(/C=C\c2ccc(O)cc2)nc(O)c1[N+](=O)[O-]	9010345	NWHGFUWNZRJJDN-UTCJRWHESA-N	275.220	1.260	5	40	CDBB	
CCOC(=O)/C=C/COc1ccc(C)nc1[N+](=O)[O-]	72233541	YUMCISOCOAUYGO-SNAWJCMRSA-N	266.253	1.796	5	40	CDBB	
NC(=O)c1cc(Br)cc([N+](=O)[O-])c1O	73636339	SSGZMICESZQDHU-UHFFFAOYSA-N	261.031	1.162	5	40	CDBB	
COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	35177862	FEWRUDJRBWVDNM-ZETCQYMHSA-N	284.293	1.434	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1COCCO1	44977118	NJQPIGYZLZCCMS-JTQLQIEISA-N	296.279	1.209	5	40	CDBB	
CCCC(=O)NCCc1nc2cc([N+](=O)[O-])ccc2n1C	8684809	PYHJBXPURDKVLS-UHFFFAOYSA-N	290.323	1.940	5	40	CDBB	
CCNC(=O)[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-]	8338481	HPGQQENHPSFRSU-ZCFIWIBFSA-N	283.313	1.241	5	40	CDBB	
Cc1ccc(NC(=O)c2ccc(=O)n(C)c2)cc1[N+](=O)[O-]	36394073	RKOYTINWATUXIQ-UHFFFAOYSA-N	287.275	1.854	5	40	CDBB	
O=C(O)C1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1	71173387	ODBMRECPBWEWDT-UHFFFAOYSA-N	256.645	1.769	5	40	CDBB	
CSC[C@@H](CCO)Nc1ncc([N+](=O)[O-])cc1C	96419495	GHQJBKAERSNWGM-SECBINFHSA-N	271.342	1.824	5	40	CDBB	
CCO[C@@H]1OC(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]12	5840237	ZEPOFTXLDBUZGM-SUZMYJTESA-N	292.247	1.233	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1OCCN1CCOC1=O	31674379	JERFDKLWIIFIAC-UHFFFAOYSA-N	282.252	1.434	5	40	CDBB	
CN(CC(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	32923823	DIBSQSFQPATXAC-UHFFFAOYSA-N	298.242	1.778	5	40	CDBB	
Cc1nnc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)o1	84291604	LXXJGRQUSLGYGI-UHFFFAOYSA-N	286.251	1.593	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)N1CCc2ccccc2C1	12791099	JNZZURNSRYNWRI-UHFFFAOYSA-N	286.291	1.376	5	40	CDBB	
Cc1cc([C@@H]2CCCN2c2c([N+](=O)[O-])ncn2C)no1	29527330	QBWHOYZICGAUET-JTQLQIEISA-N	277.284	1.966	5	40	CDBB	
CC(=O)c1ccc(N2CCC[C@@H]2CO)c([N+](=O)[O-])c1	48860513	BQEHTKNFRTWIRO-LLVKDONJSA-N	264.281	1.759	5	40	CDBB	
COC(=O)C(C)(C)NC(=O)c1ccccc1[N+](=O)[O-]	32816729	LXHBXTIRURAHLG-UHFFFAOYSA-N	266.253	1.276	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1Sc1nnc(C)n1N	70462282	UNYQCJKZOYMCCU-UHFFFAOYSA-N	281.297	1.368	5	40	CDBB	
COc1cc([N+](=O)[O-])c(C=O)c(C(=O)O)c1OC	1610406	JPZSWEVYVKOIFO-UHFFFAOYSA-N	255.182	1.123	5	40	CDBB	
CC[C@@H]1CN1P1(=O)OCC(CC)([N+](=O)[O-])CO1	4990822	RGGODSWNXJVWQV-RQBHFSLXSA-N	264.218	1.661	5	40	CDBB	
Cc1ccc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])o1	409313469	CBLOVOPKSQFKBS-PLNGDYQASA-N	263.209	1.868	5	40	CDBB	
Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	36297377	NSOBZEQTVMSDKT-UHFFFAOYSA-N	293.304	1.978	5	40	CDBB	
CCOC(=O)Cc1nc2ccccc2c2nc(=O)c(C)nn12	89984711	MTAUVKNRZOAYDL-UHFFFAOYSA-N	298.302	1.052	5	40	CDBB	
O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCCC[C@H]2CO)c1	252585537	JFIGOTMBFRJSAJ-AEGPPILISA-N	294.351	1.769	5	40	CDBB	
Cc1ccc(N[C@]2(C)CS(=O)(=O)C[C@@H]2[N+](=O)[O-])cc1	5337576	NCFNSTCXMUWFPM-NWDGAFQWSA-N	284.337	1.239	5	40	CDBB	
COc1nonc1O[C@@H](C)CNc1ccc([N+](=O)[O-])cc1	5354391	OCELURPNIFFMQE-QMMMGPOBSA-N	294.267	1.866	5	40	CDBB	
O=C(O)[C@H]1CS[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	6219606	DVGHWKMKBVJDGU-LDWIPMOCSA-N	298.276	1.112	5	40	CDBB	
O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1	6225762	JSAPSBSFKXJPNP-VIFPVBQESA-N	259.225	1.118	5	40	CDBB	
O=c1oc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2s1	3147712	HEDWENCXCAWXDA-UHFFFAOYSA-N	258.167	1.377	5	40	CDBB	
O=C(NCC[C@H]1CCCO1)c1ccc([N+](=O)[O-])o1	58431283	SZIJMJXIFBMEEP-MRVPVSSYSA-N	254.242	1.487	5	40	CDBB	
CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl	4549983	HFRRHHSEMHKKIK-UHFFFAOYSA-N	250.663	1.620	5	40	CDBB	
Cn1c2nc(=O)[nH]c(=O)c-2c(Cl)c2ccccc21	66339769	WHSUEMUITSWYPN-UHFFFAOYSA-N	261.668	1.380	5	40	CDBB	
CCOC(=O)c1cc(Cn2cc([N+](=O)[O-])cn2)on1	66088543	VOVDXSBKBJGFQP-UHFFFAOYSA-N	266.213	1.004	5	40	CDBB	
Cc1cc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)on1	32388365	ZECLUGPMTGZJJC-UHFFFAOYSA-N	287.231	1.687	5	40	CDBB	
O=C(O)/C=C/c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	44154656	IMCFIUROWKZUNG-DAFODLJHSA-N	278.264	1.529	5	40	CDBB	
CN1CC[C@H](N(C)c2cccc(F)c2[N+](=O)[O-])C1=O	96444369	JSHFIMJHZQZORX-JTQLQIEISA-N	267.260	1.401	5	40	CDBB	
NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccncc1[N+](=O)[O-]	106836350	LAOKBYFBBFJDKS-NHCYSSNCSA-N	290.323	1.613	5	40	CDBB	
O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccco2)nc1	12737245	BZQQOMKSXDCCKA-SNVBAGLBSA-N	277.280	1.846	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)N1	4321354	ODAGIQIWCQSUQH-DTORHVGOSA-N	280.284	1.690	5	40	CDBB	
CC[C@](C)(O)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC	66157259	PYAUROQFIZCKPX-ZDUSSCGKSA-N	297.311	1.886	5	40	CDBB	
C[C@H](CO)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1	84640242	GSIUPQWFMIZYAV-ZJUUUORDSA-N	266.297	1.270	5	40	CDBB	
CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C/[N+](=O)[O-])CC1	409007057	MPSDWGQSKNCNLO-SNAWJCMRSA-N	292.295	1.594	5	40	CDBB	
Nc1cc[n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	5179872	MZHVFDUPQXUBJT-UHFFFAOYSA-O	261.217	1.362	5	40	CDBB	
CCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1[N+](=O)[O-]	4127808	YUWOEEMEHOJIMH-UHFFFAOYSA-N	269.213	1.860	5	40	CDBB	
Cc1ccc(-c2ccc(C(=O)NCCO)o2)c([N+](=O)[O-])c1	8020304	FQKCZNBGQLHJBJ-UHFFFAOYSA-N	290.275	1.885	5	40	CDBB	
O=[N+]([O-])c1cccnc1N1CCN(Cc2ccon2)CC1	78451157	STJIILXWICRXLY-UHFFFAOYSA-N	289.295	1.300	5	40	CDBB	
O=C1NC(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S1	34911197	CNQAUUWTCOSDSC-XBXARRHUSA-N	266.234	1.624	5	40	CDBB	
CC(=O)OC[C@@H]([C@H](OC(C)=O)c1ccccc1)[N+](=O)[O-]	5166152	AYBALPYBYZFKDS-QWHCGFSZSA-N	281.264	1.499	5	40	CDBB	
O=CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	13646407	HGWONTZZOZRUNZ-UHFFFAOYSA-N	297.698	1.162	5	40	CDBB	
O=C(N[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1	58158447	YYJKIUVBZAAPCG-NSHDSACASA-N	275.308	1.561	5	40	CDBB	
COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)N=C1C(C)=O	4860389	ZFVKTTBERGDBCI-LLVKDONJSA-N	291.263	1.149	5	40	CDBB	
CC(C)[C@H](N)c1n[nH]c(-c2cc([N+](=O)[O-])ccc2O)n1	95534800	ZJXBWDCBTNPLNM-JTQLQIEISA-N	277.284	1.741	5	40	CDBB	
O=[N+]([O-])c1cnn(Cc2nc(-c3ccncc3)no2)c1	4760997	QSWSXTWCCNQENJ-UHFFFAOYSA-N	272.224	1.285	5	40	CDBB	
N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	35048990	KVCPQALNABYHSN-VXGBXAGGSA-N	299.352	1.143	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCCC1	58023516	PNLGMHRLXDZAJR-UHFFFAOYSA-N	293.323	1.889	5	40	CDBB	
Cc1c(CNC2(CO)CCOCC2)cccc1[N+](=O)[O-]	69248575	BDKDOCLRMXJNFH-UHFFFAOYSA-N	280.324	1.534	5	40	CDBB	
CC1=CC=C[C@@H](Oc2ncnc(N)c2[N+](=O)[O-])[C@@H]1C	26802680	JMUHVVLSAARLND-RKDXNWHRSA-N	262.269	1.867	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccnc1	37868445	SQQPWRJXYOOSBI-UHFFFAOYSA-N	271.276	1.849	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nnn[nH]2)cc1C(F)(F)F	40566718	UIXCEXLZCOXUSZ-UHFFFAOYSA-N	259.147	1.794	5	40	CDBB	
CN(C)c1nc(N)nc(COc2ccccc2[N+](=O)[O-])n1	12488802	ZHQXHNCKMIJAKX-UHFFFAOYSA-N	290.283	1.007	5	40	CDBB	
COC(=O)CCNc1ccc([N+](=O)[O-])cc1C(=O)OC	48354846	OSIILENXBQHANW-UHFFFAOYSA-N	282.252	1.356	5	40	CDBB	
COc1ccc(NC(C)=O)c([N+](=O)[O-])c1[N+](=O)[O-]	4748247	FBIWPANFNJPCMU-UHFFFAOYSA-N	255.186	1.470	5	40	CDBB	
COC(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F	38850	LIHSLTZTQWHXTJ-UHFFFAOYSA-N	270.216	1.626	5	40	CDBB	
CC(=O)Cc1cc(CC(C)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	3845201	PHRKUXAUPMKQMQ-UHFFFAOYSA-N	280.236	1.766	5	40	CDBB	
CNC(=O)c1cc(N2CCC[C@@H](CO)C2)ccc1[N+](=O)[O-]	58168245	BRPQZROHPVWLFQ-SNVBAGLBSA-N	293.323	1.163	5	40	CDBB	
O=C1OCC[C@@H]1N1CCN(c2ccccc2[N+](=O)[O-])CC1	36386896	XAHDFGOWZBMSHT-ZDUSSCGKSA-N	291.307	1.032	5	40	CDBB	
Cc1nn(C)c(N2CCC(n3ccnn3)CC2)c1[N+](=O)[O-]	97235363	GNXVIVPKOAFCTP-UHFFFAOYSA-N	291.315	1.070	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCCc1nncn1C1CC1	75141934	STUNYAOXVXJDDM-UHFFFAOYSA-N	274.284	1.571	5	40	CDBB	
Cn1cc(CN(C#N)c2ccc(F)c([N+](=O)[O-])c2)cn1	89755693	VFOUDGHPSWTSFU-UHFFFAOYSA-N	275.243	1.955	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nsc(N3CCNCC3)n2)cc1	216642771	JMSXPNLWRZDILP-UHFFFAOYSA-N	291.336	1.523	5	40	CDBB	
CC[C@H](C)ONC(=O)c1cc([N+](=O)[O-])ccc1N	195577298	NWRVMYDPZCKKJG-ZETCQYMHSA-N	253.258	1.637	5	40	CDBB	
O=[N+]([O-])c1cnn(C[C@@H](O)CSc2ccccn2)c1	96435696	IVNDRNINUSTLMX-SNVBAGLBSA-N	280.309	1.340	5	40	CDBB	
COC(=O)c1occc1Cn1ccc(=O)c([N+](=O)[O-])c1	96468071	FKFQCFOXSOGIEN-UHFFFAOYSA-N	278.220	1.184	5	40	CDBB	
CC[C@@H](CCO)CNC(=O)c1cc([N+](=O)[O-])ccc1OC	79073276	QCIVTOHKSLGUGJ-JTQLQIEISA-N	296.323	1.742	5	40	CDBB	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]12	5347338	ANESJQQRIFXIQS-ZYHUDNBSSA-N	262.265	1.821	5	40	CDBB	
Cc1cc(C(=O)O[C@@H]2CCOC2=O)ccc1[N+](=O)[O-]	5635768	VTFKLHPYUZLTIT-SNVBAGLBSA-N	265.221	1.376	5	40	CDBB	
Cc1c([N+](=O)[O-])cc(NC(=O)/C=C/C(=O)O)cc1[N+](=O)[O-]	1690498	NVHUSKIIOCPXRK-NSCUHMNNSA-N	295.207	1.391	5	40	CDBB	
Cc1cc(Cl)nc(N2CCOCC2)c1[N+](=O)[O-]	230556339	XELZEKNBMZWNDJ-UHFFFAOYSA-N	257.677	1.788	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCSCC1	48562047	YEHCTHLQONKRAT-UHFFFAOYSA-N	282.321	1.935	5	40	CDBB	
O=C(NCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])s1	68746133	DDCTVFBMJAQABG-UHFFFAOYSA-N	283.309	1.009	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(N)=O)o1	40544988	PHSCGRIJRFUJIX-UHFFFAOYSA-N	262.221	1.962	5	40	CDBB	
COCCCOc1cc(C(N)=O)cc([N+](=O)[O-])c1Cl	1777699157	PNXWODLDHZRKJE-UHFFFAOYSA-N	288.687	1.762	5	40	CDBB	
CCn1c(C)nc([N+](=O)[O-])c1Sc1ncn[nH]1	13207714	ZBAYNKOQYNFJRY-UHFFFAOYSA-N	254.275	1.389	5	40	CDBB	
COc1ccc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1	210955	XTYXKLZQDSOFES-PWSUYJOCSA-N	250.254	1.292	5	40	CDBB	
COc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C	419186	XXEAOPLNKFUCSD-UHFFFAOYSA-N	290.279	1.747	5	40	CDBB	
Cc1ccccc1C(=O)NCCn1cc([N+](=O)[O-])cn1	2796224	CQIAWDQSOOECLB-UHFFFAOYSA-N	274.280	1.530	5	40	CDBB	
CC(=O)Oc1c(C(=O)O)cc(C)c(C)c1[N+](=O)[O-]	57340109	OCAQIVRVWAMYFB-UHFFFAOYSA-N	253.210	1.835	5	40	CDBB	
CNc1ccc(CNCCN2CCCC2)cc1[N+](=O)[O-]	71792493	SHYDXWPDEMJSGN-UHFFFAOYSA-N	278.356	1.822	5	40	CDBB	
CC1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCNCC1	125639907	ZKPWFPVDLIAFAN-UHFFFAOYSA-N	295.314	1.853	5	40	CDBB	
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])o1	24723427	BBRMQLGMHYDACG-QMMMGPOBSA-N	284.268	1.505	5	40	CDBB	
CCn1c(=O)c([N+](=O)[O-])c(NCCCO)c2ccccc21	5556476	PTTSBDTZXLTOBB-UHFFFAOYSA-N	291.307	1.724	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1Sc1ncccc1N	481412	VMAZUSNGCHGDOE-UHFFFAOYSA-N	251.271	1.457	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1N1CCC(c2cc(N)[nH]n2)CC1	79023806	ACPDUXLRWGGNDU-UHFFFAOYSA-N	291.315	1.018	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCOC3)no2)cc1O	97102710	YGZJPNKKXRCOQK-MRVPVSSYSA-N	277.236	1.854	5	40	CDBB	
O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2[nH]ncc2C1	97112378	VKWDVGIXSRBMMA-UHFFFAOYSA-N	288.263	1.222	5	40	CDBB	
Cc1cc(C(=O)N2CCC[C@H]2C(=O)O)ccc1[N+](=O)[O-]	19276427	GQHRWPKZHAUFMN-NSHDSACASA-N	278.264	1.592	5	40	CDBB	
O=CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	20436455	VPUSANVQFLGLOI-UHFFFAOYSA-N	269.688	1.527	5	40	CDBB	
C[C@H](O)[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	97232756	DFBRNRHAVABDRV-FZMZJTMJSA-N	292.335	1.899	5	40	CDBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)NCCCO	96231652	XKADUVHMZIXMAN-UHFFFAOYSA-N	277.280	1.048	5	40	CDBB	
CCS(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C	96137123	CAAIOYWKUVHTOF-UHFFFAOYSA-N	296.308	1.184	5	40	CDBB	
O=C(NCc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-]	5251380	BXXJOUVHVCNUKI-UHFFFAOYSA-N	299.286	1.850	5	40	CDBB	
Cc1cc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c(=O)[nH]1	4248357	HAECQMBQLFXLMQ-UHFFFAOYSA-N	292.222	1.950	5	40	CDBB	
O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc[nH]1	32820645	YPCSKCSMALFMGI-UHFFFAOYSA-N	274.280	1.765	5	40	CDBB	
CC(=O)[C@H]1C[C@H](CC(=O)N2CC[N+](C)(C)CC2)C1(C)C	3102260	HVPHBXGPVVDZRF-ZIAGYGMSSA-N	281.420	1.546	5	40	CDBB	
COC(=O)c1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-]	6412838	ZJCCAPANHVAOFB-UHFFFAOYSA-N	290.235	1.357	5	40	CDBB	
Cc1cc(N[C@H]2CCCN(C(N)=O)C2)ncc1[N+](=O)[O-]	96011313	HYUITSKVGCHMOU-VIFPVBQESA-N	279.300	1.253	5	40	CDBB	
C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl	70069734	LYVSNBRIOOKNKK-ZETCQYMHSA-N	297.698	1.209	5	40	CDBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccc(=O)[nH]c1	72288699	HYAXROAMUMLUIW-SOFGYWHQSA-N	299.286	1.613	5	40	CDBB	
C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1	95450004	VERZUSVTWJBQHG-QMMMGPOBSA-N	267.285	1.868	5	40	CDBB	
C[C@@H](Cn1cccn1)OC(=O)c1ccc(N)c([N+](=O)[O-])c1	83793639	HNGFKYAUCOQIPS-VIFPVBQESA-N	290.279	1.619	5	40	CDBB	
CN1CCC(Nc2ccc([N+](=O)[O-])c(N)n2)CC1	94261279	PPVNHWWMKVFHCQ-UHFFFAOYSA-N	251.290	1.078	5	40	CDBB	
C[N+](C)(C)CCN(CC[N+](C)(C)C)c1ccccc1	5336332	GULKCRMHWSSAOM-UHFFFAOYSA-N	265.445	1.905	5	40	CDBB	
Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)no1	107980869	JBOVBPHFWNHVMW-UHFFFAOYSA-N	296.670	1.870	5	40	CDBB	
O=C(Nc1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1	96003314	BAOUMKGMNCNHOQ-UHFFFAOYSA-N	287.279	1.775	5	40	CDBB	
CCOC(=O)c1nc(-c2cc([N+](=O)[O-])ccc2OC)n[nH]1	85386004	WHGXFHLTPAWSMP-UHFFFAOYSA-N	292.251	1.565	5	40	CDBB	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cnn(C)c1	195567469	BSFAGYMPGFURMX-QMMMGPOBSA-N	290.279	1.525	5	40	CDBB	
O=C(NC[C@@H]1CCNC1)c1ccc(F)cc1[N+](=O)[O-]	125920677	AHFFSUGNWGVLOH-MRVPVSSYSA-N	267.260	1.073	5	40	CDBB	
O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	110990	LOSCZVODBPQGOD-BKUVIOGVSA-N	286.243	1.038	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@H](C)C2)n1	2777677	NYAUHBBSMFPXIB-RKDXNWHRSA-N	282.300	1.061	5	40	CDBB	
O=C(O[C@H]1CCOC1=O)c1ccc(Cl)c([N+](=O)[O-])c1	3288371	SDYSTELIPNOBNA-VIFPVBQESA-N	285.639	1.721	5	40	CDBB	
CCOCc1cc([N+](=O)[O-])ccc1NCC(=O)NC1CC1	195543883	ISEDSMATPUSGTD-UHFFFAOYSA-N	293.323	1.822	5	40	CDBB	
C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1	92658689	PNENSUMQEBZNAO-LURJTMIESA-N	262.212	1.989	5	40	CDBB	
CN(C)CCNc1ccc(C(=O)O)cc1[N+](=O)[O-]	13079405	JVXUOEPLAWLTDA-UHFFFAOYSA-N	253.258	1.267	5	40	CDBB	
C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)NCc1ccco1	7045063	ZCAKZLCJARFJDJ-VIFPVBQESA-N	291.263	1.667	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NCC(=O)NC1CC1	9157461	KYGGGECUANHGGE-UHFFFAOYSA-N	265.269	1.294	5	40	CDBB	
Cc1cc(=O)n(CC(=O)Nc2nccs2)cc1[N+](=O)[O-]	89568484	ABELYNRVMGRSNH-UHFFFAOYSA-N	294.292	1.160	5	40	CDBB	
Nc1ccc(C(=O)OCCc2cccnc2)cc1[N+](=O)[O-]	79102014	CAVWEENMMQNOGF-UHFFFAOYSA-N	287.275	1.972	5	40	CDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)O1	35571841	VGOLNVZXOIJBKT-RKDXNWHRSA-N	252.270	1.914	5	40	CDBB	
O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC1CC1	2635271	TUXONLWTPGAAIP-UHFFFAOYSA-N	298.682	1.684	5	40	CDBB	
O=[N+]([O-])c1ccc(Sc2nnc[nH]2)c([N+](=O)[O-])c1	6092170	DKWSAVGWRKSTQR-UHFFFAOYSA-N	267.226	1.772	5	40	CDBB	
CCCCNC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	25592924	XCSCMVKPYIGZPS-UHFFFAOYSA-N	293.279	1.419	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C(=O)O)C1	62119318	LMNPKVXFQLLQSN-SECBINFHSA-N	278.264	1.450	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)nc1	5949391	HMEZOWRWUTUHGM-UHFFFAOYSA-N	285.307	1.711	5	40	CDBB	
Cc1nn(CC(=O)NC2CCCC2)c(C)c1[N+](=O)[O-]	8156012	BNKCBTHVSFRJTE-UHFFFAOYSA-N	266.301	1.467	5	40	CDBB	
COC(=O)c1oc(Cn2ccc(=O)c([N+](=O)[O-])c2)cc1C	84124131	GIBPVYPFGKTRAV-UHFFFAOYSA-N	292.247	1.493	5	40	CDBB	
O=c1[nH]c(Cn2cccc([N+](=O)[O-])c2=O)nc2ccccc12	72282631	DVUBDDAICOVYQT-UHFFFAOYSA-N	298.258	1.041	5	40	CDBB	
Cn1nc2c(Br)ccc([N+](=O)[O-])c2n1	218256938	PHNKHEFTXWMSLD-UHFFFAOYSA-N	257.047	1.639	5	40	CDBB	
O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@H]1[N+](=O)[O-]	48918819	LUEAZYMKRHNZEY-RKDXNWHRSA-N	290.304	1.809	5	40	CDBB	
COc1ccc(F)c([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c1	13992176	NYRKYDQLOLYPTG-ZYHUDNBSSA-N	268.244	1.431	5	40	CDBB	
COc1ccc(O[C@@H](C)C(=O)N2CCCC2)c([N+](=O)[O-])c1	5429547	VWOLEXJKVYLQIZ-JTQLQIEISA-N	294.307	1.993	5	40	CDBB	
C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(N)=O	35149163	JKKDOPZYNSBKJT-YFKPBYRVSA-N	277.202	1.899	5	40	CDBB	
C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc([N+](=O)[O-])cn1	40549056	ZLXBGEVVIHWHPB-BDAKNGLRSA-N	264.285	1.080	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2N)C[C@H](C)O1	52840050	YEVBOFOZTNLCEN-IUCAKERBSA-N	251.286	1.791	5	40	CDBB	
CC1=C([N+](=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C	57531525	KJXCUOVCIPTKJO-SNVBAGLBSA-N	292.251	1.799	5	40	CDBB	
CC(C)(C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1	26511488	ABDWRTFWJAUQDO-UHFFFAOYSA-N	278.308	1.731	5	40	CDBB	
O=C(NC[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-]	9256889	FXVISIAXCUOUIW-VIFPVBQESA-N	265.269	1.895	5	40	CDBB	
Cn1c(=O)[nH]c(=O)c2c(-c3cccc([N+](=O)[O-])c3)ccnc21	5451696	RQUKFDXMGXNAGA-UHFFFAOYSA-N	298.258	1.197	5	40	CDBB	
CC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2C)n1	195429041	WFXHCUKFMDJLNZ-UHFFFAOYSA-N	287.275	1.711	5	40	CDBB	
CC(C)(C)NCCNC(=O)c1ccc([N+](=O)[O-])cc1F	96418689	APHXTJINKGGBBR-UHFFFAOYSA-N	283.303	1.852	5	40	CDBB	
CCOC(=O)C(C(=O)OCC)c1ccc(F)cc1[N+](=O)[O-]	98177712	XEDHNTPQPKCZSF-UHFFFAOYSA-N	299.254	1.944	5	40	CDBB	
C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1O	97235366	ICLOZMFKQFQVOM-KCJUWKMLSA-N	279.296	1.020	5	40	CDBB	
C[C@@H](CO)CSCc1ccc(C(N)=O)cc1[N+](=O)[O-]	89081317	NBCSNHBKZVRCDU-QMMMGPOBSA-N	284.337	1.555	5	40	CDBB	
Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N	5411334	VUHYLOWQLURWRK-UHFFFAOYSA-N	265.298	1.501	5	40	CDBB	
CC1(C)[C@@H]([N+](=O)[O-])CN(Cc2ccccc2)C[C@@H]1[N+](=O)[O-]	55002739	CHKBIURCLZRTMT-STQMWFEESA-N	293.323	1.819	5	40	CDBB	
CN(Cc1nnc2ccccn12)c1ccc([N+](=O)[O-])cn1	58156614	GHFPFVIQZZPZAC-UHFFFAOYSA-N	284.279	1.669	5	40	CDBB	
COC(=O)[C@@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2C)C1	45953524	RUTYCJUHGFZGBN-SECBINFHSA-N	278.264	1.429	5	40	CDBB	
COc1nc(NC(C)=O)c2c(=O)oc3ccccc3c2n1	226761232	QGBFYMHMIPHRDW-UHFFFAOYSA-N	285.259	1.703	5	40	CDBB	
COc1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1	37135	VXMNLEVZLDKAHF-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
CC(C)(C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	3552403	FKCUOWOFQHURQP-UHFFFAOYSA-N	293.323	1.629	5	40	CDBB	
C[C@H](Sc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O	4130298	NZXDKUJOKZPQSJ-LURJTMIESA-N	294.292	1.611	5	40	CDBB	
C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1	69670205	AMXALAXYAKVBRA-SNVBAGLBSA-N	283.303	1.237	5	40	CDBB	
COCC1CCN(c2ccncc2[N+](=O)[O-])CC1	71900403	RXNJLFZMHWYAPG-UHFFFAOYSA-N	251.286	1.853	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C(C)(C)C	78515806	RUSCJRDMRIYLCW-UHFFFAOYSA-N	280.328	1.872	5	40	CDBB	
Cc1nc(NN)nc(N(C)c2ccccc2)c1[N+](=O)[O-]	4714173	ZYXHQLRYMNWLRH-UHFFFAOYSA-N	274.284	1.747	5	40	CDBB	
O=C(NC1CC1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	20625082	TVDRRNPJXMSIQN-SNVBAGLBSA-N	290.323	1.485	5	40	CDBB	
CCN(CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC	1747158	WTFSSDYAZCHKSU-UHFFFAOYSA-N	295.339	1.675	5	40	CDBB	
CCCc1nc(CNC(=O)c2ccccc2[N+](=O)[O-])no1	6636496	NVCCFLPTIDLVTM-UHFFFAOYSA-N	290.279	1.860	5	40	CDBB	
O=C(O)C1=NN(c2cccc([N+](=O)[O-])c2)C(=O)CC1	34956947	NMQIIAJLAFLWFB-UHFFFAOYSA-N	263.209	1.162	5	40	CDBB	
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1	4350582	HHQSPRXRDUGFMO-MRVPVSSYSA-N	286.719	1.698	5	40	CDBB	
O=[N+]([O-])c1cnc(S)c(I)c1	14983024	XOWZPOHVAGUMJP-UHFFFAOYSA-N	282.062	1.883	5	40	CDBB	
O=Cc1cc([N+](=O)[O-])cc(I)c1O	224776	CNHWDOFIWJSFFV-UHFFFAOYSA-N	293.016	1.718	5	40	CDBB	
N=C(N)c1cc(I)cc([N+](=O)[O-])c1	4014361	VRCINAZTWBQGIX-UHFFFAOYSA-N	291.048	1.483	5	40	CDBB	
COC[C@]1(C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	66082882	FAZHOWQQANRVHY-ZDUSSCGKSA-N	293.279	1.052	5	40	CDBB	
Nc1nc(NCCCc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1	17040224	QHSZTNIACJEGSS-UHFFFAOYSA-N	289.295	1.305	5	40	CDBB	
COc1ccc(Cn2nc(N)c([N+](=O)[O-])c2C)cc1	1848351670	UHMQEPLHADLQMD-UHFFFAOYSA-N	262.269	1.739	5	40	CDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(=O)oc1	529290	PMAJKPHDJRVVPI-UHFFFAOYSA-N	260.205	1.800	5	40	CDBB	
O=C(O)c1cn(Cc2ccc(F)cc2)nc1[N+](=O)[O-]	408716872	SBWWJTSMKNLIPB-UHFFFAOYSA-N	265.200	1.677	5	40	CDBB	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@H]1C[C@H]1[N+](=O)[O-]	245344149	XVIXDFZUPCBFAR-UHIISALHSA-N	289.335	1.913	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1Sc1nccc(O)n1	16385744	YFETXCPOAPMYFE-UHFFFAOYSA-N	293.260	1.940	5	40	CDBB	
CCCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1	5077138	PTPVUSULIUDFKH-UHFFFAOYSA-N	266.253	1.877	5	40	CDBB	
CCCCC(=O)Oc1cc(C)[nH]c(=O)c1[N+](=O)[O-]	13523203	BKZRZPXJLAOYTD-UHFFFAOYSA-N	254.242	1.687	5	40	CDBB	
O=C1CCC[C@@H]2[C@@H]3CCC[N@+]4([O-])CCC[C@H](CN12)[C@@H]34	247443835	XVPBINOPNYFXID-JINKPPJBSA-N	264.369	1.884	5	40	CDBB	biogenic,in-vitro
CCC(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1	9140596	OPBYBUIIGJQCSI-UHFFFAOYSA-N	268.298	1.322	5	40	CDBB	
O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1	45062361	ILTWUBNDUIMLRY-UONOGXRCSA-N	290.319	1.763	5	40	CDBB	
O=C1Nc2cc([N+](=O)[O-])ccc2O[C@]1(O)C(F)(F)F	2492376	CATUPQKMCLYNGQ-QMMMGPOBSA-N	278.142	1.177	5	40	CDBB	
C[C@](Cl)(C(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96518310	BSPMBRBCNHDGBS-SNVBAGLBSA-N	291.712	1.777	5	40	CDBB	
O=C(Nc1nnc2n1CCCC2)c1ccccc1[N+](=O)[O-]	97236412	QMUPGEKXVFONOI-UHFFFAOYSA-N	287.279	1.775	5	40	CDBB	
CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	77235859	ZLTAVUQCVJRQKB-MWLCHTKSSA-N	299.352	1.758	5	40	CDBB	
CC(C)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O	3881143	VBEHQASEEGNKET-NSHDSACASA-N	295.295	1.375	5	40	CDBB	
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@@H]2CC[C@@H]1C2	102787065	XUYQBNQVKHVWSI-KKOKHZNYSA-N	292.339	1.732	5	40	CDBB	
O=c1cc(N2CCCC2)[nH]n1-c1ccc([N+](=O)[O-])cc1	100038165	GOQYIGNJMNGUBT-UHFFFAOYSA-N	274.280	1.674	5	40	CDBB	
CC[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	4313644	DWRZOYXDFHTLDM-SECBINFHSA-N	272.326	1.980	5	40	CDBB	
O=[N+]([O-])c1cnccc1N1CCC[C@H](c2nc[nH]n2)C1	89884897	IPEBKPFCGPZSBL-VIFPVBQESA-N	274.284	1.492	5	40	CDBB	
CC[C@@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	96519546	QTVSBUJGYPGQBI-RYUDHWBXSA-N	287.337	1.842	5	40	CDBB	
Cc1nn(C)c(N2CCC[C@H](c3nc[nH]n3)C2)c1[N+](=O)[O-]	96452900	XNACUHXZLWIFBS-VIFPVBQESA-N	291.315	1.139	5	40	CDBB	
Cn1ccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1	97101029	IEDITPNOHZZWMP-UHFFFAOYSA-N	276.252	1.215	5	40	CDBB	
COc1cc(/C=C2/SC(=O)NC2=O)cc([N+](=O)[O-])c1O	15011974	NUKUFIYNEFXNIP-XBXARRHUSA-N	296.260	1.633	5	40	CDBB	
Cc1ccc(C(O)(O)/C(=C2/CCCCCN2)[N+](=O)[O-])cc1	5540215	AABXNTCBDUHNCT-BUHFOSPRSA-N	292.335	1.784	5	40	CDBB	
Cc1cc(NCCc2nccn2C)ncc1[N+](=O)[O-]	73000313	FLSRGZXTMYWBFN-UHFFFAOYSA-N	261.285	1.686	5	40	CDBB	
C[C@@H](O)CCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	1557948	CXYZURRQMHSMIT-PHDIDXHHSA-N	280.535	1.789	5	40	CDBB	
CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	46901273	GDWCZBNXRFVQCF-MNOVXSKESA-N	292.291	1.429	5	40	CDBB	
CN(CCO)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	37862145	HQLMPBAQPVJICK-UHFFFAOYSA-N	258.661	1.313	5	40	CDBB	
Cc1cc(Cc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c(=O)[nH]n1	199773479	NEBXXOZWBBWMTN-UHFFFAOYSA-N	290.235	1.486	5	40	CDBB	
O=C(O)[C@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-]	52099741	NORVPJAWZNMMMZ-SECBINFHSA-N	254.217	1.787	5	40	CDBB	
Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)no1	3502801	HETUTYPUEHXWFQ-UHFFFAOYSA-N	295.207	1.280	5	40	CDBB	
CC(=O)Nc1cc(NCCN(C)C)c(F)cc1[N+](=O)[O-]	12990162	CTGFFBIKZBHELV-UHFFFAOYSA-N	284.291	1.666	5	40	CDBB	
C[C@H]1C[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C(=O)O1	39983358	BNYDYHYCISOEPY-WKEGUHRASA-N	255.201	1.817	5	40	CDBB	
C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	89895251	KVGOXCQMOASCKG-KOLCDFICSA-N	293.323	1.553	5	40	CDBB	
COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2C)C1	45953587	WIERXIRNWVQVSN-SECBINFHSA-N	278.264	1.429	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(O)cc1F	97236967	DRBIOLLBTXVJNK-UHFFFAOYSA-N	294.242	1.665	5	40	CDBB	
COc1ccc(/C=C2/SC(=N)NC2=O)cc1[N+](=O)[O-]	4538898	NEISSKPZSLYZED-WEVVVXLNSA-N	279.277	1.742	5	40	CDBB	
CSC1=NCCN1C(=O)c1ccccc1[N+](=O)[O-]	4119734	HMRFQCROLKWWMX-UHFFFAOYSA-N	265.294	1.770	5	40	CDBB	
O=C(NCCCn1cccn1)c1ccc([N+](=O)[O-])cc1	30170940	RXFCBMIRHKVICC-UHFFFAOYSA-N	274.280	1.611	5	40	CDBB	
CCCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	20106761	ZPDYVNIVZMCTCM-UHFFFAOYSA-N	272.326	1.814	5	40	CDBB	
O=C1C=CC(=O)N1c1cc([N+](=O)[O-])ccc1Cl	3276904	CMNHAZNLUBZQHO-UHFFFAOYSA-N	252.613	1.678	5	40	CDBB	
Cc1cc(C)cc(OCCn2cnc([N+](=O)[O-])n2)c1	48603146	CINIFDNOKHFWTA-UHFFFAOYSA-N	262.269	1.882	5	40	CDBB	
C[C@H]1C[C@H](C)CN(c2nc(N)ncc2[N+](=O)[O-])C1	5445320	DEIWIATZQFDXKZ-YUMQZZPRSA-N	251.290	1.449	5	40	CDBB	
CC(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1	4687559	JYXQMSOWVBGHDQ-UHFFFAOYSA-N	251.286	1.779	5	40	CDBB	
CNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1	71894528	ANIFKQUYHJQJJY-JTQLQIEISA-N	263.297	1.557	5	40	CDBB	
CC(C)(C)[S@@](=O)CCNC(=O)c1ccccc1[N+](=O)[O-]	79001860	KEBXFEHVNULNOY-HXUWFJFHSA-N	298.364	1.872	5	40	CDBB	
C[C@H](CO)NCCNc1ccc([N+](=O)[O-])c2cccnc12	5043950	QBSBAFLTLGJTDU-SNVBAGLBSA-N	290.323	1.525	5	40	CDBB	
Cc1ccc(NC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	1753774	WJCRPVCBEXCPKE-UHFFFAOYSA-N	278.312	1.683	5	40	CDBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCOCC1	59459369	GKLCOZRKVRXOGX-UHFFFAOYSA-N	282.321	1.546	5	40	CDBB	
O=[N+]([O-])c1ccc(CCN2CCC[C@H](O)C2)cc1	4962041	OQPRWCQYEWZSPX-ZDUSSCGKSA-N	250.298	1.594	5	40	CDBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)OC	29218749	ZGKDJYMXWXMUHP-UHFFFAOYSA-N	254.242	1.440	5	40	CDBB	
O=[N+]([O-])c1ccc(Nc2cnn(CCO)c2)c(F)c1	48962961	GRDBMEHXGMWYDE-UHFFFAOYSA-N	266.232	1.666	5	40	CDBB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])o1	6509263	FHOKFVAYOYZYJM-JTQLQIEISA-N	295.251	1.379	5	40	CDBB	
Cc1nnc(Sc2ccc([N+](=O)[O-])cc2)n1N	70462261	FAOJSNMFDLEMCC-UHFFFAOYSA-N	251.271	1.360	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCNc2ccccn2)nc1	36874853	CECNMTSGNWVNDU-UHFFFAOYSA-N	259.269	1.909	5	40	CDBB	
Nc1nc(SCc2ccccc2[N+](=O)[O-])n[nH]1	6605875	PWPKPNSHRADCKS-UHFFFAOYSA-N	251.271	1.587	5	40	CDBB	
CC1([N+](=O)[O-])COP(=O)(NCc2cccnc2)OC1	13283168	JPVHETZOSSMSIE-UHFFFAOYSA-N	287.212	1.362	5	40	CDBB	
O=C1CC(=O)SC(c2ccc([N+](=O)[O-])cc2)=N1	546614	GBDCOZLJUNQUSA-UHFFFAOYSA-N	250.235	1.532	5	40	CDBB	
NC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1	25333045	FFCCSOWQSNXBPR-UHFFFAOYSA-N	299.286	1.624	5	40	CDBB	
COc1ccc(C(=O)N2CCOC[C@H]2C)cc1[N+](=O)[O-]	25139848	ZBNNZYSRFXYJJL-SECBINFHSA-N	280.280	1.464	5	40	CDBB	
Cc1noc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)n1	71847389	WQJUSQLYJHAHLG-UHFFFAOYSA-N	280.215	1.355	5	40	CDBB	
Cc1c[nH]/c(=N\C(=O)c2cccc([N+](=O)[O-])c2O)[nH]1	95429554	XSONIJJWDYEIPP-UHFFFAOYSA-N	262.225	1.006	5	40	CDBB	
COC(=O)CCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1	83688636	XLVSKBRCNMJPMU-UHFFFAOYSA-N	293.279	1.731	5	40	CDBB	
CONC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	48913073	BPUKHSKGZBJUKV-UHFFFAOYSA-N	276.252	1.287	5	40	CDBB	
O=C(NCC1(CO)CC1)c1ccc([N+](=O)[O-])cc1F	96474214	HKZBOOLMAHQUNS-UHFFFAOYSA-N	268.244	1.236	5	40	CDBB	
Cc1c(NC(=O)c2cnn(C)c2)cccc1[N+](=O)[O-]	14798657	AIAWFGQWIYZPEE-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccco1	63719	VHVXXVFXSZSNKZ-UHFFFAOYSA-N	276.248	1.883	5	40	CDBB	
COC(=O)c1cc(C(=O)N(C)C)cc([N+](=O)[O-])c1	60851	FNYAWWIWBIZMRK-UHFFFAOYSA-N	252.226	1.083	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCCO2)n1	2780359	FJVAGSLTILDUFD-WPRPVWTQSA-N	282.300	1.109	5	40	CDBB	
O=c1c2ccccc2nnn1-c1cccc([N+](=O)[O-])c1	1714927	NFFZAXACVDOLIL-UHFFFAOYSA-N	268.232	1.689	5	40	CDBB	
Cc1nn([C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-]	18129219	YPJCFGLSLLYLPM-NGZCFLSTSA-N	296.327	1.297	5	40	CDBB	
O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@H](O)CO	84562516	WNWUQYBNOBNMDI-CYBMUJFWSA-N	289.287	1.994	5	40	CDBB	
O=C(O)Cn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	408716361	LWZSPYHJLGCJTK-UHFFFAOYSA-N	283.162	1.207	5	40	CDBB	
Cc1nn(C)c(Sc2nnnn2C(C)C)c1[N+](=O)[O-]	78727445	CYEDGQKXIXHODW-UHFFFAOYSA-N	283.317	1.355	5	40	CDBB	
Cc1n[nH]cc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	95940202	YMBQKFLVDWPKBI-UHFFFAOYSA-N	296.308	1.568	5	40	CDBB	
O=C(OC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1	1599550	IYGVERJUFJHECS-LLVKDONJSA-N	251.238	1.931	5	40	CDBB	
O=C(O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21	4207292	HSELHMHPLWKBID-UHFFFAOYSA-N	266.209	1.368	5	40	CDBB	
Cc1c(NC(=O)C2=COCCO2)cccc1[N+](=O)[O-]	14239571	UCXPDIOJOADFPR-UHFFFAOYSA-N	264.237	1.730	5	40	CDBB	
C[C@H](CN(C)c1ccc(F)cc1[N+](=O)[O-])c1nnn[nH]1	95154293	SXUJLBGDACDBFW-SSDOTTSWSA-N	280.263	1.487	5	40	CDBB	
NC(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1	96011326	FCXQREIIRMNGGZ-SNVBAGLBSA-N	264.285	1.550	5	40	CDBB	
COc1cc(NC(=O)CN2CCCC2)ccc1[N+](=O)[O-]	408552342	MBOWZEFKYBGGJP-UHFFFAOYSA-N	279.296	1.638	5	40	CDBB	
COc1cc(N2CCC[C@@H](CO)C2)ccc1[N+](=O)[O-]	91355784	KLZBHGIOBJSYKD-SNVBAGLBSA-N	266.297	1.812	5	40	CDBB	
COC(=O)c1cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c1	1097977	HZRKEYWBQXIMCV-UHFFFAOYSA-N	280.280	1.910	5	40	CDBB	
CC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1C	1480418	CDPXNPNSPNMGCJ-UHFFFAOYSA-N	253.283	1.736	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccs2)n1	2767967	BGWDUBPHMPLASB-UHFFFAOYSA-N	266.282	1.320	5	40	CDBB	
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1	3304956	VYVHXHKVJTWDIP-YUMQZZPRSA-N	270.310	1.906	5	40	CDBB	
CCN(CC)c1cc(NCCO)c([N+](=O)[O-])c2nonc12	4311998	GPEPAOLXUJPKPQ-UHFFFAOYSA-N	295.299	1.381	5	40	CDBB	
COc1cc(N(C)CCn2cccn2)ccc1[N+](=O)[O-]	83861140	VBALQVNRYQSEIN-UHFFFAOYSA-N	276.296	1.936	5	40	CDBB	
Cn1ccnc1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	28293986	RCLOTVQACRXGEE-UHFFFAOYSA-N	276.208	1.468	5	40	CDBB	
COc1ccc(C(=O)/N=c2/sccn2C)cc1[N+](=O)[O-]	102842769	WRDIHIMYQDTETA-OUKQBFOZSA-N	293.304	1.745	5	40	CDBB	
Cc1csc(NC(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)n1	2792349	HJWJNQBNPXRVHM-SSDOTTSWSA-N	295.324	1.831	5	40	CDBB	
CC(C)Nc1c([N+](=O)[O-])nn(-c2cccc(Cl)c2)[n+]1[O-]	4924173	LEUSSLUMYCHRBA-UHFFFAOYSA-N	297.702	1.888	5	40	CDBB	
O=C1COc2cccnc2N1Cc1ccc([N+](=O)[O-])cc1	5394929	ZEWYBVISQAVFKM-UHFFFAOYSA-N	285.259	1.915	5	40	CDBB	
CN1CCN(c2cc(N)c(Cl)cc2[N+](=O)[O-])CC1	45891169	SMSXVNYCJBEUJN-UHFFFAOYSA-N	270.720	1.582	5	40	CDBB	
CCOC(=O)[C@@H](CC)Oc1ccc([N+](=O)[O-])c(N)n1	19419598	RZDDVOGZMNQYHQ-MRVPVSSYSA-N	269.257	1.293	5	40	CDBB	
O=c1c(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc1c32	3155930	HKNXJYVCBQHLBT-UHFFFAOYSA-N	272.172	1.405	5	40	CDBB	in-vivo
O=C(O)CCSc1ccc(C(=O)O)cc1[N+](=O)[O-]	127379	YUNDVTYALNIXNI-UHFFFAOYSA-N	271.250	1.860	5	40	CDBB	
Cc1ccccc1NC(=O)c1nn(C)cc1[N+](=O)[O-]	174850	JEJKQYCUXWAJIO-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
NC(=O)NCCCC(=O)OCc1ccc([N+](=O)[O-])cc1	7981849	SRIPOXKKMROEPH-UHFFFAOYSA-N	281.268	1.087	5	40	CDBB	
CN(C)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCCC1	47297921	NIQUDOVSXCLPFR-VXGBXAGGSA-N	283.372	1.422	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(CCCO)CC2)c(Cl)c1	58155483	OHOMILVAUAHCRP-UHFFFAOYSA-N	299.758	1.753	5	40	CDBB	
CN1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	19403799	WIHBBMZVICMMFL-UHFFFAOYSA-N	283.715	1.636	5	40	CDBB	
Cc1nc(CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cs1	72278848	MGCXPCYJQOZVMU-UHFFFAOYSA-N	295.324	1.663	5	40	CDBB	
C[C@H](SC[C@@H](O)CO)c1cccc([N+](=O)[O-])c1	95407575	DJPFJEDLYNVTKB-KWQFWETISA-N	257.311	1.742	5	40	CDBB	
CCN(C[C@@H](C)C(=O)OC)c1ncc(C)cc1[N+](=O)[O-]	95971890	SRCQHQHSRSOAPV-SNVBAGLBSA-N	281.312	1.934	5	40	CDBB	
CC(C)(NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(F)c(F)c1	75106213	PUMAJQYOGKZPBU-KCJUWKMLSA-N	284.262	1.981	5	40	CDBB	
COc1c(C)cnc(CN(C)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1C	65494083	PKIPUXAMPBCZMY-JQWIXIFHSA-N	293.323	1.331	5	40	CDBB	
CCOC[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-]	193821431	KJKANYLWWSAMBQ-SECBINFHSA-N	259.233	1.510	5	40	CDBB	
CCC(=O)N[C@@H](Cc1cc([N+](=O)[O-])ccc1OC)C(=O)O	5307296	PTBRNTULLWPCEU-JTQLQIEISA-N	296.279	1.125	5	40	CDBB	
CCCCOC(=O)c1c(C)c([N+](=O)[O-])c(C)[nH]c1=O	8856129	NSZBCBDQKDUTAG-UHFFFAOYSA-N	268.269	1.857	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C)CC1	78578629	UKSDJZMBQMZWJB-UHFFFAOYSA-N	293.323	1.884	5	40	CDBB	
O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccco2)nc1	12737247	BZQQOMKSXDCCKA-JTQLQIEISA-N	277.280	1.846	5	40	CDBB	
O=C(NC1CC1)c1ccsc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	69888828	UXVLDPAGMUVDNV-RKDXNWHRSA-N	295.320	1.244	5	40	CDBB	
COc1cc(N[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-]	195575392	BKCHQLGZLCAUTH-ONGXEEELSA-N	252.270	1.929	5	40	CDBB	
Cn1cnc2cc(N3CCCCC3)c([N+](=O)[O-])cc2c1=O	5373511	PBWBBNVNQGUAQS-UHFFFAOYSA-N	288.307	1.832	5	40	CDBB	
CC(C)CCC(CC[N+](C)(C)C)(C(=O)O)C(=O)O	1760361	KBBUBKRMSIRBIP-UHFFFAOYSA-O	260.354	1.675	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccccc2)CC1	5504379	JSIRDHVPZFCSIB-UHFFFAOYSA-N	287.323	1.655	5	40	CDBB	
CCOC(=O)COc1ccc([N+](=O)[O-])cc1C=O	8227848	DXUFJURFUFMTBG-UHFFFAOYSA-N	253.210	1.349	5	40	CDBB	
CCN(CCC(N)=O)Cc1ccccc1[N+](=O)[O-]	97679532	XNRLIJNGVJXBFQ-UHFFFAOYSA-N	251.286	1.292	5	40	CDBB	
O=C1c2ccccc2C(=O)N1CCn1ccc([N+](=O)[O-])n1	71978601	KAGPWRFUPZWOQR-UHFFFAOYSA-N	286.247	1.088	5	40	CDBB	
CCOC(=N)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	12359194	ISXAAXBRVRJERI-UHFFFAOYSA-N	269.213	1.896	5	40	CDBB	
CC(C)NC(=O)NCCNc1ccccc1[N+](=O)[O-]	32862596	JNPSYLASIWVOSH-UHFFFAOYSA-N	266.301	1.714	5	40	CDBB	
O=C(NCCN1CCCCC1)c1ccccc1[N+](=O)[O-]	27770	JYUGQEGFWUCBFX-UHFFFAOYSA-N	277.324	1.811	5	40	CDBB	
Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1	2761680	CXFRSXAMDRVQCX-UHFFFAOYSA-N	260.253	1.738	5	40	CDBB	
COc1nc(N2C[C@H](C)C[C@@H](C)C2)nc(N)c1[N+](=O)[O-]	4140242	IHDBJGICRDQWMO-HTQZYQBOSA-N	281.316	1.458	5	40	CDBB	
Cn1cnc2c(N3CCCCC3)ncc([N+](=O)[O-])c21	25075009	AWXCQXWCWOKUNL-UHFFFAOYSA-N	261.285	1.867	5	40	CDBB	
CCOCCn1cc([N+](=O)[O-])cc(Br)c1=O	96007450	XWDYYQDHOGLGBP-UHFFFAOYSA-N	291.101	1.556	5	40	CDBB	
Cc1nc2ncccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1	61966028	CINSYSYFVFOCNR-UHFFFAOYSA-N	282.259	1.997	5	40	CDBB	
COc1ccc(Sc2nnc(C)n2N)c([N+](=O)[O-])c1	70462249	UHAHHSKHOXZTKA-UHFFFAOYSA-N	281.297	1.368	5	40	CDBB	
NC(=O)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	40542662	BRXGEWVTDCMGIJ-UHFFFAOYSA-N	291.307	1.322	5	40	CDBB	
O=C1NC(C(=O)O)=C[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1	5517564	ITZYTCUEDSFOBR-MRVPVSSYSA-N	297.654	1.571	5	40	CDBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CCO	69517055	ODFAUOURUDMIEU-UHFFFAOYSA-N	268.313	1.806	5	40	CDBB	
O=C1C[C@@H](C(=O)O)[C@H](c2ccccc2[N+](=O)[O-])O1	85394864	PNYFBUUZSWWNOO-XCBNKYQSSA-N	251.194	1.284	5	40	CDBB	
Cc1cn(Cc2ccccc2)c(=O)c([N+](=O)[O-])c1O	225738515	OGZDJHHISXQGNN-UHFFFAOYSA-N	260.249	1.819	5	40	CDBB	
CCOC(=O)c1ccc(N2CCCC2=O)cc1[N+](=O)[O-]	199818545	PGYIQGGWRQGWSF-UHFFFAOYSA-N	278.264	1.898	5	40	CDBB	
Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)no1	2781072	OWBZPHADJPIFNI-UHFFFAOYSA-N	265.229	1.035	5	40	CDBB	
CCONC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	10893247	TZAKQBHTQYBHMW-UHFFFAOYSA-N	293.323	1.879	5	40	CDBB	
Cc1cc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])n(C(C)(C)C)n1	45784123	ACPGHGZAXFJKLK-DTWKUNHWSA-N	266.301	1.550	5	40	CDBB	
O=c1ccccn1Cc1cc([N+](=O)[O-])cc2c1OCOC2	12764101	FCKGNZQHTVROOQ-UHFFFAOYSA-N	288.259	1.671	5	40	CDBB	
COC(=O)CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	2534605	NEFKKRWAGJOLKD-UHFFFAOYSA-N	270.216	1.626	5	40	CDBB	
CCN(CC)CCn1cc([N+](=O)[O-])cc(C)c1=O	96778504	UPRAOOFNWZNLCQ-UHFFFAOYSA-N	253.302	1.407	5	40	CDBB	
CCOC(=O)[C@@H]1CS[C@@H](c2ccccc2[N+](=O)[O-])N1	98072896	YTOUCUNGCSGZFG-ONGXEEELSA-N	282.321	1.862	5	40	CDBB	
Cc1cnc(N(C)[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1	96449411	BQNGEUCJKYRLJD-LLVKDONJSA-N	264.329	1.829	5	40	CDBB	
NC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1	97375146	JQUUSPNPBYIGSU-OLZOCXBDSA-N	277.324	1.729	5	40	CDBB	
CCOc1ccccc1[C@@H]1NC(=O)CC[C@@H]1[N+](=O)[O-]	90869	QCTXZKINYPLXNX-GWCFXTLKSA-N	264.281	1.682	5	40	CDBB	
CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	10037750	PCAACFIKQWGVGL-UHFFFAOYSA-N	263.297	1.557	5	40	CDBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[C@@H]1CCCO1	7150342	VGQGSISDRCAWIM-QMMMGPOBSA-N	276.248	1.370	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cn[nH]c2)s1	90230760	NRMRQMGZGVGTFR-UHFFFAOYSA-N	274.283	1.180	5	40	CDBB	
Cc1cc(NCC2(O)CCOCC2)ccc1[N+](=O)[O-]	72293768	JBTFBLIEBWAZSF-UHFFFAOYSA-N	266.297	1.857	5	40	CDBB	
Cc1ccn(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1	36611188	MIFUVDDPVVVUCS-UHFFFAOYSA-N	290.279	1.834	5	40	CDBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1	71788269	QYLKTBGZGZGWHP-NSHDSACASA-N	250.254	1.390	5	40	CDBB	
CC[N+](C)(CC)CCOC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23	5352049	VAWLLNDWJKBKHF-ITGHMWBKSA-N	296.387	1.214	5	40	CDBB	
Cc1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1C	19328054	GSCIVAOVKYAQNV-UHFFFAOYSA-N	259.377	1.312	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCCC(=O)O	33421257	IESNZOWOOLFOEW-UHFFFAOYSA-N	282.252	1.797	5	40	CDBB	
O=C(O)CN1C(=O)c2cccc3c([N+](=O)[O-])ccc1c23	41124571	UYWDEECGLDKVSN-UHFFFAOYSA-N	272.216	1.793	5	40	CDBB	
CCOCCCNC(=O)c1ccccc1[N+](=O)[O-]	2805344	YZWLCCJWOREOPB-UHFFFAOYSA-N	252.270	1.751	5	40	CDBB	
Cc1c(CCO)sc[n+]1Cc1ccccc1[N+](=O)[O-]	1703841	WAILYTOKQIBJLU-UHFFFAOYSA-N	279.341	1.835	5	40	CDBB	
CC(C)[C@@]1(C)NC(c2ccccc2[N+](=O)[O-])=NC1=O	24718241	QZPSLIGHQNEJTG-CYBMUJFWSA-N	261.281	1.886	5	40	CDBB	
CCOC(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4017054	SNFSEYHQQBABCP-UHFFFAOYSA-N	269.213	1.478	5	40	CDBB	
CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	4524552	KRCQDAJGRNYKCP-UHFFFAOYSA-N	253.214	1.561	5	40	CDBB	
CC(C)[C@H](Nc1ccc2nonc2c1[N+](=O)[O-])C(=O)O	6719639	TVVSDBQXDYCWSO-QMMMGPOBSA-N	280.240	1.652	5	40	CDBB	
Cn1cc2c(NCCc3cccc([N+](=O)[O-])c3)ncnc2n1	92900123	JTKZCEHNHSIUII-UHFFFAOYSA-N	298.306	1.926	5	40	CDBB	
O=C(NCCc1ccc[nH]1)c1ccc([N+](=O)[O-])cc1O	97109274	PZANDBAEDMYJFA-UHFFFAOYSA-N	275.264	1.601	5	40	CDBB	
CCc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2O)on1	96481515	BPGZZBNHKILDBG-UHFFFAOYSA-N	291.263	1.781	5	40	CDBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCCC2)c1	20047799	IUULHMJUHHQWIP-UHFFFAOYSA-N	284.337	1.911	5	40	CDBB	
Cc1csc(NC(=O)c2c([N+](=O)[O-])cnn2C)n1	2764199	GEVLCKBIRMONFH-UHFFFAOYSA-N	267.270	1.346	5	40	CDBB	
Cc1c(CN2C[C@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-]	106655596	GNVYTMPRYUWXIM-ZWNOBZJWSA-N	291.351	1.989	5	40	CDBB	
O=C(NCCNc1ccncc1[N+](=O)[O-])c1ccco1	58193427	BFPYNYPAMFEAFD-UHFFFAOYSA-N	276.252	1.425	5	40	CDBB	
CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	58421736	UUHXUTZNZIYIDA-BDAKNGLRSA-N	252.274	1.143	5	40	CDBB	
COc1c(C=O)c([N+](=O)[O-])c2c(c1OC)OCO2	15085802	IUMQVPYANQNOMT-UHFFFAOYSA-N	255.182	1.153	5	40	CDBB	
Cn1nncc1CNc1nc2ccc([N+](=O)[O-])cc2s1	97094799	ONWOZDZNZRYJHA-UHFFFAOYSA-N	290.308	1.945	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	5027854	UTHWUWYTBDEADO-XCCSTKFXSA-N	298.298	1.902	5	40	CDBB	
COC(=O)/C=C(/Nc1ccc([N+](=O)[O-])cc1)C(=O)OC	100380738	CGQGMMOPLVKRTB-JXMROGBWSA-N	280.236	1.237	5	40	CDBB	
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	37183540	XSQOHEZHSHGMRJ-SSDOTTSWSA-N	250.254	1.829	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21	2778498	JNXGZRRADLLRER-UHFFFAOYSA-N	286.291	1.771	5	40	CDBB	
O=C(Nc1nc(C2CC2)cs1)[C@H]1C[C@H]1[N+](=O)[O-]	44487552	VOMZNOZRDNTUPM-POYBYMJQSA-N	253.283	1.624	5	40	CDBB	
CN1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1	58434924	QKZLNIXEDGXHOQ-SNVBAGLBSA-N	269.276	1.476	5	40	CDBB	
CCC(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	10745251	PMTVDOUOACVNBU-QMMMGPOBSA-N	266.253	1.875	5	40	CDBB	
C[C@@H](N(C)C(=O)Cn1cnc([N+](=O)[O-])n1)C(C)(C)C	48771777	PHBDHRMBFDVGTG-MRVPVSSYSA-N	269.305	1.079	5	40	CDBB	
CCn1cc2c(=O)nc(N)nc-2c2cc3c(cc21)OCO3	94993123	MNBNHZTYIJQRMH-UHFFFAOYSA-N	284.275	1.227	5	40	CDBB	
CN(C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	5508981	RSULQWMDGJNNAS-UHFFFAOYSA-N	285.731	1.930	5	40	CDBB	
CCN1CCC[C@H]1CNc1ncccc1[N+](=O)[O-]	21790599	AWHJHOOTFXYXFL-JTQLQIEISA-N	250.302	1.886	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3C=C[C@H]2C3)cc1	104007467	YAXBZNUOEWMQDC-ONGXEEELSA-N	280.305	1.544	5	40	CDBB	
CC[C@H]1CN1P1(=O)OCC(CC)([N+](=O)[O-])CO1	4990823	RGGODSWNXJVWQV-YWDFOOFHSA-N	264.218	1.661	5	40	CDBB	
O=C(CSCCO)Nc1ccccc1[N+](=O)[O-]	35611671	FFHLNBAAWHVMOL-UHFFFAOYSA-N	256.283	1.259	5	40	CDBB	
Cc1cc(NC(=O)COc2cccnc2[N+](=O)[O-])no1	2619438	XXJGZQNURUEVGR-UHFFFAOYSA-N	278.224	1.304	5	40	CDBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC1CCCCC1	3271059	XXNLVMOKZPZCGM-UHFFFAOYSA-N	296.279	1.794	5	40	CDBB	
O=[N+]([O-])c1cccnc1NC[C@H](CO)Cc1ccco1	12888783	SLERDLXSZXQPHJ-SNVBAGLBSA-N	277.280	1.846	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(c3nccs3)CC2)nc1	14018496	UBEOMUXWQZMHJT-UHFFFAOYSA-N	291.336	1.773	5	40	CDBB	
Nc1nc(Nc2ccc(F)c(F)c2)ncc1[N+](=O)[O-]	56908502	JADRVJUZONAVPL-UHFFFAOYSA-N	267.195	1.989	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CCO)C1	76092011	YCBYIMXBBDHNTD-JTQLQIEISA-N	279.296	1.831	5	40	CDBB	
CC(=O)c1ccc(NC2=C([N+](=O)[O-])CS(=O)(=O)C2)cc1	5260852	VMZNTCAEZFTIEI-UHFFFAOYSA-N	296.304	1.218	5	40	CDBB	
Nc1ncnc(Oc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	4059606	SXHJLLGLQHZWDA-UHFFFAOYSA-N	277.196	1.668	5	40	CDBB	
C[C@H]([N+](=O)[O-])[C@]1(O)C(=O)c2cccc3cccc1c23	1723085	MVCYOXRLSBOWQE-RMLUDKJBSA-N	257.245	1.889	5	40	CDBB	
COC[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	79013506	RCGSAKIFLXJSTE-ZDUSSCGKSA-N	278.308	1.775	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccn1	555158	WYRUXQIBTDNKEP-UHFFFAOYSA-N	271.276	1.849	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](O)C1	35115093	HQPLNILCTYWFHA-LLVKDONJSA-N	265.269	1.583	5	40	CDBB	
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	100171990	VYHCUDLEIGISHF-FIQHERPVSA-N	286.243	1.038	5	40	CDBB	
Nc1ncnc(Sc2nc3ccccc3[nH]2)c1[N+](=O)[O-]	3912721	ZVAQBVPOAITXLA-UHFFFAOYSA-N	288.292	1.995	5	40	CDBB	
Cn1ncnc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	89741204	XYSIUUJUCBUQTF-UHFFFAOYSA-N	281.659	1.629	5	40	CDBB	
COc1c(C(=O)N2CCN(C)CC2)cc(C)cc1[N+](=O)[O-]	72206669	YVCAXMXTZKPSJC-UHFFFAOYSA-N	293.323	1.299	5	40	CDBB	
O=C(O)C[C@@H](n1cc([N+](=O)[O-])cn1)C(F)(F)F	685936719	SWMDAJQFCOQARC-RXMQYKEDSA-N	253.136	1.369	5	40	CDBB	
O=[N+]([O-])c1ccc([C@@H](O)CNc2ncccn2)cc1	44866706	AZZZVHHGLRQVKW-NSHDSACASA-N	260.253	1.530	5	40	CDBB	
CC(C)C[C@@H](O)CNC(=O)Cc1cccc([N+](=O)[O-])c1	96475392	OQKWSSCEFJNRQT-CYBMUJFWSA-N	280.324	1.661	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccccc2)n1	4742743	RLIPMRGVUSGKCL-UHFFFAOYSA-N	288.307	1.784	5	40	CDBB	
O=[N+]([O-])c1cnn(Cc2nc(Cc3ccccc3)no2)c1	32924003	BHMYJTYDGIOKNI-UHFFFAOYSA-N	285.263	1.813	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCCNc1ccccn1	24657385	OYCCULGUVZFZSG-UHFFFAOYSA-N	259.269	1.909	5	40	CDBB	
COc1ccc(F)cc1Cn1cc([N+](=O)[O-])ccc1=O	12998852	AGNCTKUJAUTXOO-UHFFFAOYSA-N	278.239	1.953	5	40	CDBB	
CCCCNC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1	5709841	UWDGBFCYQIXHCT-UHFFFAOYSA-N	295.295	1.250	5	40	CDBB	
Cc1ccc2[nH]c3nc4nnc(S)n4nc3c2c1	5602580	PRUOUYBWISMUNV-UHFFFAOYSA-N	256.294	1.751	5	40	CDBB	
COC(CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1)OC	45222102	UQNRJKYRQSXMCB-UHFFFAOYSA-N	283.284	1.677	5	40	CDBB	
COc1ccc(C(=O)Cn2cc([N+](=O)[O-])nc2C)cc1	84202	NHGFSXWTQKKMFZ-UHFFFAOYSA-N	275.264	1.991	5	40	CDBB	
Cc1n[nH]c(=S)n1NCc1ccc([N+](=O)[O-])cc1	7601154	JZGUQZSIYXLIHX-UHFFFAOYSA-N	265.298	1.901	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](O)C1	35115091	HQPLNILCTYWFHA-NSHDSACASA-N	265.269	1.583	5	40	CDBB	
CON(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	4037162	CETIQPHMTQYOPD-UHFFFAOYSA-N	280.689	1.430	5	40	CDBB	
Cn1ncnc1NC(=O)CCc1cccc([N+](=O)[O-])c1	96475323	DWKMYFNQVPWCBI-UHFFFAOYSA-N	275.268	1.295	5	40	CDBB	
O=C(COc1cccnc1[N+](=O)[O-])NCc1ccccc1	12684086	DDPNNJBRKUKGRY-UHFFFAOYSA-N	287.275	1.685	5	40	CDBB	
CC[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1	12528000	LAYVTPFFXMQLKD-JTQLQIEISA-N	279.296	1.309	5	40	CDBB	
CNC(=O)[C@H](Nc1cc(F)ccc1[N+](=O)[O-])C(C)C	302823712	VHMAGGZHQSTJEU-LLVKDONJSA-N	269.276	1.916	5	40	CDBB	
O=C(OCCc1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-]	78986210	UMKZTGPGFSWLQT-GHMZBOCLSA-N	253.229	1.577	5	40	CDBB	
CC(C)[C@H](C(=O)Nn1cnnc1)c1ccc([N+](=O)[O-])cc1	16807314	FAEXSHTUGLCDOP-LBPRGKRZSA-N	289.295	1.696	5	40	CDBB	
NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1F	396043874	WJWAEAUQYMXZRJ-UHFFFAOYSA-N	299.077	1.144	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1Sc1ncccc1C(=O)O	1576212	XOJWATFSVHPHMU-UHFFFAOYSA-N	280.265	1.573	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(P(=O)(O)O)cc1Cl	1870309	FVDWRLFWHBPHOC-UHFFFAOYSA-N	251.562	1.360	5	40	CDBB	
CCNC(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1	3297990	FANSRSNCNSJJCW-UHFFFAOYSA-N	266.253	1.196	5	40	CDBB	
O=C(CN1CCSCC1)Nc1ccc([N+](=O)[O-])cc1	69807653	QNGXMNUKIPTTFA-UHFFFAOYSA-N	281.337	1.582	5	40	CDBB	
Cc1nn(C)c(NC[C@H](c2ccco2)N(C)C)c1[N+](=O)[O-]	72274827	HNZNDCCXAWOGBO-SNVBAGLBSA-N	293.327	1.945	5	40	CDBB	
Cc1cnc(N(C)C[C@H](C)c2nnn[nH]2)c([N+](=O)[O-])c1	129841009	AKLLFRSMRAUEGU-QMMMGPOBSA-N	277.288	1.051	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(N3CCOCC3)ccc2c1	78745062	UDPPOHORCROCQM-UHFFFAOYSA-N	259.265	1.980	5	40	CDBB	
Cc1cnc(N(C)C2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1	79047799	JEZZUFDGVIOBLE-UHFFFAOYSA-N	299.352	1.312	5	40	CDBB	
CC(C)(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	4824636	TXMJURUNBSYXRI-UHFFFAOYSA-N	269.213	1.778	5	40	CDBB	
O=C(NC1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2568811	VSHHTALKRBFSTH-UHFFFAOYSA-N	251.198	1.395	5	40	CDBB	
Cc1cn(S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)cn1	5235068	QPYDTZXARQWYEX-UHFFFAOYSA-N	295.320	1.954	5	40	CDBB	
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	9470966	ITMYYHYHLREBAX-UHFFFAOYSA-N	285.325	1.421	5	40	CDBB	
O=C(NCc1ccc(Cl)cc1)[C@H]1C[C@@H]1[N+](=O)[O-]	32931951	CPSBDKKLZGMSPM-UWVGGRQHSA-N	254.673	1.621	5	40	CDBB	
C[C@H]([C@H](c1ccccc1)N1CCOCC1)[N+](=O)[O-]	39379293	DZORMAWKUNFJHG-DGCLKSJQSA-N	250.298	1.725	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(C(N)=O)o1	40545038	TWJDWGTWRJGSJF-UHFFFAOYSA-N	262.221	1.962	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2nc(Cn3cccn3)n[nH]2)c1	40176251	MBZQVPSVXYKGPS-UHFFFAOYSA-N	270.252	1.625	5	40	CDBB	
COC(=O)c1cc(Nc2cnn(C)c2)ccc1[N+](=O)[O-]	92620607	UKZMJMITDTUNAH-UHFFFAOYSA-N	276.252	1.859	5	40	CDBB	
NC(=O)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1	95360912	WBWKAZOPPCPDEN-SECBINFHSA-N	269.326	1.354	5	40	CDBB	
Cc1cc(NCCC(=O)N2CCOCC2)ccc1[N+](=O)[O-]	159319832	PHVAFJZLXKNHDW-UHFFFAOYSA-N	293.323	1.564	5	40	CDBB	
Nc1c(C(=O)O)c2nc3c(CO)cccc3oc-2cc1=O	4804233	BHUPIKYIGMWGAD-UHFFFAOYSA-N	286.243	1.066	5	40	CDBB	
COC(=O)c1ccc(Cl)c(Cn2cnc([N+](=O)[O-])n2)c1	96004639	KTLZXCFNIFDCKX-UHFFFAOYSA-N	296.670	1.675	5	40	CDBB	
COC(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl	195574041	WYCSSWZQPJGHMC-VIFPVBQESA-N	285.687	1.785	5	40	CDBB	
Cc1ccnc(I)c1[N+](=O)[O-]	98180689	VOPBKTIXTVCOCR-UHFFFAOYSA-N	264.022	1.903	5	40	CDBB	
Cc1nn([C@H](C)c2nnc(N)s2)cc1[N+](=O)[O-]	675031030	DNTAKEHYHSXDEI-RXMQYKEDSA-N	254.275	1.143	5	40	CDBB	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]12	5347341	ANESJQQRIFXIQS-PWSUYJOCSA-N	262.265	1.821	5	40	CDBB	
COc1ccc(C(=O)O)c2c(=O)c3cccnc3[nH]c12	5503160	IPSZGNMMICLXDC-UHFFFAOYSA-N	270.244	1.783	5	40	CDBB	
COC[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	32765438	HTAOQPVBLCUZKD-ZETCQYMHSA-N	278.268	1.236	5	40	CDBB	
O=[N+]([O-])c1cccc(C2=NN3C=NSC3=NC2)c1	1468241	HRSGIEQDGUCWJY-UHFFFAOYSA-N	261.266	1.661	5	40	CDBB	
Cc1nn(CC(=O)Nc2ccon2)c(C)c1[N+](=O)[O-]	8987389	SJOFEPNHJQPQHT-UHFFFAOYSA-N	265.229	1.035	5	40	CDBB	
Cn1cnnc1SCC(=O)c1cccc([N+](=O)[O-])c1	4933102	PNDIEEYUZXSNRU-UHFFFAOYSA-N	278.293	1.698	5	40	CDBB	
O=[N+]([O-])c1cccc(F)c1CSC[C@@H](O)CO	89768126	HYCTZEBIXKNTKD-ZETCQYMHSA-N	261.274	1.320	5	40	CDBB	
COC(=O)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl	195574042	WYCSSWZQPJGHMC-SECBINFHSA-N	285.687	1.785	5	40	CDBB	
CN(N)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	5913473	YHMPPBDUKOFCAF-UHFFFAOYSA-N	280.162	1.832	5	40	CDBB	
Nc1nc2cc([N+](=O)[O-])c(N3CCOCC3)cc2s1	20154702	BGUCHFKPWXXIJL-UHFFFAOYSA-N	280.309	1.623	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)N1CCOCC1	31458558	JVJUTVHDNHTDHJ-UHFFFAOYSA-N	294.307	1.449	5	40	CDBB	
CC1([N+](=O)[O-])COP(=O)(NCc2ccccc2)OC1	1667925	NINBFZSOXNZQLH-UHFFFAOYSA-N	286.224	1.967	5	40	CDBB	
O=[N+]([O-])c1cccc(-n2nnnc2CN2CCCC2)c1	4130393	PHKBIERUUCENOH-UHFFFAOYSA-N	274.284	1.166	5	40	CDBB	
O=C(Cn1cc(Cl)cn1)Nc1cc([N+](=O)[O-])ccc1O	35939883	CFKJVGRBROAHPG-UHFFFAOYSA-N	296.670	1.789	5	40	CDBB	
Cc1n[nH]c(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])n1	70462358	ZOTZLHXYTWFMES-UHFFFAOYSA-N	279.281	1.271	5	40	CDBB	
CCNC(=O)N1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1	95429636	NATQRGZTABUSGJ-UHFFFAOYSA-N	293.327	1.150	5	40	CDBB	
CCS(=O)(=O)c1c[nH]nc1-c1cccc([N+](=O)[O-])c1	96510073	USPJDUBKBTUFQL-UHFFFAOYSA-N	281.293	1.779	5	40	CDBB	
Nc1nonc1-c1noc(Cc2ccc([N+](=O)[O-])cc2)n1	32734	BVDVMJCTKLQHOW-UHFFFAOYSA-N	288.223	1.201	5	40	CDBB	
O=C(NCc1ccccn1)c1n[nH]c2ccc([N+](=O)[O-])cc12	32152559	TXUDYFBTXSHVSM-UHFFFAOYSA-N	297.274	1.796	5	40	CDBB	
COc1ccc(NC(=S)NC(C)=O)c([N+](=O)[O-])c1	8555185	SSGUTFUXBYDBMJ-UHFFFAOYSA-N	269.282	1.436	5	40	CDBB	
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(O)CC1	23993313	NXYOSWIJHCBKKB-SNVBAGLBSA-N	293.323	1.379	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)c(S(=O)(=O)O)cc1onnc12	1848652	NLBIPCLXYJYOQP-UHFFFAOYSA-N	295.232	1.531	5	40	CDBB	
C[C@H](c1nc(-c2ccncc2)no1)n1cc([N+](=O)[O-])cn1	4754154	XRHRBKYFXQWVQJ-MRVPVSSYSA-N	286.251	1.846	5	40	CDBB	
O=[N+]([O-])c1cccc(CN2CCCC[C@H]2CO)c1	23115284	JBWHIBOYYSKOES-ZDUSSCGKSA-N	250.298	1.942	5	40	CDBB	
CCc1ccc(N2C(=O)[C@@H](C)NC2=S)cc1[N+](=O)[O-]	28961454	ORMGPPFJKZZMSJ-SSDOTTSWSA-N	279.321	1.767	5	40	CDBB	
O=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)N1	38205419	FZPQKUVQPLLUMY-XBXARRHUSA-N	267.628	1.429	5	40	CDBB	
COc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1C(N)=O	45957555	BOUUANALTIFLGG-UHFFFAOYSA-N	293.323	1.939	5	40	CDBB	
CC(C)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	192649105	QUKAPWMCUGIWMD-SECBINFHSA-N	272.326	1.918	5	40	CDBB	
COC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CCO1	93528492	NQGNNVKODYLLRQ-CYBMUJFWSA-N	280.324	1.750	5	40	CDBB	
CCc1nc(N)nc(N)c1-c1ccc([N+](=O)[O-])cc1	1588895	MABNISKVRMEKMS-UHFFFAOYSA-N	259.269	1.779	5	40	CDBB	in-vitro
O=C1[C@H]2CCCN2C(=O)N1c1ccccc1[N+](=O)[O-]	13565071	IJFGPJIHPPQRSE-SNVBAGLBSA-N	261.237	1.526	5	40	CDBB	
C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C	2780885	HOGQGMTZHUEBMF-ZETCQYMHSA-N	254.290	1.493	5	40	CDBB	
C[C@@]1(Cl)C(=O)NN=C1c1ccc([N+](=O)[O-])cc1	1701977	PKMIQRXXRIDMQR-JTQLQIEISA-N	253.645	1.426	5	40	CDBB	
CC(=O)O[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	2046400	IZCQFYTXKWWSMP-BYPYZUCNSA-N	250.465	1.565	5	40	CDBB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)N2CCN1CC2	100288388	WRUXFOWFTXBQRS-XFXZXTDPSA-N	259.265	1.094	5	40	CDBB	
C[C@H](C[S@@](C)=O)N(C)c1ccc([N+](=O)[O-])cn1	96011438	HZBKSLQETRTVRW-RBHXEPJQSA-N	257.315	1.193	5	40	CDBB	
C[S@@](=O)c1nncn1CCOc1ccc([N+](=O)[O-])cc1	71899918	YSFSSUHQLJSURJ-FQEVSTJZSA-N	296.308	1.003	5	40	CDBB	
CCn1nc(C)c(I)c1[N+](=O)[O-]	72339304	ZKAYBSJCLXDMGZ-UHFFFAOYSA-N	281.053	1.724	5	40	CDBB	
COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1	70462348	LOSNIUXZIXVOIL-UHFFFAOYSA-N	280.265	1.651	5	40	CDBB	
O=[N+]([O-])c1cnn(CCO)c1-c1ccccc1F	96527525	SLFPVKIACVRBMB-UHFFFAOYSA-N	251.217	1.590	5	40	CDBB	
COC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OC)n[nH]1	106679734	OWXPCPBDMMKISS-UHFFFAOYSA-N	277.236	1.780	5	40	CDBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCSCC1	40542169	SHYLSTIEBCHGNT-UHFFFAOYSA-N	252.295	1.784	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)Oc1ccccc1	1670441	UFAZASYMNCMYTC-UHFFFAOYSA-N	283.265	1.096	5	40	CDBB	
C[C@@H](O)[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-]	97232738	AETYJFGKKIGEDZ-YPMHNXCESA-N	292.335	1.899	5	40	CDBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccccc1	3234142	ITUNAXOTVKQNBR-UHFFFAOYSA-N	290.231	1.983	5	40	CDBB	
Cn1nnnc1SCc1c[nH]c2cc([N+](=O)[O-])ccc12	59472547	RYPKPUWMPIXIIS-UHFFFAOYSA-N	290.308	1.892	5	40	CDBB	
O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NC1CC1	3311080	QUQFOHJDZPBDTC-UHFFFAOYSA-N	297.698	1.257	5	40	CDBB	
CN(CCC(=O)O)C(=O)c1cccc([N+](=O)[O-])c1	37931283	GRECWGSGMCVYQR-UHFFFAOYSA-N	252.226	1.142	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H](C)O[C@H](C)C1	17920583	FGWZZRADXZHFBA-DTORHVGOSA-N	282.300	1.061	5	40	CDBB	
C[C@@H](CN1CCOCC1)Nc1ncccc1[N+](=O)[O-]	48289370	GZCZVORKJPSPJG-JTQLQIEISA-N	266.301	1.122	5	40	CDBB	
C[C@H]1C[C@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1	75609877	ULDDOCHOBKKJGN-JOYOIKCWSA-N	279.296	1.681	5	40	CDBB	
C[N+]1(CCC[N+]2(C)C[C@H]3CC=CC[C@H]3C2)CCOCC1	17301645	KXJRKGQOIVIEDP-JJTKIYQPSA-N	280.456	1.896	5	40	CDBB	
Cc1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1	7425114	BHWOEKZLMPWWHP-UHFFFAOYSA-N	267.266	1.337	5	40	CDBB	
NC(=O)c1cc[n+](CCOc2ccc([N+](=O)[O-])cc2)cc1	347497	ZAAXWPZGYHRHQK-UHFFFAOYSA-O	288.283	1.060	5	40	CDBB	
C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccccc1[N+](=O)[O-]	69772852	VVTHBEQTLIRGBN-PWSUYJOCSA-N	277.324	1.681	5	40	CDBB	
CCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	8393918	UAPCVAJWQCLEKG-UHFFFAOYSA-N	273.266	1.175	5	40	CDBB	
Cc1c(NC(=O)CN2CSCC2=O)cccc1[N+](=O)[O-]	8136978	CJLXSUKZJFRUTB-UHFFFAOYSA-N	295.320	1.375	5	40	CDBB	
COc1cc(N2CCC[C@H](O)C2)ccc1[N+](=O)[O-]	91356018	TWWSEXSJRRYTHW-JTQLQIEISA-N	252.270	1.565	5	40	CDBB	
COCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	49263125	HNGQIRODEFOBMH-UHFFFAOYSA-N	283.284	1.714	5	40	CDBB	
C[C@@H](CN(C)c1ccc(F)cc1[N+](=O)[O-])c1nnn[nH]1	95154291	SXUJLBGDACDBFW-ZETCQYMHSA-N	280.263	1.487	5	40	CDBB	
CC[C@@](C)(NCc1ccc([N+](=O)[O-])cc1F)C(N)=O	89941961	QFECYLMSMJPCAZ-GFCCVEGCSA-N	269.276	1.478	5	40	CDBB	
CN(C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	10111494	ASNPOJMMQWPJMK-UHFFFAOYSA-N	271.704	1.540	5	40	CDBB	
NC(=O)N[C@@H](CC(=O)O)c1cc([N+](=O)[O-])ccc1Cl	4686954	DVQDCCVDTUJHTP-QMMMGPOBSA-N	287.659	1.432	5	40	CDBB	
CC[C@@H]([C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96519464	HBWFQQDYJVAFFX-WDEREUQCSA-N	273.310	1.451	5	40	CDBB	
COC(=O)c1sccc1Cn1c([N+](=O)[O-])cnc1C	96465951	QBYYBLOOIQHFSP-UHFFFAOYSA-N	281.293	1.996	5	40	CDBB	
C[C@H]1C[C@@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1	75609873	ULDDOCHOBKKJGN-CABZTGNLSA-N	279.296	1.681	5	40	CDBB	
COC(=O)C(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1	36764091	LOVKWFIIUKGUSN-UHFFFAOYSA-N	280.280	1.205	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C=C[C@H](CO)C1	72306170	NNUYCRHWDWVRJG-GXSJLCMTSA-N	277.280	1.653	5	40	CDBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCNCC1	35099104	AOHBKJMNWNIZLB-UHFFFAOYSA-N	283.715	1.684	5	40	CDBB	
CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5830707	RCNDVIGMHZSIEV-SSDOTTSWSA-N	284.224	1.833	5	40	CDBB	
COc1cc(Br)c([N+](=O)[O-])nc1[N+](=O)[O-]	2023586	SRZZCSXOCJYUDB-UHFFFAOYSA-N	278.018	1.669	5	40	CDBB	
CCOC(=O)[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1	20135327	OIJRLGDWFBHZPR-SNVBAGLBSA-N	279.296	1.769	5	40	CDBB	
COC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C	1084564	PSXWVZOUIXONDE-UHFFFAOYSA-N	278.062	1.035	5	40	CDBB	
COCCNc1c([N+](=O)[O-])c(=O)oc2ccccc12	59488891	ALGVGMYGFLEAHY-UHFFFAOYSA-N	264.237	1.760	5	40	CDBB	
CC(C)N1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CC1=O	60362882	NHRKXJZCBJFEIH-SECBINFHSA-N	264.285	1.411	5	40	CDBB	
CCOC(=O)c1cn([C@H](C)CC(=O)O)nc1[N+](=O)[O-]	408716060	IKQBHMUQOQTYJQ-ZCFIWIBFSA-N	271.229	1.004	5	40	CDBB	
CC(C)(C)C(=O)Cn1nc([N+](=O)[O-])nc1Br	536196	KWZPMPVXKMRBOZ-UHFFFAOYSA-N	291.105	1.564	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1NCc1cccc2c1OCCO2	102761904	AVLNDXCOKWEEQD-UHFFFAOYSA-N	290.279	1.712	5	40	CDBB	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1Cl	984041	UQONKOIDWYVHEA-UHFFFAOYSA-N	271.689	1.923	5	40	CDBB	
CC(=O)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	12948595	NBEXNIGKYHPVSD-UHFFFAOYSA-N	291.307	1.208	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C(=O)O	4104993	FRTPHDWLQSBFKN-DTWKUNHWSA-N	250.210	1.254	5	40	CDBB	
CCN1CCO[C@@H](COc2cccc([N+](=O)[O-])c2)C1	217502173	KWDANWBUNBFMCE-CYBMUJFWSA-N	266.297	1.694	5	40	CDBB	
O=C(O)/C=C/NC(=O)Nc1cccc([N+](=O)[O-])c1	222698270	RWXSADDWTPOXKE-SNAWJCMRSA-N	251.198	1.315	5	40	CDBB	
Cc1ccc(OC[C@H]2NCCS2)cc1[N+](=O)[O-]	20390607	PDQTWEZRPLDAPK-NSHDSACASA-N	254.311	1.945	5	40	CDBB	
CC(C)N1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC1=O	60362883	NHRKXJZCBJFEIH-VIFPVBQESA-N	264.285	1.411	5	40	CDBB	
Cc1ccc(C(=O)Nc2ccn(C)n2)cc1[N+](=O)[O-]	12813082	FENACXYLFVJNIO-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
CO[C@H](CNC(=O)c1n[nH]c(C)c1[N+](=O)[O-])C(C)(C)C	73218560	SXCJHJIQKHMDGQ-MRVPVSSYSA-N	284.316	1.417	5	40	CDBB	
Cc1nnnn1Cc1ccc([N+](=O)[O-])cc1Cl	96007243	BUITVORSNDUCSW-UHFFFAOYSA-N	253.649	1.591	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCO3)cc1	4243154	SHLUSCRJQRVCSR-UHFFFAOYSA-N	264.281	1.938	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)nn1	4317536	QWYFLWSVZYTTOU-UHFFFAOYSA-N	260.209	1.343	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCS(=O)(=O)C1	12981550	SIJQVFCWGQFXIC-MRVPVSSYSA-N	288.300	1.581	5	40	CDBB	
COc1ncnc(Sc2ccccn2)c1[N+](=O)[O-]	497094	HKTGZEJZZAZLKK-UHFFFAOYSA-N	264.266	1.940	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccco1	794562	WPXBGNCXMDBCOT-UHFFFAOYSA-N	264.241	1.009	5	40	CDBB	
CCCCC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	7020508	OWQADUIDTROXSC-NSHDSACASA-N	295.339	1.842	5	40	CDBB	
Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1C	97107907	RLSNOKZQBDCDRF-UHFFFAOYSA-N	261.241	1.284	5	40	CDBB	
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CCN1CCCC1	6473375	HQXRNXMUDOZDTR-LBPRGKRZSA-N	291.307	1.780	5	40	CDBB	
C[S@](=O)c1nncn1-c1ccc(Cl)cc1[N+](=O)[O-]	225560293	IJSFXEHOORAPIM-SFHVURJKSA-N	286.700	1.566	5	40	CDBB	
O=C1NCCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl	96412854	MYRCOCRRAYUAEX-SECBINFHSA-N	284.703	1.724	5	40	CDBB	
CCOC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	20135439	UWNORKCNWOIFHH-JTQLQIEISA-N	279.296	1.769	5	40	CDBB	
O=c1c2ccccc2nnn1-c1ccccc1[N+](=O)[O-]	1714672	NMJLHPXOQVOOKE-UHFFFAOYSA-N	268.232	1.689	5	40	CDBB	
CCOC(=O)c1cc(C(=O)NC(C)C)cc([N+](=O)[O-])c1	8719315	MVTJBRGZERKRLF-UHFFFAOYSA-N	280.280	1.910	5	40	CDBB	
COCC(=O)Nc1ccc([N+](=O)[O-])cc1Br	4342205	YMXOPTBLHGLEAO-UHFFFAOYSA-N	289.085	1.942	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1CCOc1ccccc1F	71793777	HIERDJUTFAHENM-UHFFFAOYSA-N	278.239	1.975	5	40	CDBB	
CCS(=O)(=O)[C@@H](C)C(=O)c1cccc([N+](=O)[O-])c1	96518009	BRNWKQRKJWMXFS-QMMMGPOBSA-N	271.294	1.601	5	40	CDBB	
CCS(=O)(=O)[C@H](C)C(=O)c1ccc([N+](=O)[O-])cc1	96518006	SGROGUYDQGTERP-MRVPVSSYSA-N	271.294	1.601	5	40	CDBB	
Cc1nn(C)c(N2CCC[C@@H](c3nc[nH]n3)C2)c1[N+](=O)[O-]	96452901	XNACUHXZLWIFBS-SECBINFHSA-N	291.315	1.139	5	40	CDBB	
C[N@+]12CCCC[C@@H]1[C@H](N1C(=O)CCCC1=O)CCC2	247644248	JBUTUZWQGOBNHH-PBFPGSCMSA-N	265.377	1.687	5	40	CDBB	biogenic,in-vitro
COc1cc([N+](=O)[O-])c(OC)c2c(C)cc(=O)[nH]c12	15084635	AKMCTEULHHKOAO-UHFFFAOYSA-N	264.237	1.762	5	40	CDBB	
CSC1=NCCN1C(=O)c1cccc([N+](=O)[O-])c1	4119735	ZELZUGIOAMZFQB-UHFFFAOYSA-N	265.294	1.770	5	40	CDBB	
O=C(Nn1cnnc1)c1ccc(Cl)c([N+](=O)[O-])c1	508241	LLLUCSJQSSEMDA-UHFFFAOYSA-N	267.632	1.224	5	40	CDBB	
O=[N+]([O-])c1ccc(Br)c(P(=O)(O)O)c1	1870271	RCNLLGDHYNUJSK-UHFFFAOYSA-N	281.986	1.160	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC1	6478208	FCRHVALDLORZRQ-UHFFFAOYSA-N	277.280	1.464	5	40	CDBB	
O=C(O)COc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]	1732236	IXQKJKRSNBANCS-UHFFFAOYSA-N	260.133	1.106	5	40	CDBB	
O=[N+]([O-])c1cnc(-n2nnc3ccccc32)nc1NC1CC1	26690685	CYOWFCHNDRLXTN-UHFFFAOYSA-N	297.278	1.693	5	40	CDBB	
Cc1cc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])n(C(C)(C)C)n1	45784117	ACPGHGZAXFJKLK-IUCAKERBSA-N	266.301	1.550	5	40	CDBB	
CC[C@H]([C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96519465	HBWFQQDYJVAFFX-GHMZBOCLSA-N	273.310	1.451	5	40	CDBB	
Cc1c(COC(=O)c2cc[nH]n2)cccc1[N+](=O)[O-]	51121740	GEVGNKPLNDISNJ-UHFFFAOYSA-N	261.237	1.983	5	40	CDBB	
O=[N+]([O-])c1cc(F)c(N2CCC[C@@H](O)C2)c(F)c1	228891055	XQKQMLCKAAHSKL-MRVPVSSYSA-N	258.224	1.834	5	40	CDBB	
CC1(COc2ncc(Cl)cc2[N+](=O)[O-])OCCO1	16605443	UVAUOBUWYRPGRO-UHFFFAOYSA-N	274.660	1.785	5	40	CDBB	
NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	32156394	RLOBLCKPLSPZIT-UHFFFAOYSA-N	281.087	1.005	5	40	CDBB	
C[N+]1(CCC[N+]2(C)C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)CCOCC1	101158737	IAGUZLAALPHMBW-YLQJXANPSA-N	292.467	1.752	5	40	CDBB	
CC(=O)N[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1	96453553	RSNASFXSUHWINF-JTQLQIEISA-N	281.287	1.839	5	40	CDBB	
O=C(O)c1nc2ccc(C(F)(F)F)cn2c1[N+](=O)[O-]	40566634	FVFFBUVCAVHRQG-UHFFFAOYSA-N	275.142	1.960	5	40	CDBB	in-vitro
CNc1c([N+](=O)[O-])nn(-c2cccc(Cl)c2)[n+]1[O-]	4923289	UCXZWNRFDRYGFX-UHFFFAOYSA-N	269.648	1.109	5	40	CDBB	
Cc1nn(CC(=O)NCC[C@@H]2CCCO2)c(C)c1[N+](=O)[O-]	58392137	FGNFOILOGSKORN-NSHDSACASA-N	296.327	1.093	5	40	CDBB	
O=c1[nH]c2cccnc2n1-c1cccc([N+](=O)[O-])c1	13638826	HIGQFNILPZUXHD-UHFFFAOYSA-N	256.221	1.622	5	40	CDBB	
NC(=O)c1ccc(NCCCn2ccnc2)c([N+](=O)[O-])c1	6510424	MYIOVXPCALZPKE-UHFFFAOYSA-N	289.295	1.392	5	40	CDBB	
Cc1ccc2c3oc(=O)cc(O)c3c(=O)n(C)c2c1	6666740	RAWNZJSIULMUPT-UHFFFAOYSA-N	257.245	1.659	5	40	CDBB	
O=C(O)c1cc2c(=O)c3ccccc3[nH]c2oc1=O	9397375	DTFBDHDLNFRHSQ-UHFFFAOYSA-N	257.201	1.333	5	40	CDBB	biogenic
Cc1c(CN2C[C@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-]	69581018	GNVYTMPRYUWXIM-GXFFZTMASA-N	291.351	1.989	5	40	CDBB	
CC(C)(CO)NC(=O)Nc1cccc([N+](=O)[O-])c1	35115054	MJWXSOBMTZTRSC-UHFFFAOYSA-N	253.258	1.487	5	40	CDBB	
C[C@@H](Sc1ncccc1[N+](=O)[O-])C(=O)N(C)C	49418556	OQHMBGPVLKNGMG-SSDOTTSWSA-N	255.299	1.559	5	40	CDBB	
O=C(O)CCNc1ncc([N+](=O)[O-])cc1Br	86481861	RQVCOHXRWUDDSK-UHFFFAOYSA-N	290.073	1.639	5	40	CDBB	
CON(C)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	9368750	YUZGKFGEJAUVGT-UHFFFAOYSA-N	295.295	1.065	5	40	CDBB	
CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	21810520	HQWDUSKGEOZAEL-UHFFFAOYSA-N	250.663	1.156	5	40	CDBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC1CCNCC1	362563	NWBKOSXFBDNWTK-UHFFFAOYSA-N	289.291	1.190	5	40	CDBB	
C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc12)C(=O)O	6442654	KWAIYUDRTUOOPG-SCSAIBSYSA-N	252.186	1.016	5	40	CDBB	
CN(C)C(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2	47836056	UGVQZGBXWIQNFU-ONEGZZNKSA-N	264.237	1.425	5	40	CDBB	
O=C(NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])s1	3269218	NYPNLZQKDXZPCN-SSDOTTSWSA-N	256.283	1.565	5	40	CDBB	
C[C@@H]1C[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C(=O)O1	39983359	BNYDYHYCISOEPY-LHLIQPBNSA-N	255.201	1.817	5	40	CDBB	
Cc1cnc(NCCCc2n[nH]c(C)n2)c([N+](=O)[O-])c1	80229975	HTHJZWZANGUJEO-UHFFFAOYSA-N	276.300	1.769	5	40	CDBB	
O=C(NO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1	72058623	WGDCKGMSBSVDKU-LLVKDONJSA-N	266.253	1.783	5	40	CDBB	
Cc1nc(N2CCC[C@@H](c3nnn[nH]3)C2)ccc1[N+](=O)[O-]	97147827	DLANPNJVEUUKHF-SECBINFHSA-N	289.299	1.195	5	40	CDBB	
Cc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1[N+](=O)[O-]	409192438	CMCRVSAHZNOLCZ-WEVVVXLNSA-N	261.237	1.426	5	40	CDBB	
O=[N+]([O-])c1ccc(Cl)c(CN2CCNCC2)c1	33364204	HYQBAZQOCQLDQM-UHFFFAOYSA-N	255.705	1.653	5	40	CDBB	
CC(C)[C@H](N)C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1	79420986	COPPYJRLZBMKHP-LBPRGKRZSA-N	265.313	1.537	5	40	CDBB	
CN(C)C1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1	36192474	KCELCRPRLXURJN-UHFFFAOYSA-N	277.324	1.938	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(N3CC[C@@H](O)C3)cnc2c1	91351763	ZBKWOMJMWRYHNL-SECBINFHSA-N	260.253	1.109	5	40	CDBB	
CC[C@H](C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	5002551	WYLHEQJILASWFR-SSDOTTSWSA-N	278.220	1.054	5	40	CDBB	
COC[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1	33040364	ZBGSZWWRCGBOET-MRVPVSSYSA-N	253.258	1.751	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(S[C@H](C)C(=O)O)n1	80921	LFZCKGHKKKCAMI-RXMQYKEDSA-N	258.255	1.564	5	40	CDBB	
CCC[N+](C)(C)CCOC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	104184172	HZZUTTDRMYIDDZ-HPCHECBXSA-N	296.387	1.214	5	40	CDBB	
Cc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])o1)C=C(C(=O)O)N2	102334126	KISNDPMPHMKLHM-ZETCQYMHSA-N	291.223	1.071	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc([N+](=O)[O-])c1	2260518	NOKFDBVUDJPWAB-UHFFFAOYSA-N	291.223	1.489	5	40	CDBB	
CC(=O)Oc1ccc([C@@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1	5482458	ZFPMNJPTDSBBTC-NSHDSACASA-N	291.263	1.474	5	40	CDBB	
O=[N+]([O-])c1ccn(-c2c(F)c(F)nc(F)c2F)n1	4776532	KMHRREBKROUAEZ-UHFFFAOYSA-N	262.122	1.732	5	40	CDBB	
NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1	8053536	HARJFRSRUJQHCW-MRVPVSSYSA-N	283.715	1.950	5	40	CDBB	
O=C(Nc1ccc2nncn2c1)c1ccc([N+](=O)[O-])o1	97045191	QUCNROBGXASOGY-UHFFFAOYSA-N	273.208	1.483	5	40	CDBB	
COc1cc(OC)cc([C@H](CC(=O)O)C[N+](=O)[O-])c1	217536115	MRUKXHATYIXJIT-SECBINFHSA-N	269.253	1.539	5	40	CDBB	
CCS(=O)(=O)[C@H](C)C(=O)c1cccc([N+](=O)[O-])c1	96518010	BRNWKQRKJWMXFS-MRVPVSSYSA-N	271.294	1.601	5	40	CDBB	
CC[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96518037	PBGSZQZRRINURI-JTQLQIEISA-N	271.294	1.601	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ncc1Br	91297564	ITJQALOMVFZQJW-UHFFFAOYSA-N	261.031	1.539	5	40	CDBB	
O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-]	47226731	GSUWEFSKUVXFQK-GXTWGEPZSA-N	289.335	1.951	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CC=CC1	101449025	ZGQXBCHPVDPUGT-UHFFFAOYSA-N	289.335	1.895	5	40	CDBB	
CC1=C([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)NC(=O)N1	370178	WZNIVHXIOSNYMS-JTQLQIEISA-N	277.236	1.277	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NCC1CC1	91186	URDBZXJBVONRQA-UHFFFAOYSA-N	280.280	1.752	5	40	CDBB	
CC(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1	8148858	DZXWRBHLMZHOEJ-UHFFFAOYSA-N	291.307	1.499	5	40	CDBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ncccc1O	6608932	KGHVHUMFPJPQRC-UHFFFAOYSA-N	289.247	1.713	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCCNC1	14631337	LMXCRCVBCOTBEG-SNVBAGLBSA-N	266.297	1.982	5	40	CDBB	
CC[C@H](C(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	96518076	SXGFVXLUORWCOJ-LLVKDONJSA-N	285.321	1.991	5	40	CDBB	
Cc1cnc(NCC(=O)NCC(C)C)c([N+](=O)[O-])c1	96429832	JTWRTOXLIWVUBN-UHFFFAOYSA-N	266.301	1.482	5	40	CDBB	
O=c1cc([C@@H](O)C[N+](=O)[O-])occ1OCc1ccccc1	480919	RRCJQNNWWUURAK-LBPRGKRZSA-N	291.259	1.529	5	40	CDBB	
CN1CC2(Cc3cc([N+](=O)[O-])ccc31)C(=O)CCCC2=O	9304517	QLLUFRMALRGISM-UHFFFAOYSA-N	288.303	1.896	5	40	CDBB	
Cc1cc(C(=O)NCC(=O)NC(C)C)ccc1[N+](=O)[O-]	8165627	FGJNALQXNPIEAM-UHFFFAOYSA-N	279.296	1.158	5	40	CDBB	
CCN(C)c1ccccc1CNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	71883513	UVSWUELWOYFFON-AAEUAGOBSA-N	277.324	1.424	5	40	CDBB	
Cc1nc(C)n(C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1	97085564	XIBWNQGCVFXECT-LLVKDONJSA-N	292.295	1.243	5	40	CDBB	
CCc1[nH]nc(C(=O)N[C@@H](C)c2ccncc2)c1[N+](=O)[O-]	95451120	PAVXZNVBPAPIEN-QMMMGPOBSA-N	289.295	1.766	5	40	CDBB	
COc1cc(N[C@@H]2CCC(=O)N(C)C2)c(F)cc1[N+](=O)[O-]	95982717	YHBDENGFIMEUDK-MRVPVSSYSA-N	297.286	1.775	5	40	CDBB	
Cc1nn(C)c(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-]	47331239	ILWHWKKQTADXIA-UHFFFAOYSA-N	279.344	1.675	5	40	CDBB	
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(N)=O	95427455	LFVPVCUTPWZCNI-JTQLQIEISA-N	255.249	1.656	5	40	CDBB	
O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCCC1	6850312	GHFNKNAWHJHQIG-UHFFFAOYSA-N	268.244	1.735	5	40	CDBB	
C[C@H](C(=O)O)n1nc(C(F)(F)F)cc1[N+](=O)[O-]	35655540	ZXUZRYLZKLRRBY-GSVOUGTGSA-N	253.136	1.456	5	40	CDBB	
COc1ccc2sc(C(=O)O)nc2c1[N+](=O)[O-]	38540842	KFABCBLZDFFRFD-UHFFFAOYSA-N	254.223	1.911	5	40	CDBB	
CC[C@H]1CCCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	75765789	WSCOTZVHVRZXJG-JSGCOSHPSA-N	296.371	1.807	5	40	CDBB	
CCCNc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C(N)=O	225728144	JHWXMYIKGHODBJ-UHFFFAOYSA-N	268.229	1.424	5	40	CDBB	
O=C(OCC1CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	52745418	NAQXQRYNNDLKHK-UHFFFAOYSA-N	288.263	1.742	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)C[C@@H](C)O1	158064237	CVEAXXBKEOXWHB-OCAPTIKFSA-N	252.274	1.186	5	40	CDBB	
O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1[N+](=O)[O-]	47247748	IPIPJZOAFRXSDW-AEGPPILISA-N	297.314	1.952	5	40	CDBB	
C[C@H]1CCCC[C@H]1NCCn1ccc([N+](=O)[O-])n1	97096429	SMNFUNRHPMXVMV-WDEREUQCSA-N	252.318	1.960	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(F)c1	9685552	BVKWIUIPKBHIRL-UHFFFAOYSA-N	294.213	1.918	5	40	CDBB	
Cc1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])s1	28630499	PODAGFGZRFSTMR-PLNGDYQASA-N	279.277	1.924	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@H](C)C2)n1	18084004	NYAUHBBSMFPXIB-DTORHVGOSA-N	282.300	1.061	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(N[C@@H]3CCNC3)sc2c1	95630492	WEVQRQARGRIZIN-SSDOTTSWSA-N	264.310	1.978	5	40	CDBB	
CCOC[C@@H](O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1	75611642	HDHLFFMAWCCLML-FZMZJTMJSA-N	282.340	1.985	5	40	CDBB	
O=C(CSc1ncn[nH]1)c1ccc([N+](=O)[O-])cc1	6321874	RJYBGKMSDRROHE-UHFFFAOYSA-N	264.266	1.688	5	40	CDBB	
COc1ccc(CC(=S)N2CCOCC2)cc1[N+](=O)[O-]	409393208	VPNACSYJNWFMCC-UHFFFAOYSA-N	296.348	1.806	5	40	CDBB	
Cc1ccc(F)cc1Cn1ncc([N+](=O)[O-])c1N	187175492	BTIBPKJLTOHWIQ-UHFFFAOYSA-N	250.233	1.869	5	40	CDBB	
O=c1ccc(F)cn1CCOc1cccc([N+](=O)[O-])c1	190745445	LWWDEGDRNAAOJS-UHFFFAOYSA-N	278.239	1.975	5	40	CDBB	
O=C(O)c1ccc(NCCCn2ccnc2)c([N+](=O)[O-])c1	35655289	VDPGIWQEDKGCRZ-UHFFFAOYSA-N	290.279	1.992	5	40	CDBB	
COc1ccc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1OC	94885	QQQDHBUWOFWZEF-NOZJJQNGSA-N	280.280	1.300	5	40	CDBB	
CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1	20608794	HQXICBNBENMSEE-UHFFFAOYSA-N	277.324	1.301	5	40	CDBB	
Cc1nc(C(C)(C)O)n(-c2ccc([N+](=O)[O-])cc2)n1	3165597	SBSUSUFYUUTKOX-UHFFFAOYSA-N	262.269	1.711	5	40	CDBB	
COC(COc1ccc([N+](=O)[O-])cc1C=O)OC	3157483	MPQMVTNVWUDRIJ-UHFFFAOYSA-N	255.226	1.405	5	40	CDBB	
CCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	54614403	UPJWFYNTCVMLER-UHFFFAOYSA-N	259.287	1.064	5	40	CDBB	in-vitro
CCn1c(CCn2nc(C)cc2[N+](=O)[O-])n[nH]c1=S	2573500	JFBWCVYDKCKDAO-UHFFFAOYSA-N	282.329	1.616	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1NCC1(O)CCOCC1	69978434	OKOFYCNRXDPIHB-UHFFFAOYSA-N	270.260	1.687	5	40	CDBB	
Cc1cccc(C(=O)O[C@@H]2CCCNC2=O)c1[N+](=O)[O-]	95425604	VCDKCLRNUCKTFW-SNVBAGLBSA-N	278.264	1.339	5	40	CDBB	
O=[N+]([O-])c1ccc(NCc2nnc3n2CCC3)nc1	25005893	LCHPHNNQIKQBBJ-UHFFFAOYSA-N	260.257	1.140	5	40	CDBB	
CCN1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2)C1	217503692	YJMNNQANRFPRRN-CYBMUJFWSA-N	266.297	1.694	5	40	CDBB	
COC(=O)c1ccc(Br)c(O)c1[N+](=O)[O-]	115947552	MBVPHHISIZCBPU-UHFFFAOYSA-N	276.042	1.850	5	40	CDBB	
Cc1noc(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1	16089716	KCMBMOYSIJSFKP-UHFFFAOYSA-N	298.276	1.967	5	40	CDBB	
COC(=O)/C(O)=C/c1nc(OC)ccc1[N+](=O)[O-]	4321466	MXFNDGAASFFGAP-YVMONPNESA-N	254.198	1.070	5	40	CDBB	
O=C(O)[C@@H]1CS[C@@H](c2ccccc2[N+](=O)[O-])N1	2750020	ZVOYQTDOMWNUHN-CBAPKCEASA-N	254.267	1.383	5	40	CDBB	
C[C@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1[N+](=O)[O-]	2764740	LLBLXMZRQHNNRZ-VIFPVBQESA-N	286.291	1.920	5	40	CDBB	
O=C(O)CN(c1c([N+](=O)[O-])ccc(F)c1F)C1CC1	53162391	BFOOBNLCIFXIPY-UHFFFAOYSA-N	272.207	1.926	5	40	CDBB	in-vitro
CC(C)Oc1nn([C@H](C)CC(=O)O)cc1[N+](=O)[O-]	408715280	AMUBDZIPXSBPKD-SSDOTTSWSA-N	257.246	1.614	5	40	CDBB	
CCn1c2ccccc2n2c1nn1c(S)nnc12	33373516	GNLKDANOKCYXCO-UHFFFAOYSA-N	258.310	1.640	5	40	CDBB	
C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)C1CCNCC1)CCC2	254291985	CUEHRXOORKFAMS-GPMSIDNRSA-N	295.447	1.938	5	40	CDBB	
CCN(CC)S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1	69842131	FYRCDVXUHIRIEJ-UHFFFAOYSA-N	288.329	1.176	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H]2CO2)cc1[C@H]1CO1	13403361	VRCHONYMQBZRLX-AOOOYVTPSA-N	252.182	1.646	5	40	CDBB	
C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)O	19423442	KJOBWQBDKFKRKL-RXLGXGPVSA-N	264.237	1.197	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(C)cn1	19159403	ZUVRROLQZCSYMK-UHFFFAOYSA-N	288.263	1.954	5	40	CDBB	
CCN(CC)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	3901110	DVRSXMIJEYOQSF-LBPRGKRZSA-N	291.307	1.569	5	40	CDBB	
CS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1	10434411	UJQJMFQAXXLTNH-UHFFFAOYSA-N	284.293	1.125	5	40	CDBB	
COc1ccc(S(=O)(=O)NCC2CC2)c([N+](=O)[O-])c1	24434334	NSQJHMZZFSYYMC-UHFFFAOYSA-N	286.309	1.292	5	40	CDBB	
O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C[C@@H]1[N+](=O)[O-]	48918818	LUEAZYMKRHNZEY-IUCAKERBSA-N	290.304	1.809	5	40	CDBB	
O=c1c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc2n1O	4897883	DLPUAJQMUYYCLH-UHFFFAOYSA-N	299.242	1.447	5	40	CDBB	
CC(=O)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	67384889	YQNFRJBAPAZSTN-NSHDSACASA-N	278.312	1.342	5	40	CDBB	
CNC(=O)CN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7365335	ZGBMDFHCMGGDHO-UHFFFAOYSA-N	291.229	1.796	5	40	CDBB	
C[C@@H](NC[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	90850141	IUCOROLDKWZBSJ-ZWNOBZJWSA-N	266.297	1.397	5	40	CDBB	
CC1=CC=C[C@@H](Oc2ncnc(N)c2[N+](=O)[O-])[C@H]1C	26802674	JMUHVVLSAARLND-DTWKUNHWSA-N	262.269	1.867	5	40	CDBB	
CCn1nc([N+](=O)[O-])c(I)c1C	72339302	XRLBFWFNQSSWTJ-UHFFFAOYSA-N	281.053	1.724	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NCCn1cnnc1	45958625	JWWNJBVJSTYXQW-UHFFFAOYSA-N	263.257	1.307	5	40	CDBB	
COc1ccc(NC(=O)NCCCN(C)C)c([N+](=O)[O-])c1	12733774	KZCWRUPVIVGCGQ-UHFFFAOYSA-N	296.327	1.677	5	40	CDBB	
CCOC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1	20135322	ZPSYNSDCXQLMCP-UHFFFAOYSA-N	280.284	1.268	5	40	CDBB	
O=C(Nc1ccccc1[N+](=O)[O-])N[C@H]1CCCCNC1=O	40554319	FGVOGMVPBVQAEV-JTQLQIEISA-N	292.295	1.385	5	40	CDBB	
COC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC	4824528	UBASDKGBNBDDJS-VIFPVBQESA-N	299.239	1.103	5	40	CDBB	
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CCN1CCCC1	6473374	HQXRNXMUDOZDTR-GFCCVEGCSA-N	291.307	1.780	5	40	CDBB	
CO[C@]1(C)C[C@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C	73275243	CZNFCTKYXJQOQN-ISVAXAHUSA-N	296.327	1.560	5	40	CDBB	
CC1(C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	41099036	BHALKVQNTNKATP-UHFFFAOYSA-N	263.253	1.425	5	40	CDBB	
O=C(O)Cc1cc(Br)c(O)c([N+](=O)[O-])c1	87528572	VUBRNMUKGXUXRH-UHFFFAOYSA-N	276.042	1.690	5	40	CDBB	in-vitro
COc1ccc(/C=C2/N=C(S)NC2=O)cc1[N+](=O)[O-]	344634	YBPLVURJBZPCRA-QPJJXVBHSA-N	279.277	1.360	5	40	CDBB	
Cc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2C=O)n1	5955501	JRQAFWFKYILTSU-UHFFFAOYSA-N	264.266	1.985	5	40	CDBB	
CCO[C@@H]1OC(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]12	104284766	ZEPOFTXLDBUZGM-IRUJWGPZSA-N	292.247	1.233	5	40	CDBB	
O=C(NC[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1	12505645	HBCMTQIGRGIELL-NSHDSACASA-N	265.269	1.895	5	40	CDBB	
C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccccc1[N+](=O)[O-]	69772854	VVTHBEQTLIRGBN-ZYHUDNBSSA-N	277.324	1.681	5	40	CDBB	
CCN(CC(=O)NCCOC)Cc1cccc([N+](=O)[O-])c1	40088675	YPDBXMSENOIDNZ-UHFFFAOYSA-N	295.339	1.179	5	40	CDBB	
O=[N+]([O-])c1cccc([C@@H](N2CCOCC2)n2ccnc2)c1	13233725	DQZCDNWQCJQJII-AWEZNQCLSA-N	288.307	1.670	5	40	CDBB	
CC(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	32601730	VYERHQKIECRDSE-UHFFFAOYSA-N	278.717	1.935	5	40	CDBB	
O=c1c(=NNc2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc12	4499534	NIIMSOWSHCRAFB-UHFFFAOYSA-N	295.254	1.272	5	40	CDBB	
CCN(Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	72302057	LRZQDCAKQSKOEC-UHFFFAOYSA-N	258.299	1.376	5	40	CDBB	
COc1c(C(N)=O)cc(C(C)(C)C)cc1[N+](=O)[O-]	57339207	DHEULXZMVFBJMX-UHFFFAOYSA-N	252.270	2.000	5	40	CDBB	
Cc1nc(C)n(C[C@H](O)COc2ccccc2[N+](=O)[O-])n1	97085563	XIBWNQGCVFXECT-NSHDSACASA-N	292.295	1.243	5	40	CDBB	
CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	19984050	JLAQEYIYFMGKNS-UHFFFAOYSA-N	250.663	1.156	5	40	CDBB	
Cc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	95406104	MMFDFBXDZPQOAF-NSHDSACASA-N	298.364	1.774	5	40	CDBB	
C[C@@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96519322	ZWGFDFMZLMZSMT-OIBJUYFYSA-N	259.283	1.061	5	40	CDBB	
CCOC[C@@H](O)CNc1ncc(C)cc1[N+](=O)[O-]	78667391	PYLIFTARBIWSSA-VIFPVBQESA-N	255.274	1.108	5	40	CDBB	
CC(C)CC(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1	14257552	MXYPRQXKLHDWTE-UHFFFAOYSA-N	296.352	1.959	5	40	CDBB	
O=[N+]([O-])c1cnc(NCCO)c(Br)c1	20428840	ZBWREWNBRIDLDJ-UHFFFAOYSA-N	262.063	1.157	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCCCC1	6120042	NMZJVLUBVZKKLM-UHFFFAOYSA-N	279.296	1.159	5	40	CDBB	
O=[N+]([O-])c1ccc(NC[C@H](O)COCC2CC2)c(F)c1	58171663	WNXNAIOQWABTTB-NSHDSACASA-N	284.287	1.933	5	40	CDBB	
CC(=O)c1ccc(NC[C@@H]2COCCO2)c([N+](=O)[O-])c1	44977109	QQADMXZUTSXOQB-LLVKDONJSA-N	280.280	1.625	5	40	CDBB	
C[C@@H]1CCC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C	6522998	GWKGSCMXUZSZSH-OPRDCNLKSA-N	280.328	1.883	5	40	CDBB	
O=[N+]([O-])c1ccc(NC(CO)CO)nc1-c1ccccc1	90095890	YEBOOTHDQZZGKR-UHFFFAOYSA-N	289.291	1.422	5	40	CDBB	
Nc1nc(Oc2cccc(-n3ccnc3)c2)ncc1[N+](=O)[O-]	72291261	MNYRZIRVZDNXCY-UHFFFAOYSA-N	298.262	1.945	5	40	CDBB	
Nc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C1CCN2CC1	100717387	SDZKOUMULBGWPL-UHFFFAOYSA-N	264.241	1.783	5	40	CDBB	
Cc1c([N+](=O)[O-])ccc(S(=O)(=O)n2ccnc2C)c1C	2709647	JQBUWGFDJYVBCO-UHFFFAOYSA-N	295.320	1.954	5	40	CDBB	
Cc1cc(C(=O)N(C)Cc2cnn(C)c2)ccc1[N+](=O)[O-]	24470413	IXGFHAIWHZWTAM-UHFFFAOYSA-N	288.307	1.909	5	40	CDBB	
CCOC(=O)C1(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CCCCC1	46265683	IBMODIZCNCQIDJ-UWVGGRQHSA-N	284.312	1.034	5	40	CDBB	
CCn1c(CCn2ccc([N+](=O)[O-])n2)n[nH]c1=S	8339794	QOCCPOXERKJSMD-UHFFFAOYSA-N	268.302	1.308	5	40	CDBB	
Cc1cc(C)cc(OC[C@@H](O)Cn2cnc([N+](=O)[O-])n2)c1	95974827	SRUVDBFVVWJJJP-NSHDSACASA-N	292.295	1.243	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])C1CCS(=O)CC1	81099757	SEFKSWZQHYNNMC-UHFFFAOYSA-N	282.365	1.938	5	40	CDBB	
C[C@H](C(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96517988	UVTMCIJGPPJLAT-SSDOTTSWSA-N	257.267	1.211	5	40	CDBB	
CC[C@](C)(NCc1c(F)cccc1[N+](=O)[O-])C(N)=O	75105622	UCHSMASRJLVTIX-LBPRGKRZSA-N	269.276	1.478	5	40	CDBB	
Cc1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1	95973723	MWMPMPWYEWRYGL-SNVBAGLBSA-N	299.352	1.031	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(F)cc1	2796201	HHCWXPJBIXOFIW-UHFFFAOYSA-N	292.270	1.669	5	40	CDBB	
CCOC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	3068440	KXILMLSEGUUHPS-GFCCVEGCSA-N	294.307	1.912	5	40	CDBB	
O=[N+]([O-])c1ccc(CNn2cn[nH]c2=S)cc1	7601148	NRVDNUIPHMJNNU-UHFFFAOYSA-N	251.271	1.593	5	40	CDBB	
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@@H]2CC[C@@H]1C2	102787062	XUYQBNQVKHVWSI-QCNOEVLYSA-N	292.339	1.732	5	40	CDBB	
CCN(CC(=O)NC(C)(C)C)c1ncccc1[N+](=O)[O-]	24106939	HBNZRIVVBSCXOM-UHFFFAOYSA-N	280.328	1.731	5	40	CDBB	
C[C@H]1CCCN(c2nc(Cl)nc(N)c2[N+](=O)[O-])C1	5164534	CSTDQBXEMBVIOV-LURJTMIESA-N	271.708	1.857	5	40	CDBB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1	6509262	FHOKFVAYOYZYJM-SNVBAGLBSA-N	295.251	1.379	5	40	CDBB	
Cc1nn([C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-]	17023972	YPJCFGLSLLYLPM-WCABBAIRSA-N	296.327	1.297	5	40	CDBB	
CCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	35272595	QFWLHNJOYPLBBJ-UHFFFAOYSA-N	269.282	1.523	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(N3CC[C@@H](CO)C3)cnc2c1	91355830	VDPAEMZHKRRLNI-SECBINFHSA-N	274.280	1.357	5	40	CDBB	
N=c1c2ccccc2nnn1-c1ccccc1[N+](=O)[O-]	5028936	MFNDNYZQIBJJKJ-UHFFFAOYSA-N	267.248	1.808	5	40	CDBB	
CNC(=O)c1ncn2c1nnc1c3ccccc3ccc12	1414411	FXCFZLOKNYNECC-UHFFFAOYSA-N	277.287	1.790	5	40	CDBB	
C[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1	5939014	FPUWECIOKZMWDX-SECBINFHSA-N	263.297	1.930	5	40	CDBB	
CC(=O)Nc1ccc(C(=O)Cn2cnc([N+](=O)[O-])n2)cc1	8295871	SVSPCQFJSCNBNT-UHFFFAOYSA-N	289.251	1.028	5	40	CDBB	
CS(=O)(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1	73870108	XSKRMTWNCWGYCF-UHFFFAOYSA-N	299.352	1.113	5	40	CDBB	
O=C(O)c1cn[nH]c1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	71980906	ZLKZDXZOHPLBHF-UHFFFAOYSA-N	278.180	1.591	5	40	CDBB	
O=[N+]([O-])c1ccc(NC[C@H]2CCS(=O)(=O)C2)cc1	5034792	FLZOFEYQZIELBV-SECBINFHSA-N	270.310	1.441	5	40	CDBB	
CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	6314667	QXRHCPVYQJYMFP-SECBINFHSA-N	272.326	1.980	5	40	CDBB	
CCCCn1nnnc1COc1ccc(C)nc1[N+](=O)[O-]	6830464	CXGWELXHIOLGIG-UHFFFAOYSA-N	292.299	1.664	5	40	CDBB	
C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1	46880801	LCSXIXGVCNQSHY-GHMZBOCLSA-N	295.339	1.896	5	40	CDBB	
Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1	1298532	MYUXFGUZQPIOJA-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
NC(=O)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1	15443046	KDPXKLIVMPKZSB-UHFFFAOYSA-N	267.260	1.436	5	40	CDBB	
COc1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1OC	8317413	IOOKGUAUJMXMKS-UHFFFAOYSA-N	292.295	1.958	5	40	CDBB	in-vitro
CC[N+](C)(CC)CCNC(=O)C1=CN(C)/C(=C\N=O)C=C1	38178447	BUQYCSRBEIQKDK-KAMYIIQDSA-O	293.391	1.582	5	40	CDBB	
COc1ccc(O[C@H](C)C(=O)N2CCCC2)c([N+](=O)[O-])c1	5429548	VWOLEXJKVYLQIZ-SNVBAGLBSA-N	294.307	1.993	5	40	CDBB	
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NCC(C)C	84074	YKZAIKUIEZVXTQ-UHFFFAOYSA-N	274.708	1.525	5	40	CDBB	
COc1ccc(NC(=O)N2CCC(O)CC2)c([N+](=O)[O-])c1	23391198	YHHGQNOJSPSWLT-UHFFFAOYSA-N	295.295	1.592	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(F)c1	49418830	ZDMSBUKTZSPZFR-UHFFFAOYSA-N	278.243	1.878	5	40	CDBB	
CNC(=O)c1sc(-c2cc([N+](=O)[O-])ccc2N)nc1C	96003820	UKVYLGCRYRGYOS-UHFFFAOYSA-N	292.320	1.969	5	40	CDBB	
CCc1n[nH]c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])n1	97047386	JQCREXYWXGETKP-UHFFFAOYSA-N	279.231	1.667	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nnn[nH]2)C1	97049880	OTMZMIWSUAFGDO-VIFPVBQESA-N	289.299	1.195	5	40	CDBB	
Cc1ccc(F)c(OC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1	95974913	UMZFLNFIWFDSRB-LLVKDONJSA-N	295.270	1.679	5	40	CDBB	
O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCCC1	26843043	RKWRKCKQVWRERO-UHFFFAOYSA-N	288.259	1.937	5	40	CDBB	
Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1	4558441	HUUWGFYTPQCOGD-UHFFFAOYSA-N	294.292	1.373	5	40	CDBB	
COc1cccc(N2CCC[C@@H](OCCO)C2)c1[N+](=O)[O-]	274640465	DAZAMZDMCNOBJO-LLVKDONJSA-N	296.323	1.581	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1NCc1ccc(-n2ccnc2)nc1	40486130	RQNOGQNSINKKBE-UHFFFAOYSA-N	299.294	1.521	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nnn[nH]2)C1	97049881	OTMZMIWSUAFGDO-SECBINFHSA-N	289.299	1.195	5	40	CDBB	
NC(=O)c1ncn2c1nnc1c3ccccc3ccc12	1418855	SPRCCYKOBHFNMW-UHFFFAOYSA-N	263.260	1.530	5	40	CDBB	
CCn1cc(Cn2cc(Cl)c([N+](=O)[O-])n2)cn1	2740479	SGWOZEKDWAJMLJ-UHFFFAOYSA-N	255.665	1.709	5	40	CDBB	
CCN1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1	29606544	HKSLFJSFRVZSHP-UHFFFAOYSA-N	277.324	1.809	5	40	CDBB	
Nc1nnc(Sc2ncccc2[N+](=O)[O-])s1	2577702	FYXLANAMYDYSCN-UHFFFAOYSA-N	255.284	1.575	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccco1	4713573	NCBYBOZSFFDWLL-UHFFFAOYSA-N	296.304	1.975	5	40	CDBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	71373223	QHNUANJNVBNJNC-UHFFFAOYSA-N	281.087	1.005	5	40	CDBB	
CCOC(=O)[C@@H](CC)n1cc([N+](=O)[O-])c(OCC)n1	253408427	XWSALWZAURQVFE-MRVPVSSYSA-N	271.273	1.704	5	40	CDBB	
COC[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	2734902	VRMBBSGHFVXDJZ-VHODGJRUSA-N	264.281	1.759	5	40	CDBB	
CN1CCN(c2ccc([N+](=O)[O-])c(SCCO)c2)CC1	4179838	UOXLQDAUEFLGBN-UHFFFAOYSA-N	297.380	1.431	5	40	CDBB	
COC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1	6124203	LSJWKGMUFMMNEM-SECBINFHSA-N	268.269	1.125	5	40	CDBB	
O=C(c1csc([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2	48696083	OUMJVNIHAFEEHP-UHFFFAOYSA-N	298.320	1.635	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC(C)C	49419842	VQORNUUSHNKTKX-UHFFFAOYSA-N	254.290	1.262	5	40	CDBB	
O=C1CN(c2ccc([N+](=O)[O-])c3cnccc23)CCN1	5688301	KDJRVIIZLXYOEG-UHFFFAOYSA-N	272.264	1.079	5	40	CDBB	
C[C@H](CN1CCOCC1)Nc1ncccc1[N+](=O)[O-]	48289372	GZCZVORKJPSPJG-SNVBAGLBSA-N	266.301	1.122	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1C[C@@H](O)COc1ccccc1	97375863	OLLHMGVHSILJJM-LLVKDONJSA-N	277.280	1.540	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])N1CCOc2ncccc21	96451751	UFGMJDQHTUHLTN-UHFFFAOYSA-N	299.286	1.958	5	40	CDBB	
COc1cc(N[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-]	195575394	BKCHQLGZLCAUTH-MWLCHTKSSA-N	252.270	1.929	5	40	CDBB	
CCNc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-]	19890384	LTTFSTAUASCREF-UHFFFAOYSA-N	294.355	1.141	5	40	CDBB	
COc1ccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)cc1	4686726	PJHVALSOIBIQJA-VIFPVBQESA-N	290.279	2.000	5	40	CDBB	
O=[N+]([O-])c1c(N2CCOCC2)ccc2ncccc12	42109359	QAVRAVUGNIBHMX-UHFFFAOYSA-N	259.265	1.980	5	40	CDBB	
CCOC(=O)CC(=O)Cc1cccc([N+](=O)[O-])c1	1750400	GSKBATUYMHEXQM-UHFFFAOYSA-N	251.238	1.660	5	40	CDBB	
COCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]	13276960	SWVHFPNUWMJOIX-UHFFFAOYSA-N	254.242	1.741	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)nc1	95349632	JDFFWDLFEARPMP-QWHCGFSZSA-N	292.339	1.025	5	40	CDBB	
Nc1nc(N[C@H](CO)c2ccccc2)ncc1[N+](=O)[O-]	69968613	LMUVVIJJYUFWOJ-SECBINFHSA-N	275.268	1.113	5	40	CDBB	
CC[C@@H](C)NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C	196065	SCCUEPRBWOCUOG-ZCFIWIBFSA-N	274.708	1.668	5	40	CDBB	
CCOC[C@H](O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1	107050078	HDHLFFMAWCCLML-BXUZGUMPSA-N	282.340	1.985	5	40	CDBB	
CCCOc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4181859	PZSYLJHKELGFFU-UHFFFAOYSA-N	269.213	1.391	5	40	CDBB	
C[C@H](CO)N1CCN(c2sccc2[N+](=O)[O-])CC1	95986645	OFTROAPOZPVTGJ-SECBINFHSA-N	271.342	1.159	5	40	CDBB	
C[C@H](Cn1cccn1)OC(=O)c1ccc(N)c([N+](=O)[O-])c1	83793640	HNGFKYAUCOQIPS-SECBINFHSA-N	290.279	1.619	5	40	CDBB	
CCOC(=O)c1nc(COc2ccccc2[N+](=O)[O-])n[nH]1	85385929	UGBVIBXTTCFHEY-UHFFFAOYSA-N	292.251	1.469	5	40	CDBB	
CCCNc1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)O	256048327	SFPPICISBCHKML-UHFFFAOYSA-N	291.267	1.696	5	40	CDBB	
COc1cc(N2CCS(=O)CC2)ccc1[N+](=O)[O-]	584906745	RJBYKBRGGIJWEM-UHFFFAOYSA-N	270.310	1.172	5	40	CDBB	
Cc1cc(C)n(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1	92547689	MKIPDZWBUAAUMQ-UHFFFAOYSA-N	290.279	1.752	5	40	CDBB	
CCCN[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O	3881046	YNDLVTASTZWUQY-NSHDSACASA-N	295.295	1.376	5	40	CDBB	
CCOC(=O)c1nc(Cn2nc(C)c([N+](=O)[O-])c2C)no1	12396883	PWZDAYGBQUUNAN-UHFFFAOYSA-N	295.255	1.016	5	40	CDBB	
O=C(O)[C@@H]1CCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1	59681875	GFVDJYNCILVSQW-NSHDSACASA-N	294.263	1.780	5	40	CDBB	
Cn1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)n1	22475697	GVSQKXPGKTUAFP-UHFFFAOYSA-N	252.255	1.642	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)O)C1	408712890	ZUPMQGNJYPDZBX-QMMMGPOBSA-N	294.263	1.594	5	40	CDBB	
N=c1[nH]nc(-c2cc([N+](=O)[O-])nn2C(F)F)s1	408717447	ALYRRMCDAFSNPA-UHFFFAOYSA-N	262.201	1.117	5	40	CDBB	
CCC(=O)N[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	32932493	BZTRJGYBFXTGCL-SECBINFHSA-N	279.296	1.756	5	40	CDBB	
CCN(Cc1ccccc1)c1ncnc(N)c1[N+](=O)[O-]	72238785	VKOLITPKZMFQJJ-UHFFFAOYSA-N	273.296	1.994	5	40	CDBB	
O=[N+]([O-])[C@@H]1C2(O)C[C@@H]3C[C@H](C2)CC1(Br)C3	238639186	QNDSETZPPRFNAG-OGEDHVIESA-N	276.130	1.720	5	40	CDBB	
CCOC(=O)CN1C[C@H]([N+](=O)[O-])c2ccccc21	98175534	OUXUEROZNHBNBZ-NSHDSACASA-N	250.254	1.388	5	40	CDBB	
O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1	100057046	KSKYUERSKUVUJX-VDUILEQBSA-N	299.286	1.411	5	40	CDBB	
Cc1cnc(NC(=O)[C@@H](C)Cn2cc([N+](=O)[O-])cn2)s1	2791490	CTUIAKVMPPNXSJ-ZETCQYMHSA-N	295.324	1.831	5	40	CDBB	
NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	3268004	DGFKDNXGDXZIMP-JXMROGBWSA-N	293.304	1.590	5	40	CDBB	
O=[N+]([O-])c1cnc(NCc2ccccn2)nc1NC1CC1	26690808	BIGSAGGYWRDNFO-UHFFFAOYSA-N	286.295	1.966	5	40	CDBB	
O=C(O)CCn1cc([N+](=O)[O-])c(C(F)(F)F)n1	2537834	PNTHOGCMEJAGNP-UHFFFAOYSA-N	253.136	1.285	5	40	CDBB	
O=CN1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1	5590593	NLRIKMMRAZECJZ-UHFFFAOYSA-N	294.336	1.066	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1N(CCO)Cc1ccsc1	76063706	CBYGZHSKWXYPLI-UHFFFAOYSA-N	282.325	1.389	5	40	CDBB	
CCOC(=O)Cc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1	32616687	CLHLWUYFQRBKFH-UHFFFAOYSA-N	276.252	1.486	5	40	CDBB	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)N	79420950	BNQPIZYSSXVRFY-JTQLQIEISA-N	265.313	1.679	5	40	CDBB	
NC(=O)[C@@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1	97375145	JQUUSPNPBYIGSU-CHWSQXEVSA-N	277.324	1.729	5	40	CDBB	
C[C@@H](O)CCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	1557946	CXYZURRQMHSMIT-RITPCOANSA-N	280.535	1.789	5	40	CDBB	
Cc1cccc2nc(Cn3ccc(=O)c([N+](=O)[O-])c3)cn12	96468016	WUUBFTJEBZTXBO-UHFFFAOYSA-N	284.275	1.761	5	40	CDBB	
C[C@]1(CO)CCC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-]	76061164	FUSOGUYXVOTUJU-TZMCWYRMSA-N	293.323	1.657	5	40	CDBB	
COC(=O)c1cc(C(=O)NC2(C)CC2)cc([N+](=O)[O-])c1	76017185	VBLWULQEEGGWAN-UHFFFAOYSA-N	278.264	1.664	5	40	CDBB	
CC(C)N(CCO)C(=O)Cc1cccc([N+](=O)[O-])c1	84597266	XUMBDHNJDXZYSE-UHFFFAOYSA-N	266.297	1.367	5	40	CDBB	
O=C(NCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])n[nH]1	5635203	ZYWJIHTXMKCFLO-UHFFFAOYSA-N	280.671	1.901	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1	1670442	DKKVCVZREVPWAW-UHFFFAOYSA-N	282.281	1.129	5	40	CDBB	
O=C1N[C@@H](c2csc([N+](=O)[O-])c2)Nc2ncccc21	69485864	OYJIVGZMPHAETG-VIFPVBQESA-N	276.277	1.905	5	40	CDBB	
O=[N+]([O-])c1cccnc1N(C[C@H]1CCOC1)C1CC1	97379212	FJOLLDVTKJQJRR-SNVBAGLBSA-N	263.297	1.995	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCc2nncn2C2CC2)nc1	75141931	AJEMQLAAVYXLSS-UHFFFAOYSA-N	274.284	1.571	5	40	CDBB	
Cc1nc([N+](=O)[O-])c(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)n1C	108173399	NVRFYHFXIBFULF-QWRGUYRKSA-N	296.371	1.870	5	40	CDBB	
CCN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	5250255	YQLFHJANZAZNHA-LBPRGKRZSA-N	284.337	1.608	5	40	CDBB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ncc([N+](=O)[O-])s1	100487913	DYDUEZDUGQXVHR-UXXCCHNYSA-N	291.288	1.363	5	40	CDBB	
CN(C)C(=O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1	22996613	JCFALJQAHHXMHQ-UHFFFAOYSA-N	260.253	1.482	5	40	CDBB	
Cc1cc(NC[C@H]2COCCO2)ccc1[N+](=O)[O-]	37999470	ITFGUDUDWWZHIH-NSHDSACASA-N	252.270	1.731	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCCC2)cc1NCCO	4003287	YRGZDCSTBRNJRW-UHFFFAOYSA-N	251.286	1.599	5	40	CDBB	
CN(C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1	9385147	PSOSTTFAVGFJAR-UHFFFAOYSA-N	252.274	1.278	5	40	CDBB	
COc1cc(COC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])ccc1C	77961175	ZCDGJVICAUHVBY-QWRGUYRKSA-N	265.265	1.712	5	40	CDBB	
CN(C)c1nc2ccc([N+](=O)[O-])cc2nc1N(C)C	3157370	QITONRJFFZUTIN-UHFFFAOYSA-N	261.285	1.670	5	40	CDBB	
CC(=O)c1ccc(NC[C@H]2COCCO2)c([N+](=O)[O-])c1	44977112	QQADMXZUTSXOQB-NSHDSACASA-N	280.280	1.625	5	40	CDBB	
Cc1ccc(OCCN2CCOC2=O)c([N+](=O)[O-])n1	28188046	NRZBTIBWCHZPTC-UHFFFAOYSA-N	267.241	1.129	5	40	CDBB	
CC(C)CCn1ccc2nc3ccn(N)c(=O)c3cc2c1=O	40398606	PLHKKLGTXLNLPW-UHFFFAOYSA-N	298.346	1.471	5	40	CDBB	
COc1cc(N2CCOC[C@@H]2C)ccc1[N+](=O)[O-]	96429158	YAFUGJFSIIGIMA-VIFPVBQESA-N	252.270	1.829	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H](C)C2)n1	13778338	URPVFNJWONTIDF-OCAPTIKFSA-N	280.332	1.491	5	40	CDBB	
CCOc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-]	6412400	VIPURLREKFJNCL-UHFFFAOYSA-N	290.279	1.647	5	40	CDBB	
O=c1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c2ccccc12	14199922	BVVLLTXDGBAGJZ-UHFFFAOYSA-N	283.243	1.587	5	40	CDBB	
O=[N+]([O-])c1[nH]nc(C2CC2)c1I	72339163	JIPOVNMDGOWHTI-UHFFFAOYSA-N	279.037	1.800	5	40	CDBB	
O=C(O)c1nn(-c2ccc(Cl)cc2)nc1[N+](=O)[O-]	89263374	YVHMCTJJOOTGBI-UHFFFAOYSA-N	268.616	1.527	5	40	CDBB	
CC1=NN(c2ccccc2)C(=O)[C@@]12[C@H](C)[C@H]2[N+](=O)[O-]	5370110	SIWDEOAYYTUWNB-DYLAAIIWSA-N	259.265	1.691	5	40	CDBB	
COc1cc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])cc1F	79099291	DDDFVDUAVLAZRL-UHFFFAOYSA-N	297.286	1.444	5	40	CDBB	
CC(=O)c1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1	4224500	IZGKREDECIAQTR-UHFFFAOYSA-N	273.252	1.913	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1NCCN1CCCCC1	4730288	PVALZSMWAJBNJP-UHFFFAOYSA-N	253.306	1.226	5	40	CDBB	
C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccsc1	84638477	YOPXOIVIDDPXOE-LBPRGKRZSA-N	296.304	1.887	5	40	CDBB	
Cn1cnnc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1	130297944	CUKRTEAEURXHAT-UHFFFAOYSA-N	287.323	1.888	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1Sc1nnc2n1CCCCC2	65504576	FYHONUQJBNOBLA-UHFFFAOYSA-N	294.340	1.797	5	40	CDBB	
Cc1nc(N[C@@H]2CCCCNC2=O)ccc1[N+](=O)[O-]	95414842	SNMAZKIDJIRPSI-SECBINFHSA-N	264.285	1.379	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(O)ccc2c1O	16952051	OKFFTJMTNOFVCY-UHFFFAOYSA-N	251.154	1.462	5	40	CDBB	
C[N+](C)(C)CCC[N+]1(C)C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	104269235	KKHPAYCBXYKMHV-RDEFKLACSA-N	250.430	1.981	5	40	CDBB	
O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1	5513319	OLFLFCAHZFGBNS-UHFFFAOYSA-N	277.324	1.811	5	40	CDBB	in-vitro
CC(=O)NC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	67419366	ZTUCQNGWWDJOKP-CYBMUJFWSA-N	291.351	1.943	5	40	CDBB	
COc1ccc(CN(C)CC(C)(C)O)cc1[N+](=O)[O-]	71897029	WFIRCOAZTWPCFR-UHFFFAOYSA-N	268.313	1.806	5	40	CDBB	
CCOC(=O)c1sc2c(C)cc([N+](=O)[O-])cc2[n+]1[O-]	39377252	MINDCUAINYYEOE-UHFFFAOYSA-N	282.277	1.928	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC	38342247	QZEUGIVGZSEOAF-UHFFFAOYSA-N	256.170	1.298	5	40	CDBB	
O=[N+]([O-])c1ccn(C[C@H](O)COCc2cccs2)n1	152238618	RBHXOPXMJASJMM-VIFPVBQESA-N	283.309	1.431	5	40	CDBB	
CONC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	45013935	OTPWIYVJOJSJCV-UHFFFAOYSA-N	262.225	1.072	5	40	CDBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccco1	67949384	WCRBYTCYAPPAMP-UHFFFAOYSA-N	297.292	1.447	5	40	CDBB	
COCCOCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C	71799864	RBUDVCTWICXMFO-SNVBAGLBSA-N	294.307	1.535	5	40	CDBB	
Nn1cnnc1Sc1c(Cl)cccc1[N+](=O)[O-]	70462293	GYKXBFBERQASPI-UHFFFAOYSA-N	271.689	1.705	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1Cc1noc(-c2ccco2)n1	31672623	RSNJIICKTNDSHX-UHFFFAOYSA-N	288.219	1.448	5	40	CDBB	
O=[N+]([O-])c1ccc(-n2nnnc2N2CCCCC2)cc1	4344221	DZYIQGYAOCBTEV-UHFFFAOYSA-N	274.284	1.561	5	40	CDBB	
CC(=O)Nc1nnc(COc2ccc([N+](=O)[O-])cc2)s1	5529499	JCABNQMBZQFCNM-UHFFFAOYSA-N	294.292	1.984	5	40	CDBB	
CC(C)(C)NC(=O)CNc1ccccc1[N+](=O)[O-]	7366557	QEHRKRLIXJBSME-UHFFFAOYSA-N	251.286	1.921	5	40	CDBB	
CCc1ncc(NC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])cn1	95448163	AWGVPXSUFASARL-UHFFFAOYSA-N	290.283	1.485	5	40	CDBB	
O=C(NCCc1nc[nH]n1)Nc1cccc([N+](=O)[O-])c1	76018075	VFYNDXVBJCRRBE-UHFFFAOYSA-N	276.256	1.077	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnccn1	32816856	QOGBPFHXIXXEQK-UHFFFAOYSA-N	272.264	1.657	5	40	CDBB	
O=[N+]([O-])c1ccc(NC(=S)NCc2cccnc2)nc1	223937064	SQINDXNQNXLSCQ-UHFFFAOYSA-N	289.320	1.871	5	40	CDBB	
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1O	96055647	YCORTVKYQADVAR-UHFFFAOYSA-N	277.236	1.663	5	40	CDBB	
C[C@H](O)C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@@H]12	254321254	ZSOWTAJVTXSYKL-ABHRYQDASA-N	256.366	1.320	5	40	CDBB	
Cc1nc2cc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])ccc2o1	47270602	KTWWXYHDTYRDEL-WPRPVWTQSA-N	261.237	1.740	5	40	CDBB	
O=C(O)CNCc1c2ccccc2[n+]([O-])c2ccccc12	5884166	JSUQESUMPVIEEY-UHFFFAOYSA-N	282.299	1.801	5	40	CDBB	
O=[N+]([O-])c1nc(Br)n(F)c1[N+](=O)[O-]	5543098	MELVVRWBKAEMRH-UHFFFAOYSA-N	254.959	1.195	5	40	CDBB	
CC(C)OCCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1	9883829	XGRLUFHVDNPCCK-UHFFFAOYSA-N	281.312	1.722	5	40	CDBB	
CCn1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1	558465	YLNOXHJANYMSIQ-UHFFFAOYSA-N	296.674	1.507	5	40	CDBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1nccs1	25403830	XBRSNLQLPZKZRN-UHFFFAOYSA-N	280.265	1.464	5	40	CDBB	
COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])o2)cn1	65498524	QMHXOEQRNWCHJA-UHFFFAOYSA-N	277.236	1.868	5	40	CDBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCNCC1	32048705	CQRVKNOINFRLEU-UHFFFAOYSA-N	269.688	1.294	5	40	CDBB	
COc1ccc(NC(=O)NC2CC2)cc1[N+](=O)[O-]	96501353	NKUSQCXFVGKXMF-UHFFFAOYSA-N	251.242	1.887	5	40	CDBB	
CC(C)(C)C(=O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1	95446604	JNEFVAVCXXQUDK-UHFFFAOYSA-N	278.308	1.869	5	40	CDBB	
O=C(O)/C=C/c1coc2ccc([N+](=O)[O-])cc2c1=O	6222159	QFELLHJNFUMHGA-DAFODLJHSA-N	261.189	1.799	5	40	CDBB	
O=C1NC(=O)/C(=C\c2ccccc2[N+](=O)[O-])S1	1686312	AOOOVMMYAYKAGI-VMPITWQZSA-N	250.235	1.919	5	40	CDBB	
Cn1c(=O)c2c(O)c(C=O)c(=O)oc2c2ccccc21	31861	IBHYGMFCGMWTNY-UHFFFAOYSA-N	271.228	1.163	5	40	CDBB	
O=C(NC[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1	42309513	SJLJGCPMRGBRMJ-VIFPVBQESA-N	265.269	1.753	5	40	CDBB	
COc1nc(-c2ccc([N+](=O)[O-])cc2)oc(=O)c1C	6280094	RIUTVZOXJRWOSB-UHFFFAOYSA-N	262.221	1.927	5	40	CDBB	
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	60645091	KTZXSNFCMLFXNU-UHFFFAOYSA-N	250.254	1.634	5	40	CDBB	
C[C@@H](SC[C@H](O)CO)c1cccc([N+](=O)[O-])c1	95407574	DJPFJEDLYNVTKB-LDYMZIIASA-N	257.311	1.742	5	40	CDBB	
CCOC(=O)C1=C(O)C(=O)O[C@H]1c1ccc([N+](=O)[O-])cc1	6655270	KLCGPXXITDDILW-NSHDSACASA-N	293.231	1.568	5	40	CDBB	
O=[N+]([O-])c1ccc(CCS(=O)(=O)NC2CC=CC2)cc1	96002007	FMVULTPWUNPMLT-UHFFFAOYSA-N	296.348	1.775	5	40	CDBB	
O=c1[nH]c2cc3nc4ccccc4nc3cc2[nH]c1=O	16545555	JWXXCPWITVCEGR-UHFFFAOYSA-N	264.244	1.313	5	40	CDBB	
O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	36046386	VYHCUDLEIGISHF-IWDIQUIJSA-N	286.243	1.038	5	40	CDBB	
CNC(=O)[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1	49238488	IVHXMMSJHZDYQR-ZDUSSCGKSA-N	277.324	1.348	5	40	CDBB	
Cc1ccnc(N2CC[C@@]3(CCOC3)C2)c1[N+](=O)[O-]	96462104	IXPBOTLJEOGYDS-CYBMUJFWSA-N	263.297	1.915	5	40	CDBB	
COC(=O)c1cc(=O)c2c(ccc3oc(=O)ccc32)[nH]1	5386985	KZCKCTCVCKQAJF-UHFFFAOYSA-N	271.228	1.421	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(C)n1	32517159	VHYOJAWGQKHFRI-UHFFFAOYSA-N	288.263	1.249	5	40	CDBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccn1	32842879	FAQMLMBPXAUJIJ-UHFFFAOYSA-N	286.291	1.962	5	40	CDBB	
CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CCC[N+](C)(C)C)C2=O	104391590	LVXBKXCSVKURTI-LRDDRELGSA-N	281.420	1.894	5	40	CDBB	
COC(=O)/C=C1\Nc2ccc([N+](=O)[O-])cc2NC1=O	104187609	HVJMKVJDEGUEKN-UITAMQMPSA-N	263.209	1.016	5	40	CDBB	
Cc1noc(CCNC(=O)c2cccc([N+](=O)[O-])c2C)n1	65575250	VKENMMKXVWCCQB-UHFFFAOYSA-N	290.279	1.567	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)OCc1ccccc1	4912805	VBYUMFYLISLGGV-UHFFFAOYSA-N	275.264	1.843	5	40	CDBB	
Cn1nccc1CCNC(=O)c1ccc([N+](=O)[O-])cc1O	97097839	KVFVJZIELZTELZ-UHFFFAOYSA-N	290.279	1.006	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(N)=O)C(C)C)c1	89611908	WKNGUKJOGYRYME-NSHDSACASA-N	279.296	1.143	5	40	CDBB	
CCCNC(=O)[C@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-]	32850574	QFSRWSPPGPNKBG-JTQLQIEISA-N	294.307	1.975	5	40	CDBB	
C[C@H]1CCNC(=O)[C@H]1NCc1ccc([N+](=O)[O-])cc1	193566676	CFRFHLPKYKUNBU-CABZTGNLSA-N	263.297	1.209	5	40	CDBB	
CCn1nc([N+](=O)[O-])cc1I	953025492	PMXTYHZMJNOQJP-UHFFFAOYSA-N	267.026	1.416	5	40	CDBB	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C=O	16363696	RTRJQSOFOHOUTJ-UHFFFAOYSA-N	265.254	1.082	5	40	CDBB	
COc1ccc(COC[C@H](O)C[N+]2(C)CCOCC2)cc1	3065922	RATAFUMJRBHDMX-OAHLLOKOSA-N	296.387	1.050	5	40	CDBB	
CON(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C	23054806	GBINGAAPXXBXPJ-UHFFFAOYSA-N	253.258	1.294	5	40	CDBB	
N=c1ccccn1CC(=O)c1cccc([N+](=O)[O-])c1	105125003	LJZGURKWMGMSCI-UHFFFAOYSA-N	257.249	1.759	5	40	CDBB	
Cc1nnc(COC(=O)COc2ccccc2[N+](=O)[O-])o1	24904586	FNMKWIHXAYGZHA-UHFFFAOYSA-N	293.235	1.408	5	40	CDBB	
C[C@@H]1CCCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-]	12997754	HGXLTUMRMMOLGO-SNVBAGLBSA-N	288.307	1.982	5	40	CDBB	
COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)N=N1	4142519	SGEOZVGQACJWTP-VIFPVBQESA-N	250.214	1.324	5	40	CDBB	
CCNCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4180619	BQOCSKAYCFGAQT-UHFFFAOYSA-N	254.246	1.524	5	40	CDBB	
O=c1c2cccnc2ncn1Cc1csc([N+](=O)[O-])c1	71799411	WVUCEAUHOMHYQC-UHFFFAOYSA-N	288.288	1.810	5	40	CDBB	
COC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	96997787	JAUUJFKYIVJWEL-ZETCQYMHSA-N	282.227	1.260	5	40	CDBB	
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	46229812	QNFGZAGNZSFBQG-UHFFFAOYSA-N	288.325	1.634	5	40	CDBB	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn(C)cc1[N+](=O)[O-]	2778519	CBYVRPITMYJPTK-RKDXNWHRSA-N	266.301	1.731	5	40	CDBB	
O=C(NC1CCC2(CC1)OCCO2)c1cc([N+](=O)[O-])c[nH]1	56327404	QRSNSWVYDHGWTN-UHFFFAOYSA-N	295.295	1.338	5	40	CDBB	
Cn1ccs/c1=N\C(=O)c1csc([N+](=O)[O-])c1	44312052	GFFSDCXBJWVKII-KTKRTIGZSA-N	269.307	1.797	5	40	CDBB	
O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1ccnc1	96009530	FOSGHMMAEBMIFR-JTQLQIEISA-N	263.253	1.231	5	40	CDBB	
O=[N+]([O-])c1cc(Br)cnc1[C@@H]1CCNC1	71790998	YXSSIQVKYYTXGR-ZCFIWIBFSA-N	272.102	1.829	5	40	CDBB	in-vitro
O=C(COc1cccc([N+](=O)[O-])c1)NO[C@@H]1CCCCO1	69417286	WKMFGKNJWABEIA-CYBMUJFWSA-N	296.279	1.548	5	40	CDBB	
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H](c2ccccc2)C1	84525498	IOOHKUMRLSBHLM-XQQFMLRXSA-N	260.293	1.668	5	40	CDBB	
CO[C@@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cn2)n1	96449437	DMUOXGYRANRGNK-QMMMGPOBSA-N	293.283	1.717	5	40	CDBB	
O=[N+]([O-])c1ccccc1N1CCCS(=O)(=O)CC1	96413744	PWDRTPVAJRWCAI-UHFFFAOYSA-N	270.310	1.220	5	40	CDBB	
CCCNc1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)O	256046777	IAGYRBJTLIDARJ-UHFFFAOYSA-N	291.267	1.696	5	40	CDBB	
Cc1cccc(C(=O)N2CCC[C@H](O)C2)c1[N+](=O)[O-]	26242669	RKOCRVXKKMVNRM-JTQLQIEISA-N	264.281	1.500	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(O)cc1O	31671795	JBAJCKSGRSWHBO-UHFFFAOYSA-N	290.231	1.051	5	40	CDBB	
O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]c1	37668706	QYCIWHPWYAMCTB-UHFFFAOYSA-N	273.248	1.213	5	40	CDBB	
O=C1C[C@@H](c2ccccc2[N+](=O)[O-])C2=C(COC2=O)N1	1403340	CMFRQZYHXHDEEQ-QMMMGPOBSA-N	274.232	1.009	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1	1509329	XCDAHECADGUHPH-UHFFFAOYSA-N	255.173	1.888	5	40	CDBB	
O=C(Nc1nc(C2CC2)cs1)[C@H]1C[C@@H]1[N+](=O)[O-]	44487550	VOMZNOZRDNTUPM-XPUUQOCRSA-N	253.283	1.624	5	40	CDBB	
CC1=CC[C@H]2C(=O)N(CC[N+](C)(C)C)C(=O)[C@@H]2C1	104388127	YXVGUNYRDCAJEU-VXGBXAGGSA-N	251.350	1.034	5	40	CDBB	
Cc1nn(C)c(N2CCC(n3ccnc3)CC2)c1[N+](=O)[O-]	71899526	UFOVKGPXDKGSSC-UHFFFAOYSA-N	290.327	1.675	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	48314741	WRODYDKUIPADJR-UHFFFAOYSA-N	289.247	1.445	5	40	CDBB	
O=C(O)/C=C/C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	164256	OZZUVTAMUUOPOJ-ONEGZZNKSA-N	270.628	1.828	5	40	CDBB	in-vitro
C[C@H](Nc1ccc([N+](=O)[O-])c2nonc12)C(=O)O	5664777	KWAIYUDRTUOOPG-BYPYZUCNSA-N	252.186	1.016	5	40	CDBB	
Cc1n[nH]c(SCC(=O)N2CCCC2)c1[N+](=O)[O-]	5988296	XZPGAKQLKPVQGL-UHFFFAOYSA-N	270.314	1.341	5	40	CDBB	
Cc1nn([C@@H](C)C(=O)Nc2nccs2)cc1[N+](=O)[O-]	2781008	CRMYXZXSFWFFCD-ZETCQYMHSA-N	281.297	1.756	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)NC2CCCC2)n1	2759951	AZNBXOHUXNSREM-UHFFFAOYSA-N	252.274	1.484	5	40	CDBB	
NC(=O)N(c1ccc([N+](=O)[O-])cc1)N1CCCCC1	4958311	OOHOANDONRNYRO-UHFFFAOYSA-N	264.285	1.881	5	40	CDBB	
C[C@H]1C[C@@H]1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1	10890382	NFFXIVXSFWSMCM-CABZTGNLSA-N	292.291	1.757	5	40	CDBB	
COC(=O)c1ccn(COc2cc(F)ccc2[N+](=O)[O-])n1	2537034	JAEPYPBHFMDJQH-UHFFFAOYSA-N	295.226	1.754	5	40	CDBB	
Nc1cc([N+](=O)[O-])ccc1S[C@@H]1CCS(=O)(=O)C1	4107578	SDSCXSBPOQSXNN-MRVPVSSYSA-N	288.350	1.456	5	40	CDBB	
NC(=O)CCn1cc(-c2ccccc2[N+](=O)[O-])cn1	96009541	RPKJIGKBQMDRNZ-UHFFFAOYSA-N	260.253	1.334	5	40	CDBB	
Cc1[nH]nc(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-]	69569880	KKIBWPXLHAOVIZ-UHFFFAOYSA-N	286.291	1.825	5	40	CDBB	
NCC(=O)Nc1cccc2nc3ccccc3nc12	85390711	PTABYGPVDGBUQQ-UHFFFAOYSA-N	252.277	1.680	5	40	CDBB	
Nc1cc(I)ccc1[N+](=O)[O-]	97447164	FQPPKORVTBLTBX-UHFFFAOYSA-N	264.022	1.782	5	40	CDBB	
CCOc1ccc(C(=O)COC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1	32933341	RHMGFXKVVWOSIG-NEPJUHHUSA-N	293.275	1.476	5	40	CDBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)N1CCCC1	2780417	BGYNRVLVUYWLMU-UHFFFAOYSA-N	252.274	1.112	5	40	CDBB	
Cc1onc(C(=O)O)c1Cn1nc([N+](=O)[O-])cc1C	12357826	PTZDOCAYXXHKEB-UHFFFAOYSA-N	266.213	1.143	5	40	CDBB	
CC(C)(CO)Nc1cc(Cl)c2nonc2c1[N+](=O)[O-]	4894755	GHQMPYKRIJQGNT-UHFFFAOYSA-N	286.675	1.967	5	40	CDBB	
O=C(O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	12505759	OYTOPXTXZVALGC-ZCFIWIBFSA-N	268.200	1.171	5	40	CDBB	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	3238456	BKXIJQBHXIPDSG-KCJUWKMLSA-N	278.264	1.733	5	40	CDBB	
CCCCNC(=O)COc1ccccc1[N+](=O)[O-]	3382128	SVVQLNVBMMJPFA-UHFFFAOYSA-N	252.270	1.890	5	40	CDBB	
CCOC(=O)[C@@]1(C)Oc2cc([N+](=O)[O-])ccc2NC1=O	8729838	JFDLUXBCPNBWPZ-LBPRGKRZSA-N	280.236	1.248	5	40	CDBB	in-vitro
Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)cc1	14228256	TUPAAMGZXGMHFK-UHFFFAOYSA-N	288.263	1.285	5	40	CDBB	
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N1CCCCC1	71796030	AGKJWSFMAFTMJL-UHFFFAOYSA-N	288.307	1.957	5	40	CDBB	
O=[N+]([O-])c1cccc(OC[C@H](O)Cn2cc(Cl)cn2)c1	95438813	IGOLYGCRBCUPQQ-LLVKDONJSA-N	297.698	1.885	5	40	CDBB	
CCN(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	97085889	KCTLKQLEVCXPGP-UHFFFAOYSA-N	272.326	1.320	5	40	CDBB	
CN(C)C(=O)CCCSc1ccc([N+](=O)[O-])cn1	188122382	KQQNCJSQHBKRKG-UHFFFAOYSA-N	269.326	1.950	5	40	CDBB	
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)CO1	45523640	FYMBGDBJJJGKLL-HTQZYQBOSA-N	254.242	1.437	5	40	CDBB	
CC(C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	5380560	HFYHGGZLDAECSI-UHFFFAOYSA-N	258.299	1.529	5	40	CDBB	
COc1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1	72332085	CCQMQKUWWHLDMK-UHFFFAOYSA-N	290.279	1.747	5	40	CDBB	
C[N@+]12CCCC[C@H]1[C@H](COC(=O)C1CCNCC1)CCC2	254291991	CUEHRXOORKFAMS-TXPKVOOTSA-N	295.447	1.938	5	40	CDBB	
CC[C@H](C(=O)O)n1nc([N+](=O)[O-])cc1Br	953009619	IXXHWJWOBCGNLD-SCSAIBSYSA-N	278.062	1.590	5	40	CDBB	
Nc1nc(N2CCO[C@@H]3CCCC[C@@H]32)ncc1[N+](=O)[O-]	96453985	RKCRJSPVHGRCFM-WCBMZHEXSA-N	279.300	1.115	5	40	CDBB	
Cn1c(=O)c2nc3ccc4ccccc4c3nc2n(C)c1=O	1270174	GJOHJQJTTFRJRD-UHFFFAOYSA-N	292.298	1.334	5	40	CDBB	
C[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	79420971	OSTWPHZYQKBOAG-VIFPVBQESA-N	263.297	1.433	5	40	CDBB	
CCOC(=O)C[C@@H](n1ccc([N+](=O)[O-])n1)C(F)(F)F	685936658	OFBCGEPFWBVNSJ-ZCFIWIBFSA-N	281.190	1.848	5	40	CDBB	
NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccc1[N+](=O)[O-]	106518557	BJTDPZWRFIXVIZ-NHCYSSNCSA-N	290.323	1.613	5	40	CDBB	
O=c1sc2ncccc2n1-c1ccc([N+](=O)[O-])cn1	13207902	ATUDQQCICWKFHO-UHFFFAOYSA-N	274.261	1.750	5	40	CDBB	
CNc1cc(OC)c([N+](=O)[O-])c(C(=O)OC)c1[N+](=O)[O-]	5334870	OVBAKBKCQNARNC-UHFFFAOYSA-N	285.212	1.340	5	40	CDBB	
COc1cc(COC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])ccc1C	77961174	ZCDGJVICAUHVBY-MNOVXSKESA-N	265.265	1.712	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC(O)C1	78804779	NHPXXRLXRZQMBW-UHFFFAOYSA-N	284.243	1.092	5	40	CDBB	
COC(=O)C12CC3C[C@H](C1)C([N+](=O)[O-])([N+](=O)[O-])[C@H](C3)C2	100702827	YDTIVVNGPGKAFR-VCZAYRLQSA-N	284.268	1.235	5	40	CDBB	
CC(C)Oc1nn(C[C@H](C)C(=O)O)cc1[N+](=O)[O-]	408717391	ZJHRJUTVXFLCOH-ZETCQYMHSA-N	257.246	1.299	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C	60019221	BVGJYUJWRVBQAQ-UHFFFAOYSA-N	253.258	1.104	5	40	CDBB	
CC(=O)Nc1nc(Sc2ccc([N+](=O)[O-])cc2)n[nH]1	30823061	GFBUWNISJRQABW-UHFFFAOYSA-N	279.281	1.823	5	40	CDBB	
O=[N+]([O-])c1ncn(Cc2cc(-c3ccccc3)no2)n1	48603212	HPQCZJXWJLEQNN-UHFFFAOYSA-N	271.236	1.890	5	40	CDBB	
COC[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-]	8317628	QERWBIHZVYXEES-ZCFIWIBFSA-N	256.287	1.751	5	40	CDBB	
O=[N+]([O-])c1c(NCc2cc[nH]n2)nc2ccccn12	72270846	GKJQLKWENMXDNA-UHFFFAOYSA-N	258.241	1.578	5	40	CDBB	
O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1nc(C2CC2)n[nH]1	95986604	ZRWXOMNUOMKTDC-UHFFFAOYSA-N	295.686	1.454	5	40	CDBB	
COC(=O)c1c([N+](=O)[O-])cnn1Cc1ccccc1	72233521	ZCYVTKYDEOKZLZ-UHFFFAOYSA-N	261.237	1.626	5	40	CDBB	
O=[N+]([O-])c1ccc(OCC[C@H]2CCCCN2)nc1	42774156	LTBYYDKHQDCFMB-SNVBAGLBSA-N	251.286	1.901	5	40	CDBB	
COC(=O)[C@@H]1O[C@H]1c1cc([N+](=O)[O-])ccc1OC	1704604	ZFSZGUBDAZQINV-VHSXEESVSA-N	253.210	1.216	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CC2)cc1C1=NCCO1	4774377	BBLVURDQPDFSEY-UHFFFAOYSA-N	278.224	1.100	5	40	CDBB	
O=C(NCc1nc[nH]n1)Nc1ccc([N+](=O)[O-])cc1Cl	58355614	LESIZGRGEXXQEQ-UHFFFAOYSA-N	296.674	1.688	5	40	CDBB	
C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NC1CC1	5709988	LULVLYMLDMMIFV-SSDOTTSWSA-N	293.279	1.001	5	40	CDBB	
CC(=O)NC[C@H]1CN(c2ccc(C)cc2[N+](=O)[O-])CCO1	95406103	QQEWEXZKNVKSQI-LBPRGKRZSA-N	293.323	1.245	5	40	CDBB	
COC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1	76063667	KOBLJWVDCCKSTH-SNVBAGLBSA-N	265.269	1.847	5	40	CDBB	
O=C(O)c1cc(N2CCOCC2)c(F)cc1[N+](=O)[O-]	42684300	SHTVGSIBIUFYTN-UHFFFAOYSA-N	270.216	1.269	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\C(=O)O	6090882	MRKPTXZBUGDKNJ-PLNGDYQASA-N	266.209	1.183	5	40	CDBB	
COc1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1	19972697	XVTSTCFSBZEFPT-UHFFFAOYSA-N	295.339	1.738	5	40	CDBB	
CCOC(=O)[C@@]1(C)O[C@H]1c1ccc([N+](=O)[O-])cc1	1564170	KPBGEZBSAVNMJI-JQWIXIFHSA-N	251.238	1.988	5	40	CDBB	
CN(C)c1ccc2nc3c(=O)[nH]c(=S)[nH]c3nc2c1	6265824	WZSALLUEIXDIGG-UHFFFAOYSA-N	273.321	1.595	5	40	CDBB	
CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])cc1Cl	7981556	HJIIGSCIEDJUEN-UHFFFAOYSA-N	271.704	1.773	5	40	CDBB	
O=C(NCC1CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	97081241	DAGWURTUDKHGLT-ZDUSSCGKSA-N	289.291	1.614	5	40	CDBB	
O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc2nnnn2n1	22202719	OWRBCEMGFZWVJI-UHFFFAOYSA-N	292.642	1.873	5	40	CDBB	
CCc1n[nH]c(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])n1	70462359	OJYAMFAZQXAQDM-UHFFFAOYSA-N	293.308	1.525	5	40	CDBB	
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](N)C(C)C	79421020	GCXSEUSAJIXIDP-ZDUSSCGKSA-N	279.340	1.927	5	40	CDBB	
CC[C@H]([C@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	96519545	QTVSBUJGYPGQBI-VXGBXAGGSA-N	287.337	1.842	5	40	CDBB	
C[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)[S@](C)=O	97103722	LYBYAJXTPUUHCI-GSDQLPOLSA-N	299.352	1.873	5	40	CDBB	
O=C(NCc1ccc(-c2ccn[nH]2)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-]	84402984	WNSHMXRUSXDLTK-YPMHNXCESA-N	286.291	1.358	5	40	CDBB	
Cc1c(C(=O)NC[C@H]2CCCO2)cccc1[N+](=O)[O-]	321540	PUANBFSMGODXDV-SNVBAGLBSA-N	264.281	1.812	5	40	CDBB	
CCOc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	103466754	AOZXETLGPZAZNK-UHFFFAOYSA-N	257.158	1.810	5	40	CDBB	
O=C(C[C@H]1SC(=O)NC1=O)Nc1cccc([N+](=O)[O-])c1	1238412	HVGXTCMOMGFTPO-MRVPVSSYSA-N	295.276	1.275	5	40	CDBB	
CNC(=O)NC(=O)CCSCc1cccc([N+](=O)[O-])c1	32778653	NAZPBMSPKKGRSG-UHFFFAOYSA-N	297.336	1.674	5	40	CDBB	
Cc1cc(NC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)no1	9605155	JZXHGJIIJCWBJU-SECBINFHSA-N	293.283	1.904	5	40	CDBB	
O=C(O)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	15443210	ZJSIMOSUXMPINC-SECBINFHSA-N	250.254	1.896	5	40	CDBB	
CNC(=O)[C@@H](Nc1cc(F)ccc1[N+](=O)[O-])C(C)C	302823715	VHMAGGZHQSTJEU-NSHDSACASA-N	269.276	1.916	5	40	CDBB	
Cc1nnc(NC(=O)[C@@H](C)Cn2cc([N+](=O)[O-])cn2)s1	2790979	RLEBXNQLOLBBDH-LURJTMIESA-N	296.312	1.226	5	40	CDBB	
COc1cccc(NC(=O)CCn2cnc([N+](=O)[O-])c2)c1	24249136	CEVJMSSEYPTKPM-UHFFFAOYSA-N	290.279	1.829	5	40	CDBB	
Cn1ccnc1-c1nn(C)c2ccc([N+](=O)[O-])cc12	11906209	BHGUDFBQAXKXCP-UHFFFAOYSA-N	257.253	1.882	5	40	CDBB	
Cc1ccccc1CNC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1	95994865	UQMBGKXIZWNQLN-NSHDSACASA-N	288.307	1.977	5	40	CDBB	
Cc1nc(NCCO)nc(Nc2ccccc2)c1[N+](=O)[O-]	38488485	AIGQHQWUTPXEFP-UHFFFAOYSA-N	289.295	1.841	5	40	CDBB	
O=c1nc2c3ccccc3nnn2nc1-c1ccc(F)cc1	89872969	MBZQBJXTIZJIFE-UHFFFAOYSA-N	293.261	1.839	5	40	CDBB	
Cc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)[nH]1	14115992	AMXKBSNDKCODLB-UHFFFAOYSA-N	280.265	1.871	5	40	CDBB	
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ncc([N+](=O)[O-])s1	18046071	DYDUEZDUGQXVHR-RNMOGIQJSA-N	291.288	1.363	5	40	CDBB	
COC(=O)C12CC3C[C@@H](C1)C([N+](=O)[O-])([N+](=O)[O-])[C@H](C3)C2	19332253	YDTIVVNGPGKAFR-SNWHPCCYSA-N	284.268	1.235	5	40	CDBB	
C[N+](C)(C)CCC(=O)c1ccc2c(c1)OCCO2	4064778	GIOLHUVDWTVTPS-UHFFFAOYSA-N	250.318	1.737	5	40	CDBB	biogenic
COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc[nH]n1	48276194	YAKCMRYBJNLJRC-UHFFFAOYSA-N	277.236	1.684	5	40	CDBB	
Cc1ccc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1	12752284	DJRLZRWGENDWNV-UHFFFAOYSA-N	272.260	1.948	5	40	CDBB	
Cn1nnnc1SCCNCc1cccc([N+](=O)[O-])c1	16363673	TZYAZKBYJLLSGS-UHFFFAOYSA-N	294.340	1.000	5	40	CDBB	
CCCCCN1CC(=O)N[C@@H]1c1ccc([N+](=O)[O-])c(O)c1	97052967	RWCSGRJGMORDQF-AWEZNQCLSA-N	293.323	1.921	5	40	CDBB	
CC[C@@H](CO)NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	1601535	VDQMNPXXXOKWJV-AEZGRPFRSA-N	264.281	1.495	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2noc(C[n+]3ccccc3)n2)c1	152655	VKDIFEKXWIEANH-UHFFFAOYSA-N	283.267	1.981	5	40	CDBB	
Nn1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O	31620	QBBNNZYDOVLPNP-UHFFFAOYSA-N	282.259	1.686	5	40	CDBB	
Cc1ccc(-n2cnc3c(=O)[nH]cnc32)cc1[N+](=O)[O-]	8626699	NJSOQIVPYHKJBN-UHFFFAOYSA-N	271.236	1.325	5	40	CDBB	
CS(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	4151068	RQWHKEOWVRYTBP-UHFFFAOYSA-N	250.663	1.620	5	40	CDBB	
CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	4370586	RJZQKPFOBDQULU-UHFFFAOYSA-N	256.217	1.974	5	40	CDBB	
O=C(NCc1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-]	32931953	CPSBDKKLZGMSPM-NXEZZACHSA-N	254.673	1.621	5	40	CDBB	
Cc1ccc(F)cc1OC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	189468374	RVAPUFKLYHWPLH-LBPRGKRZSA-N	295.270	1.679	5	40	CDBB	
C[C@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96519323	ZWGFDFMZLMZSMT-GMSGAONNSA-N	259.283	1.061	5	40	CDBB	
COC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	280273591	ZSMBDEAOMMVYLG-UHFFFAOYSA-N	294.263	1.078	5	40	CDBB	
CN(C)C(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-]	3329872	IKKAYIKGZXHVEP-BQYQJAHWSA-N	278.264	1.239	5	40	CDBB	
O=C(NN1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-]	5670754	SJRROKFUAYUODK-UHFFFAOYSA-N	285.687	1.225	5	40	CDBB	
CN(C)C(=O)CCCSc1ncccc1[N+](=O)[O-]	187908294	UKGCWWGFTRDHLX-UHFFFAOYSA-N	269.326	1.950	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1	5816319	VAONTZIAUBJJBB-UHFFFAOYSA-N	279.252	1.668	5	40	CDBB	
C[C@H](CO)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	40526296	KCPOXQVHFTYYSD-ZCFIWIBFSA-N	273.676	1.751	5	40	CDBB	
CN(C)c1nc(N)nc(COc2cccc([N+](=O)[O-])c2)n1	21976489	HAKLZRKGJPQAFR-UHFFFAOYSA-N	290.283	1.007	5	40	CDBB	
C[C@H](O)CCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	1557947	CXYZURRQMHSMIT-NTSWFWBYSA-N	280.535	1.789	5	40	CDBB	
CCN(C[C@@H](C)C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	58440884	YEBHWDXWIGHFPV-SECBINFHSA-N	294.311	1.570	5	40	CDBB	
Cc1nnc(SCn2cc([N+](=O)[O-])cn2)s1	16989647	JNJKFFGUCGNUSJ-UHFFFAOYSA-N	257.300	1.701	5	40	CDBB	
Cn1nnnc1SCc1cn2cc([N+](=O)[O-])ccc2n1	98086771	HSZSJLPNEMJSLD-UHFFFAOYSA-N	291.296	1.058	5	40	CDBB	
COc1nn([C@@H](CC(=O)O)C(F)(F)F)cc1[N+](=O)[O-]	685936503	BVFZEEWLPQTWIZ-YFKPBYRVSA-N	283.162	1.378	5	40	CDBB	
C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1C[C@H]2CC[C@H]1C2	101157580	ONZJXTGMENCZSV-XWLWVQCSSA-N	293.327	1.127	5	40	CDBB	
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@H]2CC[C@H]1C2	109039737	XUYQBNQVKHVWSI-BJDJZHNGSA-N	292.339	1.732	5	40	CDBB	
CC(C)[C@H](NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1	2665181	QNYFBZSGIGWVBR-JTQLQIEISA-N	280.284	1.226	5	40	CDBB	
Nc1c([N+](=O)[O-])cnn1Cc1nccn1C(F)F	95416390	JRKRVVKQLVUKAI-UHFFFAOYSA-N	258.188	1.013	5	40	CDBB	
Cc1cc(=O)n(CCCN2CCCCC2)cc1[N+](=O)[O-]	187694671	AEFLEIADGBFUHK-UHFFFAOYSA-N	279.340	1.941	5	40	CDBB	
CCOC[C@H](O)CNc1ccc([N+](=O)[O-])c(C)n1	95414947	MGFBSIYIJQOOSQ-SECBINFHSA-N	255.274	1.108	5	40	CDBB	
COC(=O)c1cc(C(=O)NC(C)C)cc([N+](=O)[O-])c1	60839	WFWZWDVRJIAUMS-UHFFFAOYSA-N	266.253	1.520	5	40	CDBB	
O=[N+]([O-])c1ccc(CO)c(I)c1	1870454	UEZHUUBCMWRTBE-UHFFFAOYSA-N	279.033	1.692	5	40	CDBB	
Cc1ccc(OC[C@@H]2NCCS2)c([N+](=O)[O-])c1	20219281	HVXRYXDBZBPEJL-LLVKDONJSA-N	254.311	1.945	5	40	CDBB	
C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)O1	23330377	DQKRVMIQPZILCM-GHMZBOCLSA-N	293.323	1.643	5	40	CDBB	
CN(C)c1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n1	96006479	GAYLORORKFHHMY-UHFFFAOYSA-N	276.256	1.031	5	40	CDBB	
CC1=NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	22055917	OLEHYBVEKUSOFO-UHFFFAOYSA-N	283.309	1.326	5	40	CDBB	
O=C1NC(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)N1	409048685	UNIYAPJOOFVFRY-QHHAFSJGSA-N	283.627	1.134	5	40	CDBB	
COC[C@H](C)NC(=O)CSCc1ccc([N+](=O)[O-])cc1	408577253	XRFZJFCWOFFCHT-JTQLQIEISA-N	298.364	1.979	5	40	CDBB	
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)NC2=O)c1O	214302671	NPXGNSKYOPJSER-FPYGCLRLSA-N	296.260	1.633	5	40	CDBB	
O=[N+]([O-])c1ccc(Nc2cnn(-c3ncccn3)c2)nc1	78019810	KZAPTHVQEWDQGX-UHFFFAOYSA-N	283.251	1.709	5	40	CDBB	
CCOC[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1	193812759	VBFJFMRFSMZFBT-NSHDSACASA-N	292.295	1.251	5	40	CDBB	
CCOC(=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	46085291	IJWKFAMYSSEOGX-UHFFFAOYSA-N	276.252	1.486	5	40	CDBB	
CCS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	15443219	OJNNTANAAFVGAH-UHFFFAOYSA-N	284.337	1.989	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)C(F)F	604221605	LNIDDFLKVTWUHR-UHFFFAOYSA-N	255.173	1.730	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCCO1	2736213	YJPMLMHCHGEDEG-SECBINFHSA-N	286.309	1.052	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)Nc1cnn(C)c1C	2799028	OLJKNMHBJXMNDP-UHFFFAOYSA-N	278.272	1.105	5	40	CDBB	
O=C1C[C@@H](C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)O1	1747145	QPJTYBKOUUEXKK-SCZZXKLOSA-N	251.194	1.284	5	40	CDBB	
O=c1[nH]c(/C=C/c2ccccc2)nc(O)c1[N+](=O)[O-]	9010333	ZGXICWAPEILSTH-VOTSOKGWSA-N	259.221	1.554	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1Cl	1669670	JTZLIGVBEAGAFZ-UHFFFAOYSA-N	251.647	1.803	5	40	CDBB	
O=C(NC[C@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2053408	QAEHFUQRAUYYJY-LLVKDONJSA-N	295.251	1.412	5	40	CDBB	
CCOC(=O)[C@]1(C)Oc2cc([N+](=O)[O-])ccc2NC1=O	8729839	JFDLUXBCPNBWPZ-GFCCVEGCSA-N	280.236	1.248	5	40	CDBB	in-vitro
Cc1nc([N+](=O)[O-])c(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)n1C	95997019	NVRFYHFXIBFULF-GHMZBOCLSA-N	296.371	1.870	5	40	CDBB	
COc1ccc(-c2noc([C@H]3C[C@H]3[N+](=O)[O-])n2)cn1	78774713	IXIZWWBQHOETSF-JGVFFNPUSA-N	262.225	1.273	5	40	CDBB	
O=C(O)c1cc(OCc2cccnc2)cc([N+](=O)[O-])c1O	216846094	YPNKXMFFTRNVFU-UHFFFAOYSA-N	290.231	1.973	5	40	CDBB	
CCc1ccc(OCc2nnc(N)o2)c([N+](=O)[O-])c1	216908452	TXXUIXAHNJFYCK-UHFFFAOYSA-N	264.241	1.701	5	40	CDBB	
CS(=O)(=O)c1sc(N)nc1-c1cccc([N+](=O)[O-])c1	96532969	ITVSNDNBIMRSDP-UHFFFAOYSA-N	299.333	1.704	5	40	CDBB	
CC(C)n1ncc([N+](=O)[O-])c1I	675031447	KLMHRTFLNWJUPN-UHFFFAOYSA-N	281.053	1.977	5	40	CDBB	
O=C(O)C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)O	16401831	JNQHDZIVPHGFML-SECBINFHSA-N	285.277	1.756	5	40	CDBB	
CC(C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	7212269	BELXERWGSDRFLI-VIFPVBQESA-N	272.326	1.918	5	40	CDBB	
CCCn1nnnc1COc1ccc(C)nc1[N+](=O)[O-]	7229543	XMVVYIMVLJDNPH-UHFFFAOYSA-N	278.272	1.274	5	40	CDBB	
Cc1cccc2c(=O)c3c(O)cc(OCC(N)=O)cc3oc12	8510809	QFVMBRPJZALENC-UHFFFAOYSA-N	299.282	1.824	5	40	CDBB	biogenic
Cc1ccc(Sc2nncn2N)c([N+](=O)[O-])c1	70462245	CCAJXAFTYNCXJZ-UHFFFAOYSA-N	251.271	1.360	5	40	CDBB	
COc1ccc(C(=O)NCC[C@H]2CCCO2)cc1[N+](=O)[O-]	40511982	KANKOSKVSLUCNQ-LLVKDONJSA-N	294.307	1.902	5	40	CDBB	
O=[N+]([O-])c1cccc(C(=S)N2CCOCC2)c1	193193	XAFOXMYZPFBAJQ-UHFFFAOYSA-N	252.295	1.603	5	40	CDBB	
O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	276868	SUHXEOJZYTYACV-UHFFFAOYSA-N	258.617	1.063	5	40	CDBB	
Cc1cnc(NCc2cnc(N(C)C)n2C)c([N+](=O)[O-])c1	78663128	PKZAGCQAZWRLLF-UHFFFAOYSA-N	290.327	1.710	5	40	CDBB	
O=C(O)[C@]1(Cc2ccccc2[N+](=O)[O-])CCCN1	4241048	ZRZRSTPZRDZVOH-GFCCVEGCSA-N	250.254	1.344	5	40	CDBB	
CC(C)NC(=O)CN(C)Cc1ccc([N+](=O)[O-])cc1	57211645	ODJQXEAZAKHLCZ-UHFFFAOYSA-N	265.313	1.551	5	40	CDBB	
CCOC(=O)c1c(N)[nH]c(=O)c2cc([N+](=O)[O-])ccc12	6658017	VHORFWSRYCBYDD-UHFFFAOYSA-N	277.236	1.195	5	40	CDBB	
C[C@H](C(=O)O)n1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	408716837	ROUORSQWDRKPCA-RXMQYKEDSA-N	297.189	1.768	5	40	CDBB	
CCc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2C(N)=O)n1	70462402	MIXDHQOYNPWQMH-UHFFFAOYSA-N	293.308	1.525	5	40	CDBB	
Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2)cc1[N+](=O)[O-]	84189982	NMVQOVCVHYKWRT-CMPLNLGQSA-N	277.324	1.832	5	40	CDBB	
Nc1ccc(CO[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-]	5580523	KTWJSOPCHUCXRY-CQSZACIVSA-N	295.339	1.498	5	40	CDBB	
Fc1cccc(Cl)c1C[N+]12CN3CN(CN(C3)C1)C2	19321109	IEXZCLKEXDFVKU-UHFFFAOYSA-N	283.758	1.488	5	40	CDBB	
CCCN(CC(C)(C)O)c1ccc([N+](=O)[O-])cn1	79111637	PQXCFCHJSMUFLK-UHFFFAOYSA-N	253.302	1.977	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1	24928050	CSVZQWIVXRTIQN-UHFFFAOYSA-N	282.206	1.708	5	40	CDBB	
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H]2CC[C@@H]1C2	102787067	XUYQBNQVKHVWSI-IRCOFANPSA-N	292.339	1.732	5	40	CDBB	
CCCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	8393924	WWFKRERXUKPQSH-UHFFFAOYSA-N	287.293	1.565	5	40	CDBB	
C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1F	69847263	MYDFHETVNOUFHN-NSHDSACASA-N	296.346	1.782	5	40	CDBB	
Nn1cnnc1Sc1ccc([N+](=O)[O-])cc1Cl	70462309	MIPLMODDARJVPJ-UHFFFAOYSA-N	271.689	1.705	5	40	CDBB	
COC(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OC	1772715084	SYEGODRAXPHXPS-UHFFFAOYSA-N	256.214	1.664	5	40	CDBB	
Cc1c(C(=O)NCCCn2ccnc2)cccc1[N+](=O)[O-]	5387190	ITWVOLCFIHIPQT-UHFFFAOYSA-N	288.307	1.920	5	40	CDBB	
O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1F	4743098	XRDMAIIHYMHDMH-UHFFFAOYSA-N	278.243	1.247	5	40	CDBB	
C[N+](C)(C)CCOc1ccc2nc(N)sc2c1	216108	CFEFONLCNPKRCE-UHFFFAOYSA-N	252.363	1.964	5	40	CDBB	
Cc1nc(CNc2c([N+](=O)[O-])ncn2C)c2n1CCCC2	101814677	WCAOACROHGRYIU-UHFFFAOYSA-N	290.327	1.782	5	40	CDBB	
Cc1c([N+](=O)[O-])ccc(S(=O)(=O)O)c1[N+](=O)[O-]	2529766	PNMMYPNEHJVPCA-UHFFFAOYSA-N	262.199	1.058	5	40	CDBB	
CCCCOc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4181861	JQRFKFXLILQEMQ-UHFFFAOYSA-N	283.240	1.781	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C(=O)O)CS1	4357730	HFAXIVVNHIWLLO-NXEZZACHSA-N	268.294	1.691	5	40	CDBB	
CCN(CC)C(=O)[C@H]1CCCN1c1ccncc1[N+](=O)[O-]	79089742	AORUFAITHNNDTO-GFCCVEGCSA-N	292.339	1.827	5	40	CDBB	
Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl	45891179	BVUPVYWBICYCGP-UHFFFAOYSA-N	257.677	1.667	5	40	CDBB	
O=c1[nH]c(N2CCOCC2)nc2cc3ccccc3cc12	16932390	VJOUQPNGNRNIDE-UHFFFAOYSA-N	281.315	1.913	5	40	CDBB	
COc1ccc(CO)c2nc3cccc(C(=O)O)c3nc12	6018119	TVCSLGBWHLPONF-UHFFFAOYSA-N	284.271	1.982	5	40	CDBB	in-vitro
C=Cn1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	10119600	BUCOXULMZMRAIV-UHFFFAOYSA-N	294.658	1.588	5	40	CDBB	
CCNC(=O)COc1ccc(Cl)cc1[N+](=O)[O-]	25126520	MYXKIMMGFOEWTC-UHFFFAOYSA-N	258.661	1.763	5	40	CDBB	
O=C(CN1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21	27271035	FZKRNMPDESROAM-UHFFFAOYSA-N	275.308	1.580	5	40	CDBB	
COC(=O)c1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	29218694	GGKDLVUWXYEOLC-UHFFFAOYSA-N	279.296	1.133	5	40	CDBB	
CCCn1nnnc1COC(=O)c1ccccc1[N+](=O)[O-]	7094770	JABNSSJQXVHRDC-UHFFFAOYSA-N	291.267	1.348	5	40	CDBB	
O=C(O)c1ccc(N2CCC(C(=O)O)CC2)c([N+](=O)[O-])c1	15443109	DGUKSCGEXKTNIL-UHFFFAOYSA-N	294.263	1.594	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(C)=O	21596522	WIBDNFIDRNBQRI-UHFFFAOYSA-N	269.282	1.436	5	40	CDBB	
Cc1c([C@H](C)NCc2ncnn2C)cccc1[N+](=O)[O-]	95968758	LUAHKWMMQGENLY-JTQLQIEISA-N	275.312	1.883	5	40	CDBB	
CC(=O)c1ccc(N[C@H]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1	75109728	YCBXZLSWNZLGLN-MNOVXSKESA-N	291.307	1.863	5	40	CDBB	
Cc1nnc2nc(-c3cc([N+](=O)[O-])ccc3F)[nH]n12	32266768	RLSBYIKLVFWTNQ-UHFFFAOYSA-N	262.204	1.475	5	40	CDBB	
CC(C)[C@](C)(O)CNC(=O)c1cc(F)ccc1[N+](=O)[O-]	75254356	BCGWWQHWVFZTIX-CYBMUJFWSA-N	284.287	1.871	5	40	CDBB	
Cc1nnc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])[nH]1	14116052	KLGGHTLUCWNAMU-UHFFFAOYSA-N	280.265	1.871	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2n[nH]c(Cn3cncn3)n2)cc1	26508053	BMSKWHLMNFLDFF-UHFFFAOYSA-N	271.240	1.020	5	40	CDBB	
O=C(CSC1=NCCN1)Nc1ccccc1[N+](=O)[O-]	7140991	UNVPJXIRGPYRNQ-UHFFFAOYSA-N	280.309	1.226	5	40	CDBB	
Cc1cc(-n2ccc(=O)c([N+](=O)[O-])c2)nc(C2CC2)n1	95413013	HMAIBOFRLUULIJ-UHFFFAOYSA-N	272.264	1.722	5	40	CDBB	
CC(C)CNC(=O)CNc1ccc(F)c([N+](=O)[O-])c1	9908951	GMDJTGRZEXWLRS-UHFFFAOYSA-N	269.276	1.918	5	40	CDBB	
O=C(O)c1cn(Cc2cccc(F)c2F)nc1[N+](=O)[O-]	408717047	VEKHKLFCULTTFB-UHFFFAOYSA-N	283.190	1.816	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CCCN2)cc1	78216647	XLUNGRVNMULDAD-JTQLQIEISA-N	299.352	1.015	5	40	CDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(O)CC1	18175201	UNGVYIOJGWPQQF-UHFFFAOYSA-N	265.269	1.583	5	40	CDBB	
CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1	36192476	CATQAWLHXUBATG-UHFFFAOYSA-N	277.324	1.938	5	40	CDBB	
CC(=O)Nc1cc(NC(C)=O)c([N+](=O)[O-])c(C(=O)O)c1	5378302	LYEIUSNYOPSUKN-UHFFFAOYSA-N	281.224	1.210	5	40	CDBB	
CN(C)c1cc([N+](=O)[O-])ccc1OP(=O)(O)O	2517023	PZMJLAMSOBSEEJ-UHFFFAOYSA-N	262.158	1.132	5	40	CDBB	in-vitro
C[C@@H](C[S@](C)=O)N(C)c1cccc(F)c1[N+](=O)[O-]	225601779	OXUKTHRBHBRFRN-ASCAZGACSA-N	274.317	1.937	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CCCO1	2779602	LYJQSYDBFJAZPH-WCBMZHEXSA-N	282.300	1.109	5	40	CDBB	
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1	45062357	ILTWUBNDUIMLRY-KBPBESRZSA-N	290.319	1.763	5	40	CDBB	
NS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1	4116630	NJOZGYRHKPIPKC-UHFFFAOYSA-N	297.292	1.447	5	40	CDBB	
Cc1noc(-c2nn(C)c(C)c2[N+](=O)[O-])c1[N+](=O)[O-]	4592741	OUUPCPXRVTZBGI-UHFFFAOYSA-N	267.201	1.508	5	40	CDBB	
O=C1OCC[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]12	95976190	VQZXPJYMFVBSBL-GZMMTYOYSA-N	263.253	1.132	5	40	CDBB	
Cc1ccc(S(=O)(=O)n2cnc([N+](=O)[O-])c2)cc1	6489928	PDGRCWHRWSOPKZ-UHFFFAOYSA-N	267.266	1.337	5	40	CDBB	
O=C(O)c1nn(-c2ccccc2F)nc1[N+](=O)[O-]	89263412	SLBSQARHUAXCAE-UHFFFAOYSA-N	252.161	1.013	5	40	CDBB	
CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(O)C2)c1	89645151	MDAXSCGGEAJHBP-UHFFFAOYSA-N	282.321	1.524	5	40	CDBB	
Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1	65714347	AQVQQVZLIXOYHI-UHFFFAOYSA-N	288.307	1.725	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCc2nnc3n2CCCC3)nc1	97108404	OGYLNOODYSDDOU-UHFFFAOYSA-N	288.311	1.572	5	40	CDBB	
O=[N+]([O-])c1cnn(C[C@@H](O)COCc2cccs2)c1	95438790	DZOYKAYCCPQNTF-SNVBAGLBSA-N	283.309	1.431	5	40	CDBB	
Nc1nc(Cn2nccc2[N+](=O)[O-])nc2ccccc12	89866714	ZVKCCMGFFXGHOF-UHFFFAOYSA-N	270.252	1.365	5	40	CDBB	
O=C(c1cccc([N+](=O)[O-])c1O)N1CCOC[C@H]1C1CC1	89975017	DHOCIPSINACROL-LBPRGKRZSA-N	292.291	1.551	5	40	CDBB	
COCC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	39768632	IEDDLWZQATZKTO-UHFFFAOYSA-N	294.292	1.698	5	40	CDBB	
Cc1nc2c(Br)cc([N+](=O)[O-])cn2n1	94993293	OTHYXVJPFMNKIG-UHFFFAOYSA-N	257.047	1.708	5	40	CDBB	
Cc1ccc(NS(=O)(=O)N(C)C)cc1[N+](=O)[O-]	93906494	UDZDVBWBPZCIAH-UHFFFAOYSA-N	259.287	1.122	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])c2c(c1)nc1ccccn12	1432235	LJBHWIYWGOQCJB-UHFFFAOYSA-N	256.221	1.495	5	40	CDBB	
COCC(=O)OCC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-]	4806380	BJUDBUKNEOEQQC-UHFFFAOYSA-N	296.279	1.340	5	40	CDBB	
Cc1n[nH]c(-c2[nH]nc(C)c2[N+](=O)[O-])c1[N+](=O)[O-]	6295136	XRHLALAWDIWCMA-UHFFFAOYSA-N	252.190	1.233	5	40	CDBB	
COCCCNc1nc2ccccn2c1[N+](=O)[O-]	29161958	WBPQVIBIECMORT-UHFFFAOYSA-N	250.258	1.691	5	40	CDBB	
CCCNC(=O)COC(=O)c1cccc([N+](=O)[O-])c1C	3444268	YQAYWDIMFDEEEC-UHFFFAOYSA-N	280.280	1.586	5	40	CDBB	
NC(=O)[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1	8053515	IENRPHLZAGPXJN-QMMMGPOBSA-N	283.715	1.950	5	40	CDBB	
COCc1nn(Cc2csc([N+](=O)[O-])c2)c(=O)o1	89420498	CDAZNTZCUJUFOZ-UHFFFAOYSA-N	271.254	1.001	5	40	CDBB	
COC(=O)c1ccc([N+](=O)[O-])c(/C=C/N(C)C)c1	49952274	YNJPBYXXPDXCRM-VOTSOKGWSA-N	250.254	1.914	5	40	CDBB	in-vitro
CC(=O)Nc1ccc(/C=C2\CCOC2=O)cc1[N+](=O)[O-]	17354151	SCTYIZHYAAPOCT-UXBLZVDNSA-N	276.248	1.884	5	40	CDBB	
CNC(=O)CN(C)c1ccc([N+](=O)[O-])c2cnccc12	18057280	KHQDLHHCDHAVAB-UHFFFAOYSA-N	274.280	1.325	5	40	CDBB	
COC[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	2734900	VRMBBSGHFVXDJZ-YVFTVSHDSA-N	264.281	1.759	5	40	CDBB	
CC(=O)N1N=C(N)S[C@@H]1c1cccc([N+](=O)[O-])c1	482249	UMBZQBWEMSYJEI-SECBINFHSA-N	266.282	1.418	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCOc2ncccc21	79013683	CVOOGVXVDGMMGQ-UHFFFAOYSA-N	299.286	1.958	5	40	CDBB	
C[C@@H](Sc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O	4130299	NZXDKUJOKZPQSJ-ZCFIWIBFSA-N	294.292	1.611	5	40	CDBB	
O=[N+]([O-])c1cn(C[C@@H](O)COc2ccccc2)c(Cl)n1	8306607	KUQINYYOEJSFEP-SECBINFHSA-N	297.698	1.885	5	40	CDBB	
CN(Cc1ncc[nH]1)c1nc2ccccn2c1[N+](=O)[O-]	95398668	CJYUOYFPZOVZSH-UHFFFAOYSA-N	272.268	1.602	5	40	CDBB	
CN(CC(C)(C)O)C(=O)Nc1cccc([N+](=O)[O-])c1	72306059	WYEKHGGXJVBZJQ-UHFFFAOYSA-N	267.285	1.829	5	40	CDBB	
C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])o1)c1cccs1	77181581	LAEBWGYOUPGQRS-LBPRGKRZSA-N	296.304	1.887	5	40	CDBB	
Cc1nn(CCC(=O)Nc2nccs2)c(C)c1[N+](=O)[O-]	373481	QFOCTYXWERNPSE-UHFFFAOYSA-N	295.324	1.893	5	40	CDBB	
Cc1ccc(C(=O)O[C@H]2C[C@@H](C)OC2=O)cc1[N+](=O)[O-]	32736473	KNSQMUZAFRETFC-KCJUWKMLSA-N	279.248	1.764	5	40	CDBB	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1	11034860	ZIZFJJDPQAQGPY-JTQLQIEISA-N	280.280	1.221	5	40	CDBB	
CN(C)C1CCN(c2cccc([N+](=O)[O-])c2C=O)CC1	95080969	YNEROKUYNRQZJG-UHFFFAOYSA-N	277.324	1.938	5	40	CDBB	
O=[N+]([O-])c1cccc([C@H](N2CCOCC2)n2ccnc2)c1	13233723	DQZCDNWQCJQJII-CQSZACIVSA-N	288.307	1.670	5	40	CDBB	
Cc1nn(CCC(=O)Nc2ccon2)c(C)c1[N+](=O)[O-]	2780301	MBKWLFIZFWYHIN-UHFFFAOYSA-N	279.256	1.425	5	40	CDBB	
CON(C)CCOC(=O)c1ccc([N+](=O)[O-])cc1	1614962	JKXMTNPYUQLQSQ-UHFFFAOYSA-N	254.242	1.245	5	40	CDBB	
CCNC(=O)[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	7643614	JUIINIVHUPHYSM-QROSGCPLSA-N	291.307	1.249	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1NCCNC(=O)c1ccccc1	24205640	CQWFYERHWRODPQ-UHFFFAOYSA-N	289.295	1.170	5	40	CDBB	
CCn1ccnc1SCCn1cc([N+](=O)[O-])ccc1=O	95446247	XICQWMGLGFTOOZ-UHFFFAOYSA-N	294.336	1.765	5	40	CDBB	
C[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	63282762	VJONTBFZEMLZNJ-MRVPVSSYSA-N	251.290	1.593	5	40	CDBB	
O=c1[nH]c(/C=C/c2ccccc2F)nc(O)c1[N+](=O)[O-]	15009252	NDIQFNZVXOWNTG-AATRIKPKSA-N	277.211	1.693	5	40	CDBB	
O=C(CNc1ccc(F)c([N+](=O)[O-])c1)NC1CC1	9503474	RECMCYOPMLIEAJ-UHFFFAOYSA-N	253.233	1.424	5	40	CDBB	
O=[N+]([O-])c1cn(C[C@H](O)COc2ccccc2)c(Cl)n1	8306608	KUQINYYOEJSFEP-VIFPVBQESA-N	297.698	1.885	5	40	CDBB	
COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2C)C1	45953590	WIERXIRNWVQVSN-VIFPVBQESA-N	278.264	1.429	5	40	CDBB	
Cc1c(C(=O)OCC(=O)NCC(C)C)cccc1[N+](=O)[O-]	3444259	MSIRLKJLCMNGQV-UHFFFAOYSA-N	294.307	1.832	5	40	CDBB	
CC(=O)OC(OC(C)=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	4744959	KEPXRRNBELXBIJ-UHFFFAOYSA-N	298.207	1.628	5	40	CDBB	
C[C@@H]1CCCC[C@H]1NC(=O)CCn1cnc([N+](=O)[O-])c1	12525579	LEIGSSFSASBBHB-GHMZBOCLSA-N	280.328	1.876	5	40	CDBB	
CC[N+](CC)(CC)CCNC(=O)c1ccc(N)cc1	2247555	VCVMLAOCKROJOY-UHFFFAOYSA-O	264.393	1.875	5	40	CDBB	
CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])cc1F	58789608	DLWOHQBRVJQPJO-UHFFFAOYSA-N	255.249	1.258	5	40	CDBB	
COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	35959497	NZJVIRUAXSHQEJ-VIFPVBQESA-N	278.264	1.429	5	40	CDBB	
CCN(C(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1	66363	RNILNDPDKSBATK-UHFFFAOYSA-N	274.280	1.995	5	40	CDBB	
O=C(O)CN(CC1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1	36884182	QTAMOLKDDKUJPX-UHFFFAOYSA-N	292.291	1.461	5	40	CDBB	
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1C[C@H]2CC[C@H]1C2	109039743	XUYQBNQVKHVWSI-FIQHERPVSA-N	292.339	1.732	5	40	CDBB	
C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1	5861123	HRMKSEQWKBYFGC-IUCAKERBSA-N	279.296	1.307	5	40	CDBB	
NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1F	675050446	JIHZPALRMPKIDG-UHFFFAOYSA-N	254.626	1.035	5	40	CDBB	
Cc1cc(N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	35056249	ZBDKKZASYCRPCS-SNVBAGLBSA-N	270.310	1.502	5	40	CDBB	
CC(C)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	3316177	XPCHWWDIKXFYAW-UHFFFAOYSA-N	284.243	1.872	5	40	CDBB	
CNC(=O)[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1C	48922088	VMIICCINYZGDIS-ZDUSSCGKSA-N	277.324	1.614	5	40	CDBB	
O=C(O)[C@H]1SCCN1C(=O)c1ccc([N+](=O)[O-])cc1	4673203	KTPRNUKJCZVUHM-SNVBAGLBSA-N	282.277	1.195	5	40	CDBB	
CCN(C)C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1	72302156	NZSFIFXZURAFQS-SNVBAGLBSA-N	267.333	1.106	5	40	CDBB	
O=c1[nH]c2ccc([N+](=O)[O-])cc2n1C1CCNCC1	22015789	SGCYJJFYPWDRIZ-UHFFFAOYSA-N	262.269	1.162	5	40	CDBB	
Cn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1=O	82454139	FKZAAQHCSYQHTB-UHFFFAOYSA-N	275.220	1.054	5	40	CDBB	
COC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1	19851102	NDZYRKDQBWLBHP-VIFPVBQESA-N	251.242	1.132	5	40	CDBB	in-vitro
COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccccc1	3099399	IBGOYXMLFPKRDY-JTQLQIEISA-N	281.264	1.009	5	40	CDBB	
O=c1oc2ccccc2c(NCCCO)c1[N+](=O)[O-]	4867031	ATWUQDSSHZMAAP-UHFFFAOYSA-N	264.237	1.496	5	40	CDBB	
Cc1nn([C@@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-]	6527456	YPJCFGLSLLYLPM-KKZNHRDASA-N	296.327	1.297	5	40	CDBB	
CCC(=O)NCCc1nc2cc([N+](=O)[O-])ccc2n1C	6665189	JWUVOPPRWWWQBG-UHFFFAOYSA-N	276.296	1.550	5	40	CDBB	
O=[N+]([O-])c1ccc(Sc2nc3ncccn3n2)nc1	14855552	OWUKFCWRLIEKPR-UHFFFAOYSA-N	274.265	1.579	5	40	CDBB	
O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	36047069	OMOUCINQOUGMPO-IWDIQUIJSA-N	286.243	1.038	5	40	CDBB	
CCOC(=O)Nn1c(C)nc2cccc([N+](=O)[O-])c2c1=O	255190059	USLOPIYDYICUQN-UHFFFAOYSA-N	292.251	1.313	5	40	CDBB	
CCOc1cccc(Cn2c([N+](=O)[O-])cnc2C)n1	97085485	CZIHPIAVDLHETK-UHFFFAOYSA-N	262.269	1.942	5	40	CDBB	
CCOC(=O)[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1	20135331	OIJRLGDWFBHZPR-JTQLQIEISA-N	279.296	1.769	5	40	CDBB	
CCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1[N+](=O)[O-]	32735886	AJIVSEPFPODPQT-SECBINFHSA-N	294.311	1.631	5	40	CDBB	
COc1cc(C=O)c(Br)c([N+](=O)[O-])c1O	2771050	WVOJRXBSBJWHPH-UHFFFAOYSA-N	276.042	1.884	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C2CC2)CC1	65604205	QLZDENNAVHROHX-UHFFFAOYSA-N	289.335	1.444	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(C)c1	14233838	OBTTVEFEHOGOBG-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
CCN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	409251501	PEVRLGORDVRRLT-VMPITWQZSA-N	277.236	1.213	5	40	CDBB	
C[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	408716937	SXAKJXZAWMGANG-BYPYZUCNSA-N	283.162	1.378	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1C[C@@H](O)c1cccc(F)c1	195562226	QFZLMRCEQVNRKA-LLVKDONJSA-N	265.244	1.972	5	40	CDBB	
CC(=O)O[C@@H](C)N(C(C)=O)c1ncc([N+](=O)[O-])s1	5763187	AQIUSQUYXRXWFS-LURJTMIESA-N	273.270	1.313	5	40	CDBB	
COC(=O)/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1	6440790	XMYNWCNTENDHAO-WAYWQWQTSA-N	250.210	1.263	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2)n1	6397204	FOJIGPFBFSLRGR-UHFFFAOYSA-N	260.257	1.752	5	40	CDBB	
Cc1cc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)no1	215079	UYBKZHFPKCDHGW-UHFFFAOYSA-N	293.283	1.815	5	40	CDBB	
Cn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	2775040	JQLCEJHPQNHQTF-UHFFFAOYSA-N	282.281	1.129	5	40	CDBB	
N=C(N)SCC(=O)Nc1cccc([N+](=O)[O-])c1	4838289	QCGBISFJAXHGEB-UHFFFAOYSA-N	254.271	1.160	5	40	CDBB	
NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	9141775	YFSSVTBPQAFDRQ-UHFFFAOYSA-N	275.220	1.539	5	40	CDBB	
COc1cc(CO)c([N+](=O)[O-])cc1OCCCC(=O)O	2387357	MYBBGZZXDFIZGU-UHFFFAOYSA-N	285.252	1.339	5	40	CDBB	
CC(C)CNc1nc(N2CCOCC2)ccc1[N+](=O)[O-]	97673583	SCAILDDFEOEWPQ-UHFFFAOYSA-N	280.328	1.894	5	40	CDBB	
O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](CO)C1	95976271	FOSDCBMIEPXSOA-LBPRGKRZSA-N	278.308	1.368	5	40	CDBB	
C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)S1	95981597	DXKUXXYUYWZVBW-DTORHVGOSA-N	293.352	1.968	5	40	CDBB	
CN(C)C(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	17434096	LWHZPNRTHDMZNR-UHFFFAOYSA-N	284.184	1.113	5	40	CDBB	
O=c1[nH]c([N+](=O)[O-])nn1C12CC3CC(CC(C3)C1)C2	9142788	DDXGYPTYMCUXQG-UHFFFAOYSA-N	264.285	1.405	5	40	CDBB	
CC[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CCO1	72274075	PTBQHKSXGCFGSX-JTQLQIEISA-N	293.323	1.736	5	40	CDBB	
O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2[N+](=O)[O-]	35682714	BDKYRKLKQLSJOI-JTQLQIEISA-N	279.296	1.306	5	40	CDBB	
Cc1c(C(=O)NC[C@@H]2COCCO2)cccc1[N+](=O)[O-]	40555967	AXVSWYMYMDEGJT-SNVBAGLBSA-N	280.280	1.048	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(CSc3cnn[nH]3)cn2c1	98086772	PFHGPCRESWPZLK-UHFFFAOYSA-N	276.281	1.653	5	40	CDBB	
C[C@H]1C[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C(=O)O1	46599833	UPWKDCUGEZYRNP-CABZTGNLSA-N	264.281	1.731	5	40	CDBB	
C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1C[C@@H]2CC[C@@H]1C2	100562724	ONZJXTGMENCZSV-LNFKQOIKSA-N	293.327	1.127	5	40	CDBB	
COc1ccc(NC(=S)NC(C)=O)cc1[N+](=O)[O-]	9064289	YTHVAUQUUNCEHE-UHFFFAOYSA-N	269.282	1.436	5	40	CDBB	
COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	35177863	FEWRUDJRBWVDNM-SSDOTTSWSA-N	284.293	1.434	5	40	CDBB	
O=CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	20435940	UIAIPHNFZNIRCG-UHFFFAOYSA-N	269.688	1.527	5	40	CDBB	
O=C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1	7984877	UWHCREKUEQKTOT-UHFFFAOYSA-N	289.213	1.550	5	40	CDBB	
NC(=O)Cn1cc(Nc2c(F)cc([N+](=O)[O-])cc2F)cn1	97229448	ODFMMBSCJKNOCY-UHFFFAOYSA-N	297.221	1.298	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)nc1	95349630	JDFFWDLFEARPMP-STQMWFEESA-N	292.339	1.025	5	40	CDBB	
Cc1cnc(N[C@@H](C(N)=O)C(C)C)c([N+](=O)[O-])c1	95975062	LQFHGSAICLCPMT-SECBINFHSA-N	252.274	1.220	5	40	CDBB	
CCc1nnc(Sc2ccccc2[N+](=O)[O-])n1N	70462231	CMXWSAKVLKKJNJ-UHFFFAOYSA-N	265.298	1.614	5	40	CDBB	
CCn1nc(C)c([N+](=O)[O-])c1Sc1nnnn1C1CC1	195339926	YCKGVHKKUFEDDH-UHFFFAOYSA-N	295.328	1.592	5	40	CDBB	
CN(CC(=O)NC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-]	96430690	BZUORNIWOGASRX-NSHDSACASA-N	293.323	1.184	5	40	CDBB	
CN(Cc1cccn1C)C(=O)c1c(N)cccc1[N+](=O)[O-]	97235283	IYBHFSLNTZJNKE-UHFFFAOYSA-N	288.307	1.788	5	40	CDBB	
COCc1nc(CN2CCc3ccc([N+](=O)[O-])cc32)no1	97374174	LMSGMVHDMRNALT-UHFFFAOYSA-N	290.279	1.687	5	40	CDBB	
Cc1cc(S(=O)(=O)Nc2cn[nH]c2)ccc1[N+](=O)[O-]	90230748	GIBRRCSIVGLDCQ-UHFFFAOYSA-N	282.281	1.427	5	40	CDBB	
Nc1nc([N+](=O)[O-])nn1C12CC3CC(CC(C3)C1)C2	5613078	WCDUQQZRIXVBBN-UHFFFAOYSA-N	263.301	1.694	5	40	CDBB	
CC(C)(COCOCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]	1708068	JQHRDDOWVBEGHS-UHFFFAOYSA-N	250.251	1.088	5	40	CDBB	
C[C@@H](O)[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-]	97232741	AETYJFGKKIGEDZ-DGCLKSJQSA-N	292.335	1.899	5	40	CDBB	
Cc1nccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1Cl	97238761	WPFIVDASVZZDJF-UHFFFAOYSA-N	281.659	1.927	5	40	CDBB	
O=[N+]([O-])c1cccc(F)c1CN(CCO)CC1CC1	78441385	TXFXYZUGVHABFG-UHFFFAOYSA-N	268.288	1.938	5	40	CDBB	
O=c1[nH]c2cc([N+](=O)[O-])ccc2n1C1CCNCC1	22015799	JMUMSKCLXTUUPP-UHFFFAOYSA-N	262.269	1.162	5	40	CDBB	
COc1cc(C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-]	90526314	VMXVRIYTWVAOEC-UHFFFAOYSA-N	293.323	1.427	5	40	CDBB	
Cc1cccc(-n2nnnc2Cn2cc([N+](=O)[O-])cn2)c1	96193755	UWXKLCAGTUAPDZ-UHFFFAOYSA-N	285.267	1.124	5	40	CDBB	
COCC(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@@H]12	247663613	UYWJKUXCVQQSMS-YDHLFZDLSA-N	256.366	1.585	5	40	CDBB	biogenic,in-vitro
CS(=O)(=O)CCSc1ccc(F)cc1[N+](=O)[O-]	69738204	ZIUAROKRCVJGIH-UHFFFAOYSA-N	279.314	1.871	5	40	CDBB	
Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])c(C)cc2=O)no1	89568483	MNGYYSYEIMUMQH-UHFFFAOYSA-N	292.251	1.000	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCCOC[C@@H]1CCCO1	96406537	WJUBHKVOOSFZPR-JTQLQIEISA-N	267.285	1.597	5	40	CDBB	
CCOCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	28027704	NBWAVYLJHDUBMJ-UHFFFAOYSA-N	292.295	1.628	5	40	CDBB	
CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12	97047199	FZUILHULLVDLOM-VIFPVBQESA-N	289.291	1.644	5	40	CDBB	
Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cnn1C	25006691	QTNAWUZXLSJSJJ-SSDOTTSWSA-N	278.268	1.721	5	40	CDBB	
C[S@@](=O)c1nncn1-c1ccc(Cl)cc1[N+](=O)[O-]	225560329	IJSFXEHOORAPIM-GOSISDBHSA-N	286.700	1.566	5	40	CDBB	
CC(=O)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1	33012226	APSNZWDMVIZVLW-UHFFFAOYSA-N	293.323	1.542	5	40	CDBB	
CC(C)NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1	71800045	KCVNRZAMJNRVEW-UHFFFAOYSA-N	288.307	1.983	5	40	CDBB	
O=C(NCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	5250764	GRUXOWFIFAQNFV-UHFFFAOYSA-N	299.286	1.850	5	40	CDBB	
CCOC(=O)c1cc(C(=O)O)c([N+](=O)[O-])cc1[N+](=O)[O-]	3845215	XZIBDQIETUABPM-UHFFFAOYSA-N	284.180	1.378	5	40	CDBB	
COC(=O)CCC(CCC(=O)OC)[N+]1(C)CCCC1	3847339	QOEQPFMXHCNMHI-UHFFFAOYSA-N	272.365	1.502	5	40	CDBB	
Nc1nc(Cl)nc(N2CCCCC2)c1[N+](=O)[O-]	4087415	VTBIZBFJTIZQPZ-UHFFFAOYSA-N	257.681	1.611	5	40	CDBB	
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC1	12984939	NDRSVPQWOUBYOW-UHFFFAOYSA-N	260.253	1.707	5	40	CDBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(Nc2cccc(F)c2)n1	4306380	HRCWOBZBZVTOQC-UHFFFAOYSA-N	292.274	1.916	5	40	CDBB	
CN(CCc1cnccn1)c1nc2ccccn2c1[N+](=O)[O-]	95457995	PPHMBNQTPQDGSS-UHFFFAOYSA-N	298.306	1.711	5	40	CDBB	
Cc1ccc(N2CCC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1	95973712	HVLNPQOGTMHKNK-SNVBAGLBSA-N	299.352	1.161	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1NCCN1CCOCC1	19845150	GFYXWLLSCFGFLR-UHFFFAOYSA-N	295.295	1.037	5	40	CDBB	
Cc1noc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1	32778966	PJJBQOAFDOEOKG-UHFFFAOYSA-N	276.208	1.242	5	40	CDBB	
CCCn1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1	568937	IDWNVVGWFGICBS-UHFFFAOYSA-N	290.283	1.552	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1C(=O)O	3866530	YJUBHURCCLOHSI-UHFFFAOYSA-N	276.208	1.268	5	40	CDBB	
CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4358160	XUPVXKLPNVKACM-UHFFFAOYSA-N	254.246	1.477	5	40	CDBB	
NC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl	7984494	VMBDEXALOJUZPQ-JTQLQIEISA-N	269.688	1.702	5	40	CDBB	
CC[C@](C)(NCc1ccc([N+](=O)[O-])cc1Cl)C(N)=O	97082861	KJVRQFJVOUVWPX-LBPRGKRZSA-N	285.731	1.992	5	40	CDBB	
CN1CCN(c2c(Cl)cc(C(N)=O)cc2[N+](=O)[O-])CC1	70462666	HHGALJMYWWISNP-UHFFFAOYSA-N	298.730	1.099	5	40	CDBB	
Cc1nc(C)c([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])s1	96486475	BNGQCRMEFJKAPV-LURJTMIESA-N	295.324	1.882	5	40	CDBB	
CC[C@@H]1C(=O)NCCN1Cc1csc([N+](=O)[O-])c1	96414897	WHFGJBILWWXWRN-SECBINFHSA-N	269.326	1.367	5	40	CDBB	
CC(C)Cn1ccnc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	58421739	UUHXUTZNZIYIDA-DTWKUNHWSA-N	252.274	1.143	5	40	CDBB	
CCOC(=O)c1ccc([N+](=O)[O-])cc1C(=O)OCC	1627269	PHULZILVTOTTJK-UHFFFAOYSA-N	267.237	1.948	5	40	CDBB	
Nc1ccc2cc([N+](=O)[O-])cc(S(=O)(=O)O)c2c1	3844819	DWGBLODXAMYUOP-UHFFFAOYSA-N	268.250	1.577	5	40	CDBB	
O=C(COc1cccnc1[N+](=O)[O-])NCc1cccs1	12542476	QBJZCZQHXBPQFN-UHFFFAOYSA-N	293.304	1.747	5	40	CDBB	
CC(C)Cc1nc(Cn2cnc([N+](=O)[O-])c2)no1	26124700	ROPKPORHGONCIS-UHFFFAOYSA-N	251.246	1.421	5	40	CDBB	
CCOC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1	12899097	GDYDYVFFBWFBHA-SECBINFHSA-N	295.295	1.338	5	40	CDBB	
O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccc(F)c(F)c1	96452626	YWPKTVPDXUFPCJ-UHFFFAOYSA-N	298.205	1.322	5	40	CDBB	
O=[N+]([O-])c1cccnc1N1CCC[C@H](c2nc[nH]n2)C1	96452910	MYMPQRFHXIVUJY-VIFPVBQESA-N	274.284	1.492	5	40	CDBB	
CCc1c(O)nc(-c2ccc([N+](=O)[O-])cc2)oc1=O	16161168	CGEZCOMERBGLNE-UHFFFAOYSA-N	262.221	1.878	5	40	CDBB	
Cc1nn(C)c(C(=O)N[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-]	2780948	CDIVITOWIHBMRK-WPRPVWTQSA-N	280.328	1.945	5	40	CDBB	
CNC(=O)c1cc(N2CCC[C@H](CO)C2)ccc1[N+](=O)[O-]	58168243	BRPQZROHPVWLFQ-JTQLQIEISA-N	293.323	1.163	5	40	CDBB	
NCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1	97019491	IFORGYNCKUVJOL-UHFFFAOYSA-N	296.302	1.127	5	40	CDBB	
Cn1c(CCn2ccccc2=O)nc2cc([N+](=O)[O-])ccc21	6665083	XRBPWTVOTNJIEJ-UHFFFAOYSA-N	298.302	1.886	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(Cn3cnc([N+](=O)[O-])n3)[nH]c2c1	97165101	DBFOJYRNURLKRV-UHFFFAOYSA-N	289.211	1.019	5	40	CDBB	
CS(=O)(=O)CC1(CNc2ccc([N+](=O)[O-])cc2)CC1	95429687	MLBJSORFGOGYKG-UHFFFAOYSA-N	284.337	1.832	5	40	CDBB	
C[C@H]1[C@H](C)CCN1c1cc([N+](=O)[O-])ccc1S(N)(=O)=O	110712918	BTCKQCANFSUYKP-BDAKNGLRSA-N	299.352	1.477	5	40	CDBB	
O=C(O)c1[nH]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c1C(=O)O	36385355	IPYQIERLCKCBJV-UHFFFAOYSA-N	295.163	1.381	5	40	CDBB	in-vitro
CCOc1cc([N+](=O)[O-])c(OCC)cc1C(N)=O	95868207	FXLFVJXIUARCPI-UHFFFAOYSA-N	254.242	1.491	5	40	CDBB	
O=C(Cn1ccccc1=O)Nc1cccc([N+](=O)[O-])c1	17477514	UJMHZCFJIDTYEA-UHFFFAOYSA-N	273.248	1.395	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCCC[C@H]1C	7344466	OIBVFTPADWMEQY-KOLCDFICSA-N	280.328	1.795	5	40	CDBB	
O=C(NCC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])o1	58431280	SZIJMJXIFBMEEP-QMMMGPOBSA-N	254.242	1.487	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1Cc1ccc(C(=O)O)cc1	408605282	LMKUDGUIXLQFTA-UHFFFAOYSA-N	261.237	1.846	5	40	CDBB	
C[C@@H](OC(=O)C[C@H](N)C(=O)O)c1ccccc1[N+](=O)[O-]	96118917	JZASQWASTRVHNE-APPZFPTMSA-N	282.252	1.001	5	40	CDBB	
CCC(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	20154194	CGYFIIHQIRIJME-UHFFFAOYSA-N	278.312	1.353	5	40	CDBB	
CC(=O)NC(=S)Nc1ccc(C)cc1[N+](=O)[O-]	21596518	HYCHONYCKNEYIQ-UHFFFAOYSA-N	253.283	1.736	5	40	CDBB	
CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1	74764148	KSQODYGFPXTWQG-UHFFFAOYSA-N	263.297	1.941	5	40	CDBB	
Cc1cnc(N[C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1	95430294	FWNFFMNEVJAPSH-NXEZZACHSA-N	278.312	1.754	5	40	CDBB	
OCCNc1nnc(NCCO)c2cc3ccccc3cc12	1608069	GWXWFDYNYFAHMP-UHFFFAOYSA-N	298.346	1.591	5	40	CDBB	
C[C@@H](Sc1ncn[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	11340796	JWSDEZYKJVYBIU-SSDOTTSWSA-N	293.308	1.832	5	40	CDBB	
O=[N+]([O-])c1nn([C@H]2CCOC2)cc1Br	69624579	SGRYJDUBTYMMDD-YFKPBYRVSA-N	262.063	1.515	5	40	CDBB	
COC[C@H](O)CNc1ncc(Cl)cc1[N+](=O)[O-]	129788614	PQLMHJPCOPBPCE-SSDOTTSWSA-N	261.665	1.062	5	40	CDBB	
O=[N+]([O-])c1ccc2sc(N[C@@H]3CCNC3)nc2c1	91351688	SENPJNVYZIFTAG-SSDOTTSWSA-N	264.310	1.978	5	40	CDBB	
C[C@H](O)C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	254321264	ZSOWTAJVTXSYKL-XPCVCDNBSA-N	256.366	1.320	5	40	CDBB	
COc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-]	70237067	KOGYMHOPNSPXCR-UHFFFAOYSA-N	274.298	1.290	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)O1	35571835	VGOLNVZXOIJBKT-DTORHVGOSA-N	252.270	1.914	5	40	CDBB	
Nc1nc(N)c2nc3c(ccc4ccccc43)nc2n1	13212061	DHGUFUVSUAYZAH-UHFFFAOYSA-N	262.276	1.891	5	40	CDBB	
CCCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	12824775	RFPSWTUWKRSUJX-UHFFFAOYSA-N	253.258	1.155	5	40	CDBB	
CN(C)c1ccc(C2OCC(C)([N+](=O)[O-])CO2)cc1	75879	VKBRTYKGJAYUEE-UHFFFAOYSA-N	266.297	1.833	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2	53834823	KLBDAMUWGNEISK-UHFFFAOYSA-N	290.323	1.972	5	40	CDBB	
CC(C)(C)NC(=S)NNc1ncccc1[N+](=O)[O-]	408588019	VXLVTVRETDYRDB-UHFFFAOYSA-N	269.330	1.579	5	40	CDBB	
Cn1nccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	30582953	IGYRBDBOTZMQGW-UHFFFAOYSA-N	294.698	1.912	5	40	CDBB	
CCOC(=O)c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1	85385645	FCGNKXHPXCVPQJ-UHFFFAOYSA-N	262.225	1.557	5	40	CDBB	
CC(=O)Nc1ccc(N(C)C)c([N+](=O)[O-])c1[N+](=O)[O-]	96316057	DCNAVVDURFQGQV-UHFFFAOYSA-N	268.229	1.527	5	40	CDBB	
CC(=O)OC[C@@H]([C@@H](OC(C)=O)c1ccccc1)[N+](=O)[O-]	5166156	AYBALPYBYZFKDS-STQMWFEESA-N	281.264	1.499	5	40	CDBB	
C[C@@H](SCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	6267182	WTMQGCFEZIXYTF-SSDOTTSWSA-N	269.278	1.984	5	40	CDBB	
C[C@H](Nc1ccc2nonc2c1[N+](=O)[O-])C(=O)O	6669516	XBRNQZUAKJMNAW-BYPYZUCNSA-N	252.186	1.016	5	40	CDBB	
CC(=O)NCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	6905346	AFERLGFFFYMAGE-UHFFFAOYSA-N	285.687	1.114	5	40	CDBB	
C[C@H](N)c1n[nH]c(COc2ccc([N+](=O)[O-])cc2)n1	95534664	TWIUVLXIMLXONJ-ZETCQYMHSA-N	263.257	1.312	5	40	CDBB	
NC(=O)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1	95360910	WBWKAZOPPCPDEN-VIFPVBQESA-N	269.326	1.354	5	40	CDBB	
C[C@@H](NCC(C)(C)C(N)=O)c1ccc([N+](=O)[O-])cc1	195558796	YCIIEVJUCDOSFZ-SECBINFHSA-N	265.313	1.757	5	40	CDBB	
COc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1	83946	MEMBBOBRPXKEEY-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
COc1ccccc1NC(=O)c1nn(C)cc1[N+](=O)[O-]	174845	ODFRJKVZXGTSEO-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
COc1ccc(NC(=O)c2ccc(CO)o2)cc1[N+](=O)[O-]	558845	BAQJTVQVKUDLRK-UHFFFAOYSA-N	292.247	1.941	5	40	CDBB	
CCN(CC)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	44652943	UJPKCPOGAZKPJJ-UHFFFAOYSA-N	262.269	1.953	5	40	CDBB	
C[N+]1(CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)CCCCC1	102683986	KACLEKGODJDZPY-SYQHCUMBSA-N	275.372	1.382	5	40	CDBB	
Cc1nc2[nH]c(=O)nc(N)c2c2c1c(=O)oc1ccccc12	59019881	ZRTYCWVFUYGXMX-UHFFFAOYSA-N	294.270	1.468	5	40	CDBB	
CC(=O)NCCNc1ccc(C(C)=O)cc1[N+](=O)[O-]	8052743	HJPHKKMMLXCVNA-UHFFFAOYSA-N	265.269	1.345	5	40	CDBB	
COc1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1	70462251	NTTLGGZWUMDJLW-UHFFFAOYSA-N	252.255	1.873	5	40	CDBB	
Nc1cnccc1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	199712516	DFHNPRXDZMDPBW-UHFFFAOYSA-N	287.231	1.532	5	40	CDBB	
COc1ccccc1CNc1ncc([N+](=O)[O-])c(N)n1	40063264	DXJQRYWOJUGYNO-UHFFFAOYSA-N	275.268	1.588	5	40	CDBB	
COc1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1OC	100067895	NZXYYWMLCFKCPV-UHFFFAOYSA-N	273.157	1.428	5	40	CDBB	
CCn1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1	2796564	CIJYGTCWSWWQID-UHFFFAOYSA-N	274.280	1.741	5	40	CDBB	
COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(C)cc1	2228212	CFNLQAIKBRQDQG-LLVKDONJSA-N	295.291	1.318	5	40	CDBB	
Cc1cccc(C(=O)N[C@H](C)Cn2ccnc2)c1[N+](=O)[O-]	44917237	LOOOJPDPTRVPAB-LLVKDONJSA-N	288.307	1.918	5	40	CDBB	
O=C(O)[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1	11919892	MGZNHWUKOICZHV-WDEREUQCSA-N	288.263	1.006	5	40	CDBB	
O=C(O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O	41670662	INUJLGAFJBRMOV-UHFFFAOYSA-N	290.231	1.084	5	40	CDBB	
COC(=O)COc1cccc(C(C)=O)c1[N+](=O)[O-]	16322047	RYTVDGXPDRSONV-UHFFFAOYSA-N	253.210	1.349	5	40	CDBB	
CC1=C([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1	370173	WZNIVHXIOSNYMS-SNVBAGLBSA-N	277.236	1.277	5	40	CDBB	
Cc1cc(N[C@H](C)Cn2cncn2)ccc1[N+](=O)[O-]	92627036	KFSKLEVSWCCQHW-SNVBAGLBSA-N	261.285	1.995	5	40	CDBB	
NC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-]	1677695	DTCLJMSDYIBSAL-UHFFFAOYSA-N	299.286	1.875	5	40	CDBB	
COC(=O)/C=C/c1ccc(/C=C/C(=O)OC)c([N+](=O)[O-])c1	3845220	FJTBOCNXCFQMFL-IJYBVRAASA-N	291.259	1.967	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1F	1000931	RTOMUFMOALXEFU-UHFFFAOYSA-N	292.270	1.880	5	40	CDBB	
C[C@@H](CN1CCCC1=O)Nc1ccc([N+](=O)[O-])cn1	48287849	MDHLJRGPDARLBI-VIFPVBQESA-N	264.285	1.413	5	40	CDBB	
CC[C@@H](C)NC(=O)COc1ccccc1[N+](=O)[O-]	3382124	KOAJUQDTCGKBCU-SECBINFHSA-N	252.270	1.888	5	40	CDBB	
O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc([N+](=O)[O-])cc1	4392695	FDZWGLDXVDSGPV-SECBINFHSA-N	298.320	1.358	5	40	CDBB	
O=[N+]([O-])c1cccn2c(I)cnc12	72319833	NXDLLAQQLKPVLM-UHFFFAOYSA-N	289.032	1.847	5	40	CDBB	
CN1CCN(C(=O)Nc2ccccc2CC[N+](=O)[O-])CC1	5343228	IZQDEZCCZBNCMB-UHFFFAOYSA-N	292.339	1.285	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)nnn2CNc1ccccn1	19143204	PSQVQBQXGXUTJA-UHFFFAOYSA-N	270.252	1.804	5	40	CDBB	
O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc([N+](=O)[O-])o1	191274	WVGNBVJYZAIAGK-UHFFFAOYSA-N	272.220	1.738	5	40	CDBB	
Cc1ncoc1C(=O)Nc1ncc([N+](=O)[O-])s1	4148066	OFWUTLYOGLOZID-UHFFFAOYSA-N	254.227	1.600	5	40	CDBB	
O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC1	7202496	QFCNURBTTUUZSM-UHFFFAOYSA-N	264.237	1.065	5	40	CDBB	
CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1	6120405	CYPCELHEHJMQAG-UHFFFAOYSA-N	293.323	1.548	5	40	CDBB	
Cc1ccc(N2CCC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1	95973711	HVLNPQOGTMHKNK-JTQLQIEISA-N	299.352	1.161	5	40	CDBB	
CN1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)CC1	64554934	CNDRLMZAGMENBI-UHFFFAOYSA-N	289.335	1.400	5	40	CDBB	
CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C(N)=O	95427456	LFVPVCUTPWZCNI-SNVBAGLBSA-N	255.249	1.656	5	40	CDBB	
Cc1cc(N[C@@H]2CCCN(C(N)=O)C2)ncc1[N+](=O)[O-]	96011312	HYUITSKVGCHMOU-SECBINFHSA-N	279.300	1.253	5	40	CDBB	
O=C(CSCCO)Nc1cc([N+](=O)[O-])ccc1Cl	18186345	NJGMKMGFDROKGB-UHFFFAOYSA-N	290.728	1.912	5	40	CDBB	
CCOC(=O)C(=O)c1c[nH]c2c([N+](=O)[O-])cccc12	157969873	MUMXPDNBOJSGPA-UHFFFAOYSA-N	262.221	1.822	5	40	CDBB	
Cc1ccc(C(=O)OCC(=O)NCC(C)C)cc1[N+](=O)[O-]	3511378	MOLZGMHZGQNZSI-UHFFFAOYSA-N	294.307	1.832	5	40	CDBB	
Cc1cc([N+](=O)[O-])cc(I)[n+]1[O-]	3847029	KHECDYJFVDZRFT-UHFFFAOYSA-N	280.021	1.141	5	40	CDBB	
O=C(NCCc1cccnc1)c1ccc([N+](=O)[O-])cc1	12731890	GSTINGDBJIWWPT-UHFFFAOYSA-N	271.276	1.962	5	40	CDBB	
CC(C)(C)c1nccc(-n2ccc(=O)c([N+](=O)[O-])c2)n1	95413012	LAWIPIKPOFLAEU-UHFFFAOYSA-N	274.280	1.833	5	40	CDBB	
CC(C)NC(=O)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	23925769	BPNSYJKRDXKWSX-VOTSOKGWSA-N	291.307	1.249	5	40	CDBB	
Cc1nn(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C)c1[N+](=O)[O-]	18058495	OVUCWNGMQLFKHU-AOOOYVTPSA-N	294.355	1.913	5	40	CDBB	
CN(C)S(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	89319490	MVIQNBZEFIIDEJ-UHFFFAOYSA-N	299.352	1.366	5	40	CDBB	
Cc1cc(=O)n(C[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-]	89568488	WJLKPGFYLDIXCR-CYBMUJFWSA-N	292.266	1.938	5	40	CDBB	
CO[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1	585140868	LWQHQTVHGJJTBX-GFCCVEGCSA-N	295.295	1.740	5	40	CDBB	
C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H](C)O1	15443197	VETBLVLKWBJXHX-DTORHVGOSA-N	251.286	1.791	5	40	CDBB	
O=C(O)[C@H]1CCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1	2569499	GFVDJYNCILVSQW-LLVKDONJSA-N	294.263	1.780	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=N)NC1=O	3899267	WVEXVYMIVWENOR-WEVVVXLNSA-N	279.277	1.742	5	40	CDBB	
O=C(COc1cccnc1[N+](=O)[O-])N1CCc2ccccc21	12531989	PBDJNLWZCDVCDY-UHFFFAOYSA-N	299.286	1.958	5	40	CDBB	
O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCCO	62310937	JCRQMBCISZIXPY-UHFFFAOYSA-N	264.237	1.085	5	40	CDBB	
COc1ccc(Oc2ccc3nnnn3n2)c([N+](=O)[O-])c1	14068232	WNLLKCFEMSMGNJ-UHFFFAOYSA-N	288.223	1.228	5	40	CDBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[C@H]1CCCO1	7150345	VGQGSISDRCAWIM-MRVPVSSYSA-N	276.248	1.370	5	40	CDBB	
C[C@H](O)[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-]	97232740	AETYJFGKKIGEDZ-WCQYABFASA-N	292.335	1.899	5	40	CDBB	
O=[N+]([O-])c1cnccc1N1CCC[C@@H](c2nc[nH]n2)C1	89884898	IPEBKPFCGPZSBL-SECBINFHSA-N	274.284	1.492	5	40	CDBB	
CNC(=O)[C@@H](C)OC(=O)c1cc(SC)ccc1[N+](=O)[O-]	31333084	ALWNIPJNNSQMIH-SSDOTTSWSA-N	298.320	1.608	5	40	CDBB	
CCc1nnc(Sc2ccc([N+](=O)[O-])cc2C)n1N	70462277	HHHCNNKVJWGTLQ-UHFFFAOYSA-N	279.325	1.922	5	40	CDBB	
CCN(Cc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	96429026	WRTASDQVOABLBA-UHFFFAOYSA-N	272.326	1.685	5	40	CDBB	
O=c1[nH]c(/C=C/c2cccc(O)c2)nc(O)c1[N+](=O)[O-]	15009265	KSRHMBTWFQIUCI-SNAWJCMRSA-N	275.220	1.260	5	40	CDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N1	2788605	HNPKDEDJNOBPTB-ONGXEEELSA-N	265.225	1.191	5	40	CDBB	
CCn1nccc1CNC(=O)c1ccc([N+](=O)[O-])cc1	2796485	MYUXIFVABUIJAS-UHFFFAOYSA-N	274.280	1.741	5	40	CDBB	
O=c1nc2oc3ccc(Br)cc3cc-2c(=O)[nH]1	3159504	XOVRHBBCSJZTID-UHFFFAOYSA-N	293.076	1.744	5	40	CDBB	
COC1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1	53896962	WATPJEPMHMXMPZ-UHFFFAOYSA-N	276.296	1.858	5	40	CDBB	
O=C(NC1CCC(O)CC1)c1csc([N+](=O)[O-])c1	42567206	XKVXAGIFKFHFSR-UHFFFAOYSA-N	270.310	1.690	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N	4046764	CZBGDUTWXCXPLX-UHFFFAOYSA-N	255.186	1.262	5	40	CDBB	
CN(CCN1CCOCC1)Cc1ccccc1[N+](=O)[O-]	72024494	FNWYLWDJWYGUSJ-UHFFFAOYSA-N	279.340	1.359	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1CO	72582600	FVFOYVYFIKHAQJ-GFCCVEGCSA-N	293.323	1.298	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCCCn1ccnc1	47465602	WZLPFSQRXPZIIC-UHFFFAOYSA-N	288.307	1.540	5	40	CDBB	
O=c1[nH]c2cc([N+](=O)[O-])ccc2c(F)c1N1CCOCC1	226825029	YPIPCJBPTFTEQX-UHFFFAOYSA-N	293.254	1.412	5	40	CDBB	
NC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	44556155	JUMYMFSJTQHOLC-LLVKDONJSA-N	299.352	1.097	5	40	CDBB	
Cn1nc([N+](=O)[O-])nc1Oc1cccc([N+](=O)[O-])c1	95116214	RNEMFPNZBYUTEQ-UHFFFAOYSA-N	265.185	1.424	5	40	CDBB	
C[C@@H]1CCCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	8178228	YWCIVMQVWLPHTQ-SECBINFHSA-N	299.352	1.621	5	40	CDBB	
Nc1ccc(C(=O)OC[C@H]2CCCO2)cc1[N+](=O)[O-]	25396860	ALFVMWOYVUNAQI-SECBINFHSA-N	266.253	1.513	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C(=O)O	40546108	CHGNZZMBMWEDSP-LLVKDONJSA-N	293.279	1.984	5	40	CDBB	
CNS(=O)(=O)c1ccc(NCC2CCC2)c([N+](=O)[O-])c1	42099923	JEVLHVDGTXVWGB-UHFFFAOYSA-N	299.352	1.715	5	40	CDBB	
O=C1CSC(=O)N1CNc1ccc([N+](=O)[O-])cc1	4713420	NMBOCUDFVIXOLK-UHFFFAOYSA-N	267.266	1.660	5	40	CDBB	
O=c1cc(CSCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)[nH]1	5769485	WQVFOAFYMWKFSG-UHFFFAOYSA-N	293.304	1.405	5	40	CDBB	
CC(C)(C)c1nc(C(C)(C)NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])no1	69176936	FHYHIHTZOFDJBX-SFYZADRCSA-N	296.327	1.384	5	40	CDBB	
CC(C)C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	36532275	NPBBARHFODOHKL-UHFFFAOYSA-N	283.309	1.769	5	40	CDBB	
O=C(O)/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	32561935	JRABJZGUAXKSOZ-ARJAWSKDSA-N	270.628	1.828	5	40	CDBB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1[N+](=O)[O-]	195099	SWSBTLFWLIEUNO-LLVKDONJSA-N	291.263	1.396	5	40	CDBB	
CC[C@@H](C)NC[C@H](O)COc1ccc([N+](=O)[O-])cc1	2679913	SMKPDKOHESNKGI-PWSUYJOCSA-N	268.313	1.723	5	40	CDBB	
Cc1cccc(CNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1	64336098	BRKSPOLFBDMMBV-UHFFFAOYSA-N	274.280	1.865	5	40	CDBB	
O=[N+]([O-])c1ccccc1CN1CCCS(=O)(=O)CC1	71893664	MIKMHMCOEMCGDQ-UHFFFAOYSA-N	284.337	1.215	5	40	CDBB	
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCCC1	6059880	JEMQDFFQACGZGG-GFCCVEGCSA-N	280.324	1.820	5	40	CDBB	
CCOc1cc(N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]	4182332	KPWXDPBWKITZSJ-UHFFFAOYSA-N	255.230	1.968	5	40	CDBB	
CN(C)c1cc(N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]	5319209	JLSPGMLWFNRONS-UHFFFAOYSA-N	254.246	1.635	5	40	CDBB	
COC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OC	56720	WKQDFBKYIAEZEP-UHFFFAOYSA-N	265.221	1.324	5	40	CDBB	
C[N+]1(CCC[N+]2(C)C[C@H]3CC=CC[C@@H]3C2)CCOCC1	1673472	KXJRKGQOIVIEDP-IAGOWNOFSA-N	280.456	1.896	5	40	CDBB	
CCOCCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	6892160	ILYPPUBMMTZOCS-UHFFFAOYSA-N	295.295	1.076	5	40	CDBB	
Cn1ccnc1SCc1ccc(C(N)=O)cc1[N+](=O)[O-]	12627828	JBAYJGKHFBWMGS-UHFFFAOYSA-N	292.320	1.720	5	40	CDBB	
C[C@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	72094949	CNLQQXSVXDQOQH-XVKPBYJWSA-N	278.264	1.504	5	40	CDBB	
Cc1c[nH]/c(=N/C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[nH]1	95980389	NSVPJBIZEKDXDF-UHFFFAOYSA-N	297.274	1.849	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1N[C@H](CO)Cc1ccccc1	63218601	PBMHDRMZNJIBMM-NSHDSACASA-N	276.296	1.344	5	40	CDBB	
NC(=O)[C@H]1CCC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-]	95429694	KNHLLLSAOIGUBH-CBAPKCEASA-N	267.260	1.800	5	40	CDBB	
O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)OCCO2	20448608	MYXZZQKQUATZSX-UHFFFAOYSA-N	282.252	1.167	5	40	CDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N1	2788607	HNPKDEDJNOBPTB-KOLCDFICSA-N	265.225	1.191	5	40	CDBB	
CC(=O)Nc1ccc(/C=C2/CCOC2=O)cc1[N+](=O)[O-]	4896918	SCTYIZHYAAPOCT-POHAHGRESA-N	276.248	1.884	5	40	CDBB	
COC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1	10320334	XONSKIRCDQLSNE-SNVBAGLBSA-N	282.296	1.433	5	40	CDBB	
COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(C)cc1	2228214	CFNLQAIKBRQDQG-NSHDSACASA-N	295.291	1.318	5	40	CDBB	
COC[C@H](O)CNc1ccc([N+](=O)[O-])c2cccnc12	71271691	ADMGXWWKDWUUOX-SECBINFHSA-N	277.280	1.562	5	40	CDBB	
C[C@H](C[N+]1(C)CCOCC1)N1C(=O)c2ccccc2C1=O	6183560	PFJIDXUCXMZKAM-GFCCVEGCSA-N	289.355	1.148	5	40	CDBB	
CCS(=O)(=O)[C@@H](C)[C@H](O)c1ccc([N+](=O)[O-])cc1	96519388	KBRXMDGLGJWHBS-KWQFWETISA-N	273.310	1.451	5	40	CDBB	
COC[C@@H](O)CNc1cc(C)c([N+](=O)[O-])cc1Cl	80643382	KDBVJWDPHSSETF-QMMMGPOBSA-N	274.704	1.976	5	40	CDBB	
CC(=O)c1nn(-c2ccccc2[N+](=O)[O-])/c(=N/N=O)s1	5726510	SAWGQTUYGFQJTM-KHPPLWFESA-N	293.264	1.627	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccco1	419194	QCYTXRYKFDPHIT-UHFFFAOYSA-N	264.241	1.009	5	40	CDBB	
CC[C@H](CO)Nc1nc2ccccn2c1[N+](=O)[O-]	12628195	IXGLLYRFWQBXMI-MRVPVSSYSA-N	250.258	1.425	5	40	CDBB	
C[C@H]1CCC[C@@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1	17008266	LXMJIQFQKFIKHS-PHIMTYICSA-N	280.328	1.971	5	40	CDBB	
Cn1ccnc1CN1CCc2ccc([N+](=O)[O-])cc21	182748280	JIEHUPADNXRHDF-UHFFFAOYSA-N	258.281	1.891	5	40	CDBB	
Cn1c(SCC(=O)O)nnc1-c1ccccc1[N+](=O)[O-]	5521317	YVQYRLNVZGMYQN-UHFFFAOYSA-N	294.292	1.567	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)CC(C)=O)c1	4100934	DMTKRLBQRPRIGE-UHFFFAOYSA-N	252.226	1.521	5	40	CDBB	
COc1ccc(CSC[C@@H](N)C(=O)O)cc1[N+](=O)[O-]	522355	VNVYZMGTQQSWOH-MRVPVSSYSA-N	286.309	1.249	5	40	CDBB	
O=c1[nH]c(O)nc(/C=C\c2cccs2)c1[N+](=O)[O-]	33247720	KUXHZZSVSVVOEG-ARJAWSKDSA-N	265.250	1.616	5	40	CDBB	
CC(=O)O[C@@H](C[N+](=O)[O-])c1cnn(-c2ccccc2)n1	1090613	JXYMYNUNOUTWCB-LBPRGKRZSA-N	276.252	1.148	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(OC)cc2)n1	5218589	IVAKRKWRARXWJK-UHFFFAOYSA-N	290.283	1.761	5	40	CDBB	
CCSc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-]	118553541	CPAUEFVZMODCHU-UHFFFAOYSA-N	276.339	1.615	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC1	17356407	GDYICXOORCPEGP-UHFFFAOYSA-N	250.254	1.839	5	40	CDBB	
CNC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Cl	225727001	QYAOWMLUUPIUOG-UHFFFAOYSA-N	259.605	1.516	5	40	CDBB	
O=C(NC1CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	49412352	BFPZDOGSYMOAPI-UHFFFAOYSA-N	272.264	1.673	5	40	CDBB	
C[C@H]1COC[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1	96419101	JFFKXKXQCXQMLX-QWRGUYRKSA-N	278.308	1.773	5	40	CDBB	
O=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)N1CCCC1	57551371	CDBZIXADWOSFPD-GFCCVEGCSA-N	264.281	1.686	5	40	CDBB	
CC[C@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1	24234154	LAOMOPWKBDTFJU-MRVPVSSYSA-N	253.258	1.487	5	40	CDBB	
CNC(=O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1	94774621	ZHOCNZSGWMNOKB-ZDUSSCGKSA-N	295.314	1.834	5	40	CDBB	
CNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	4682162	FCBDAWIQYYIXTR-UHFFFAOYSA-N	291.307	1.193	5	40	CDBB	
CCOCCCNC(=O)COc1cccc([N+](=O)[O-])c1	6788119	XHAOOVFNPBWRSB-UHFFFAOYSA-N	282.296	1.516	5	40	CDBB	
O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccon3)C2)nc1	72665346	NQPAFOYTBXDCRV-JTQLQIEISA-N	289.295	1.664	5	40	CDBB	
COCCOc1cc([N+](=O)[O-])sc1C(=O)OC	96511081	AGCOOAKNANFYBY-UHFFFAOYSA-N	261.255	1.468	5	40	CDBB	
CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C(=O)O	13998011	GSZUVVWNNPZIGN-UHFFFAOYSA-N	258.617	1.905	5	40	CDBB	
COC(=O)[C@@H](OC)Oc1cc(OC)ccc1[N+](=O)[O-]	16215402	VXACZFMHEVLJFB-NSHDSACASA-N	271.225	1.128	5	40	CDBB	
C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])o1	46857471	DCLAGUZYAYKJDM-JTQLQIEISA-N	281.312	1.792	5	40	CDBB	
CCOC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1	175974	BJFUDMQNKMNPPN-UHFFFAOYSA-N	297.267	1.102	5	40	CDBB	
COC(=O)c1ccc(Cn2cc([N+](=O)[O-])nc2C)o1	12395763	UIWHWWVVTKRXTN-UHFFFAOYSA-N	265.225	1.528	5	40	CDBB	
Cc1onc(C(=O)O)c1Cn1cc(Cl)c([N+](=O)[O-])n1	12357828	VIYVMRNVXGPMJV-UHFFFAOYSA-N	286.631	1.488	5	40	CDBB	
O=C(O)[C@@H]1CS[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	6219599	DVGHWKMKBVJDGU-QUBYGPBYSA-N	298.276	1.112	5	40	CDBB	
C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])c1	12648129	FRISGXUENRMEMQ-ZJUUUORDSA-N	266.301	1.486	5	40	CDBB	
Cc1cc(C(=O)Nc2cc(C)[nH]c(=O)n2)cc([N+](=O)[O-])c1	96007622	NASLOBISOSUQRM-UHFFFAOYSA-N	288.263	1.547	5	40	CDBB	
O=C1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1	7984878	OPNFGVXQVVQKBR-UHFFFAOYSA-N	255.661	1.184	5	40	CDBB	
O=[N+]([O-])c1cnn(Cc2noc(-c3ccoc3)n2)c1	69622335	MFJTYWQXHBQVFQ-UHFFFAOYSA-N	261.197	1.483	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)N(C)C	49334091	KBFHLKTVDYKEAF-UHFFFAOYSA-N	260.271	1.088	5	40	CDBB	
O=C(O)C[C@H](n1ccc([N+](=O)[O-])n1)C(F)(F)F	685936532	DQBQJCXICMOCEV-BYPYZUCNSA-N	253.136	1.369	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1N[C@@H]1c2ccccc2C[C@@H]1O	48894468	FZHQEJZQLYTKLH-WDEREUQCSA-N	274.280	1.399	5	40	CDBB	
C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)[C@@H]1C	96501120	BTCKQCANFSUYKP-DTWKUNHWSA-N	299.352	1.477	5	40	CDBB	
CS(=O)(=O)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1	95097876	SRRCRLRFNOCSDT-UHFFFAOYSA-N	267.266	1.388	5	40	CDBB	
O=C(c1cnccn1)N1CCc2ccc([N+](=O)[O-])cc21	32873587	BLKZSWMRUCYLCY-UHFFFAOYSA-N	270.248	1.588	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1ccco1	89794427	CIVXXBQGJGVSKB-GFCCVEGCSA-N	290.275	1.580	5	40	CDBB	
O=[N+]([O-])c1ccc(-n2nc(N3CCOCC3)cc2O)cc1	100523925	JMZGSSTYDPQMTP-UHFFFAOYSA-N	290.279	1.323	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	3158755	FIPUZPDKKLFFRA-UHFFFAOYSA-N	256.170	1.385	5	40	CDBB	
COc1ccc(OC)c([N+](=O)[O-])c1N1CCOCC1	4347725	CDUSWKYYGDMNHN-UHFFFAOYSA-N	268.269	1.449	5	40	CDBB	
Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])no1	44474436	YJHTVTUIEYONOW-LSJOCFKGSA-N	265.269	1.312	5	40	CDBB	
C[C@](O)(CNc1ccc([N+](=O)[O-])cc1)CN1CCOCC1	95972045	YATHHFUSYTVYIP-AWEZNQCLSA-N	295.339	1.090	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](O)C1	29244069	XBNPEJBSXJFMGM-JTQLQIEISA-N	280.280	1.343	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(N)=O)C(C)C)c1	89611910	WKNGUKJOGYRYME-LLVKDONJSA-N	279.296	1.143	5	40	CDBB	
N[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12	195562267	HEDFEIAKBWDXRK-JLLWLGSASA-N	275.308	1.404	5	40	CDBB	
C[C@H](O)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	97232761	DFBRNRHAVABDRV-SMDDNHRTSA-N	292.335	1.899	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH]n1	41031551	ORRBNEXXOOMYGB-UHFFFAOYSA-N	260.253	1.556	5	40	CDBB	
CC(C)NS(=O)(=O)c1ccc(N2CCC2)c([N+](=O)[O-])c1	23618444	ZRNAVVOFECPMKV-UHFFFAOYSA-N	299.352	1.492	5	40	CDBB	
O=C(OCC(=O)c1ccc[nH]1)c1cccc([N+](=O)[O-])c1	9336251	YJZCOTZPHQTEBB-UHFFFAOYSA-N	274.232	1.963	5	40	CDBB	
NC(=O)c1ccc(Oc2ncccc2[N+](=O)[O-])cc1	5589019	VVFWOOFPELOIQU-UHFFFAOYSA-N	259.221	1.881	5	40	CDBB	
NS(=O)(=O)C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	71899628	FWWBOLPUSOZNCV-SNVBAGLBSA-N	299.352	1.100	5	40	CDBB	
COc1ccc(-c2noc([C@H]3C[C@@H]3[N+](=O)[O-])n2)c(OC)c1	69873947	ZROHZYNMPQAWBH-UWVGGRQHSA-N	291.263	1.886	5	40	CDBB	
CCOCCCNC(=O)c1c(N)cccc1[N+](=O)[O-]	95997649	QIDNRDOFIFFDLV-UHFFFAOYSA-N	267.285	1.333	5	40	CDBB	
O=[N+]([O-])c1cn(C[C@H](O)c2ccc(F)cc2)cn1	36393934	HMYNAWPAPPICNW-JTQLQIEISA-N	251.217	1.664	5	40	CDBB	
O=C(NC(=S)N1CCCC1)c1ccccc1[N+](=O)[O-]	513301	WOEWPYUCGOMNNT-UHFFFAOYSA-N	279.321	1.705	5	40	CDBB	
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	1040975	HEDITMITCYPBCO-UHFFFAOYSA-N	281.087	1.005	5	40	CDBB	
CCOC(=O)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	4028477	JPHOAYNPGBNGHY-FTLRAWMYSA-N	284.376	1.502	5	40	CDBB	
O[C@H]1c2ccc3cc4ccccc4cc3c2[C@H](O)[C@@H](O)[C@@H]1O	6118896	OBPNVPPKXVIGQS-WNRNVDISSA-N	296.322	1.795	5	40	CDBB	
O=C(O)C/C=C1/Nc2ccc([N+](=O)[O-])cc2OC1=O	100447384	RBIHSFAGPPJNCG-FPYGCLRLSA-N	264.193	1.284	5	40	CDBB	
CC(C)(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	5221192	GVBZEQSEMKCDRK-UHFFFAOYSA-N	290.275	1.806	5	40	CDBB	
COCc1noc(COc2ccc([N+](=O)[O-])cc2)n1	72274967	AZBKHBYMFWWDAR-UHFFFAOYSA-N	265.225	1.703	5	40	CDBB	
CC(C)n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O	40398648	SMRFRRAAYNKUFF-UHFFFAOYSA-N	298.346	1.490	5	40	CDBB	
COc1cc(NC[C@H](C)N2CCOCC2)cc([N+](=O)[O-])c1	84640115	MKAFJPFQZNDKQD-NSHDSACASA-N	295.339	1.736	5	40	CDBB	
O=c1c(Br)c[nH]c(Cl)c1[N+](=O)[O-]	202632544	YVQPTAXSYQOMPW-UHFFFAOYSA-N	253.439	1.699	5	40	CDBB	
CC(=O)N[C@H](COC(C)=O)c1ccccc1[N+](=O)[O-]	26894909	JJHIYYYLTMNAHH-LLVKDONJSA-N	266.253	1.335	5	40	CDBB	
Cn1cnnc1Sc1ccc(C=O)cc1[N+](=O)[O-]	3280889	YDKSYOUKMKMINV-UHFFFAOYSA-N	264.266	1.687	5	40	CDBB	
COC(=O)c1ccccc1Oc1ncnc(N)c1[N+](=O)[O-]	44928560	FHRDSDQCLVQTQR-UHFFFAOYSA-N	290.235	1.546	5	40	CDBB	
CCOC(=O)c1c(C)nn(-c2ccc([N+](=O)[O-])cn2)c1C	4050218	ISVSKRZYECTHHI-UHFFFAOYSA-N	290.279	1.969	5	40	CDBB	
Cc1nn(C)c(C(=O)O[C@H](C)C(C)C)c1[N+](=O)[O-]	97016268	DFTNGRCDBIFZRV-MRVPVSSYSA-N	255.274	1.838	5	40	CDBB	
O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1CC=CC1	95939990	SIGAQZYBGNSPSX-UHFFFAOYSA-N	282.321	1.733	5	40	CDBB	
Cc1ccc(C)n1C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	89652246	NYGUGGAEYFMVJZ-ZIAGYGMSSA-N	291.351	1.934	5	40	CDBB	
CCCN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	409222056	BRZGHDDQTOIIPY-SOFGYWHQSA-N	265.225	1.491	5	40	CDBB	
O=c1[nH]c2ccccc2/c(=N/Nc2ccc([N+](=O)[O-])cc2)o1	4094832	KQTWONOIZKLFND-LGMDPLHJSA-N	298.258	1.957	5	40	CDBB	
CNC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	3338347	ODIMEKWHENWUMS-UHFFFAOYSA-N	272.644	1.151	5	40	CDBB	
C[C@H]1CN(c2nc(Cl)nc(N)c2[N+](=O)[O-])C[C@H](C)O1	5164911	LBIPHLQPJSTVAF-WDSKDSINSA-N	287.707	1.234	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(F)c2)n1	4306353	VVVWGFVAXRWEMB-UHFFFAOYSA-N	278.247	1.891	5	40	CDBB	
CC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1	6416924	BUTSOGNVQVSCMS-UHFFFAOYSA-N	291.307	1.466	5	40	CDBB	
NC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21	95983957	WGSQOSLLGDXSHM-UHFFFAOYSA-N	254.633	1.083	5	40	CDBB	
Cc1cn([C@@H](CC(=O)O)C(F)(F)F)nc1[N+](=O)[O-]	675031821	PCAHBAGWUFPHHQ-YFKPBYRVSA-N	267.163	1.678	5	40	CDBB	
C[N+]1(CCC[N+]2(C)C[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2)CCOCC1	1682909	IAGUZLAALPHMBW-WRZFVABXSA-N	292.467	1.752	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1	24635263	OXMVRCOJOBYZPF-UHFFFAOYSA-N	250.254	1.960	5	40	CDBB	
Cc1ccccc1/C=C/c1nc(O)c([N+](=O)[O-])c(=O)[nH]1	9234996	KGAHESWSRBIQTO-VOTSOKGWSA-N	273.248	1.863	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCCC1	2777556	KRDXCXNJGYQIHU-UHFFFAOYSA-N	252.274	1.240	5	40	CDBB	
CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](O)(C(F)F)C1	6755544	ZCEDHCKYIZJNMQ-LBPRGKRZSA-N	299.233	1.770	5	40	CDBB	
O=C1CSC(=O)N1Cc1cccc([N+](=O)[O-])c1	44172085	KHRFPUQTWPPQEZ-UHFFFAOYSA-N	252.251	1.790	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(S[C@@H](C)C(=O)O)n1	80914	LFZCKGHKKKCAMI-YFKPBYRVSA-N	258.255	1.564	5	40	CDBB	
O=C(Nc1nncs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3016640	BFXFLDBDGZXSDO-UHFFFAOYSA-N	295.236	1.607	5	40	CDBB	
CC(C)Cc1nnc([C@@H](C)n2cc([N+](=O)[O-])cn2)o1	97047997	IELVBZYEIKWMKT-MRVPVSSYSA-N	265.273	1.982	5	40	CDBB	
CCCCCN1CC(=O)N[C@H]1c1ccc([N+](=O)[O-])c(O)c1	97052971	RWCSGRJGMORDQF-CQSZACIVSA-N	293.323	1.921	5	40	CDBB	
O=C(O)C1CN(c2nc(Cl)ccc2[N+](=O)[O-])C1	4105127	KEPVGINXQPHWQC-UHFFFAOYSA-N	257.633	1.164	5	40	CDBB	
COC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	5688273	MLLZQHITZQJXPO-QMMMGPOBSA-N	268.269	1.813	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CCCS(=O)(=O)C(C)C	95990845	MLIXSYBJAIBYLJ-UHFFFAOYSA-N	275.330	1.313	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(F)c1	5038943	NAJXRLRJLTZNEM-UHFFFAOYSA-N	291.238	1.534	5	40	CDBB	
COc1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C	368741	GDLCNZYMRVYTCT-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)[N+](=O)[O-]	42905602	KVTULAZMZRAQOD-QHHAFSJGSA-N	252.182	1.961	5	40	CDBB	
CCOC(=O)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)n1C	1601763	JQVKUDAQKAFNPT-UHFFFAOYSA-N	291.263	1.261	5	40	CDBB	
CC(C)(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1N	25256924	CWDKVVLPNYPCNQ-UHFFFAOYSA-N	280.280	1.949	5	40	CDBB	
O=C(O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	15443061	JKTHVFRONFGBAF-QMMMGPOBSA-N	251.242	1.291	5	40	CDBB	
COc1cc2c(C)nc3c(O)n[nH]c(=O)c3c2cc1OC	18155457	FGNKGKYAOSQOJF-UHFFFAOYSA-N	287.275	1.503	5	40	CDBB	
C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O	72293630	LEZAMRKIGMRJBA-WDEREUQCSA-N	280.324	1.661	5	40	CDBB	
CC[C@H](C(=O)O)n1cc([N+](=O)[O-])c(OCC(F)F)n1	408715985	HNXQCKJKJSGZNK-RXMQYKEDSA-N	279.199	1.471	5	40	CDBB	
CC1=C(C(=O)O)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1	38856778	PRDVRYDVJJPJMM-SNVBAGLBSA-N	276.248	1.557	5	40	CDBB	
O=C1[C@@H]2CCCN2C(=O)N1Cc1c(F)cccc1[N+](=O)[O-]	78440776	IXHZREPQAVMPBZ-NSHDSACASA-N	293.254	1.661	5	40	CDBB	
C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1C[C@H]2CC[C@H]1C2	101157579	ONZJXTGMENCZSV-VPOLOUISSA-N	293.327	1.127	5	40	CDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2c[nH]c3ccccc23)N1	1767151	DXLCPMHCXGLSGL-YPMHNXCESA-N	259.265	1.764	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1C(=O)Nc1ccc(F)cc1	4629509	DMPZHZPYPVYKPG-UHFFFAOYSA-N	264.216	1.720	5	40	CDBB	
COc1ccc(/C=C2\N=C(C)OC2=O)cc1[N+](=O)[O-]	6690994	AVHSXBWDROAZHU-UITAMQMPSA-N	262.221	1.920	5	40	CDBB	
CSCCn1cnc2ccc([N+](=O)[O-])cc2c1=O	8429841	QUSXOLFFZUHPIR-UHFFFAOYSA-N	265.294	1.668	5	40	CDBB	
O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1ccccn1	97094991	MXSFZBVBEUBKTC-UHFFFAOYSA-N	271.232	1.946	5	40	CDBB	
COc1ccccc1Nc1nc(=O)[nH]c(C)c1[N+](=O)[O-]	5276892	AJQWPQJHAJCKCG-UHFFFAOYSA-N	276.252	1.739	5	40	CDBB	
O=Cc1ccc(SCCC(=O)O)c([N+](=O)[O-])c1	16384700	DUYDHRXAJVMKQJ-UHFFFAOYSA-N	255.251	1.974	5	40	CDBB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(OC)cc21	88693	SCGYISXIFOUPQT-UHFFFAOYSA-N	265.269	1.760	5	40	CDBB	
C[C@@H](CCc1cccn1C)Nc1ncc([N+](=O)[O-])c(N)n1	76064134	IOKJWSGZRKSAIE-VIFPVBQESA-N	290.327	1.739	5	40	CDBB	
C[C@H](C(=O)O)n1nc([N+](=O)[O-])cc1C(F)(F)F	35655546	AMXSCKYCGJVYMH-GSVOUGTGSA-N	253.136	1.456	5	40	CDBB	
COc1cc(N2CCNC[C@H]2C)ccc1[N+](=O)[O-]	91356011	KDXPBEPJFGKOLA-SECBINFHSA-N	251.286	1.402	5	40	CDBB	
CS(=O)(=O)c1snnc1-c1ccc([N+](=O)[O-])cc1	96525381	BQLGPLNSKREZIR-UHFFFAOYSA-N	285.306	1.517	5	40	CDBB	
Cc1cc(C)c(NC(=O)/C=C\C(=O)O)c([N+](=O)[O-])c1	33712612	AIGOSUULOHPKMF-ARJAWSKDSA-N	264.237	1.791	5	40	CDBB	
O=[N+]([O-])c1cccc(-n2nnnc2CN2CCCCC2)c1	4907290	MIMIBEIPNCGTMI-UHFFFAOYSA-N	288.311	1.556	5	40	CDBB	
O=C(COC(=O)C1CC1)Nc1cccc([N+](=O)[O-])c1	3291156	QLKLDRVPKIKSOI-UHFFFAOYSA-N	264.237	1.487	5	40	CDBB	
COC(=O)c1ccc(-c2noc([C@@H]3C[C@@H]3[N+](=O)[O-])n2)cc1	75610047	TUWJPKRBBUWBME-ZJUUUORDSA-N	289.247	1.656	5	40	CDBB	
COCC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1	79002269	XFCPMZJCDJJAES-UHFFFAOYSA-N	254.290	1.107	5	40	CDBB	
O=C(CSc1ccc([N+](=O)[O-])cn1)N1CCCC1	160215064	XUCWUDWIIAXOKP-UHFFFAOYSA-N	267.310	1.704	5	40	CDBB	
Cc1cc(=O)c(C(=O)O)cn1Nc1cccc([N+](=O)[O-])c1	20366145	CAVKMZCYKVFBDF-UHFFFAOYSA-N	289.247	1.638	5	40	CDBB	
CCOc1ccc(C(=O)Nc2cnn(C)c2)cc1[N+](=O)[O-]	25306155	KRJXUKHRYRMAMQ-UHFFFAOYSA-N	290.279	1.979	5	40	CDBB	
O=C(CSC1=NCCN1)Nc1cccc([N+](=O)[O-])c1	3241797	IQIWLITXLGCSBE-UHFFFAOYSA-N	280.309	1.226	5	40	CDBB	
Cc1nn([C@H](C)C(=O)Nc2nccs2)cc1[N+](=O)[O-]	2781009	CRMYXZXSFWFFCD-SSDOTTSWSA-N	281.297	1.756	5	40	CDBB	
COC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N(C)C1	9060648	NGVOBADSMSYOIY-SECBINFHSA-N	250.254	1.376	5	40	CDBB	
O=[N+]([O-])c1ncn(Cc2cn3cc(Cl)ccc3n2)n1	48603290	ONGKEYKKFAGDRH-UHFFFAOYSA-N	278.659	1.536	5	40	CDBB	
NC(=O)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	7977462	RCSKAQWCGMCQMT-UHFFFAOYSA-N	283.715	1.950	5	40	CDBB	
CC(C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	97115306	FOUFMPJKPCMBFE-UHFFFAOYSA-N	259.287	1.063	5	40	CDBB	
Nn1c(Sc2ccccc2[N+](=O)[O-])nnc1C(F)F	216903720	QKGZCABVNJZCBP-UHFFFAOYSA-N	287.251	1.989	5	40	CDBB	
CNC(=O)c1ccc(N2CCCO2)c([N+](=O)[O-])c1	96011372	IIXMMKBBILKFGF-UHFFFAOYSA-N	251.242	1.096	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O)CC1=O	19944681	BEMVCPJZBJNGPJ-ZETCQYMHSA-N	280.236	1.041	5	40	CDBB	
Cn1cc([N+](=O)[O-])nc1C(=O)C(Cl)(Cl)Cl	71788594	INKVZBLTZFTRTH-UHFFFAOYSA-N	272.475	1.881	5	40	CDBB	in-vitro
O=C(Cc1ccccc1[N+](=O)[O-])Nc1c[nH]ccc1=O	47929421	KDESQDZTOUILNW-UHFFFAOYSA-N	273.248	1.464	5	40	CDBB	
CCOC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	3322130	GSZHWCWKYHLXHO-UHFFFAOYSA-N	261.237	1.957	5	40	CDBB	
CCn1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1	2796526	PPPJVSKIORJARF-UHFFFAOYSA-N	274.280	1.741	5	40	CDBB	
CN(c1ccccn1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	48671894	KBBOHMOAQQWDLP-UHFFFAOYSA-N	293.304	1.815	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)s1	66327054	BEFVRMGEURQHDX-ZETCQYMHSA-N	292.338	1.114	5	40	CDBB	
Cc1cnc(NCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	78628746	ZUEBKTHCNGLISC-VXGBXAGGSA-N	294.355	1.819	5	40	CDBB	
Cn1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c1	97235055	QFMQNHYJAQHDHV-UHFFFAOYSA-N	274.280	1.446	5	40	CDBB	
C[C@H]1C[C@@H](C)CN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1	46880797	LCSXIXGVCNQSHY-PHIMTYICSA-N	295.339	1.896	5	40	CDBB	
O=C(O)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	20200020	NJGGZRBXZSKDMT-UHFFFAOYSA-N	272.644	1.453	5	40	CDBB	
O=Cc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1	4402210	GLGWORSQFJEREQ-AATRIKPKSA-N	287.231	1.367	5	40	CDBB	
O=C(NCCc1ccncc1)c1ccc([N+](=O)[O-])cc1	151085	FJJMKCXOAHZIIK-UHFFFAOYSA-N	271.276	1.962	5	40	CDBB	
COc1ccc(-c2nc[nH]c2[N+](=O)[O-])cc1[N+](=O)[O-]	3157474	PJIBZFKCVLRFBZ-UHFFFAOYSA-N	264.197	1.902	5	40	CDBB	
O=c1nc2c3ccccc3[nH]c(=O)n2nc1-c1ccccc1	14162602	JVSWNLKZYRHQRG-UHFFFAOYSA-N	290.282	1.598	5	40	CDBB	
CC(=O)c1ccc(N(C)CC(=O)N(C)C)c([N+](=O)[O-])c1	7981548	OTTNMAVVFABRPD-UHFFFAOYSA-N	279.296	1.322	5	40	CDBB	
COCCN(CCNc1nccc(C)c1[N+](=O)[O-])C1CC1	72286176	JENNNHHZVXKETL-UHFFFAOYSA-N	294.355	1.821	5	40	CDBB	
O=[N+]([O-])c1ccc(Sc2nccc(O)n2)c2nonc12	408602334	BSBDTYAJBNLBJI-UHFFFAOYSA-N	291.248	1.778	5	40	CDBB	
C[C@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	72094761	LJTWJGJYXAIDMI-CPCISQLKSA-N	298.320	1.137	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C(Cl)N2	95096755	WNSZRAMJIPQQBJ-UHFFFAOYSA-N	261.646	1.304	5	40	CDBB	
O=C1CCC(=O)N1c1ccc([N+](=O)[O-])cc1Cl	5427599	QSKTXKNNHJPBFA-UHFFFAOYSA-N	254.629	1.902	5	40	CDBB	
Cc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)ccn1	10215435	PQRCEKCWUBYEGB-UHFFFAOYSA-N	289.295	1.750	5	40	CDBB	
O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)c2nonc12	33012181	WWSIVORJHWMSIF-SSDOTTSWSA-N	264.241	1.722	5	40	CDBB	
C[C@H](C(=O)Nc1nccs1)n1cc([N+](=O)[O-])cn1	4623210	NGWOGGCTMMYEEF-ZCFIWIBFSA-N	267.270	1.448	5	40	CDBB	
CC1=NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	19203102	IRJKDRMFHFVCBB-UHFFFAOYSA-N	269.282	1.018	5	40	CDBB	
Cc1nn(CC(=O)NC(C)(C)C)c(C)c1[N+](=O)[O-]	3291005	IHBVZBKZEXXARF-UHFFFAOYSA-N	254.290	1.323	5	40	CDBB	
Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H]1CCOC1=O	26113103	JGLADVTYHHXAEA-SECBINFHSA-N	265.221	1.376	5	40	CDBB	
Cc1cc(N2CCN([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-]	84116889	HCEATAGLARIYCE-GFCCVEGCSA-N	292.339	1.209	5	40	CDBB	
CC(C)(C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	20458770	ODYKKKWODPDMLF-UHFFFAOYSA-N	272.326	1.813	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCCCN1CCCC1	10450024	GDYMLSQYRAFKKW-UHFFFAOYSA-N	291.351	1.739	5	40	CDBB	
Cc1nn(Cc2nc(N)c3ccccc3n2)c(C)c1[N+](=O)[O-]	9117594	BHQBZIGBUPDDMO-UHFFFAOYSA-N	298.306	1.982	5	40	CDBB	
CC(C)N1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1	69848928	RHQXEAFLBZAHHL-CYBMUJFWSA-N	291.351	1.736	5	40	CDBB	
CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1	195574553	YAVDQGIPNSVMKC-UHFFFAOYSA-N	270.310	1.816	5	40	CDBB	
O=C(NCCCO)c1ccc2nc3ccccc3nc2c1	96567851	VNRWXMCEFJGOFB-UHFFFAOYSA-N	281.315	1.895	5	40	CDBB	
CCOC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1	3913749	YVBURBOSAMMNRR-UHFFFAOYSA-N	268.269	1.830	5	40	CDBB	
O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCO1	115650	MNMRONZETGMRTD-SNVBAGLBSA-N	280.280	1.269	5	40	CDBB	
COC(=O)c1cc(C(=O)NCC(C)C)cc([N+](=O)[O-])c1	60824	ZDMUJVNZKXNDGU-UHFFFAOYSA-N	280.280	1.767	5	40	CDBB	
O=C(NCC1CCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2	31440781	FREZWRIBELQKIE-UHFFFAOYSA-N	292.291	1.896	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=c1/cccc[nH]1	4713569	DQQOMEKCVFTQMA-UHFFFAOYSA-N	293.304	1.521	5	40	CDBB	
NC(=O)c1ccc(NCC[C@H]2CCCO2)c([N+](=O)[O-])c1	24202713	PVZYAHOPUMEARE-SNVBAGLBSA-N	279.296	1.675	5	40	CDBB	
Cc1cc(N2CCc3nc(N)sc3C2)ncc1[N+](=O)[O-]	76092855	ITEVTGMVWQKELB-UHFFFAOYSA-N	291.336	1.900	5	40	CDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC2(C1)OCCO2	69973427	OSVQYLLLQOMTME-UHFFFAOYSA-N	293.279	1.576	5	40	CDBB	
CCn1cc(I)c([N+](=O)[O-])n1	95836837	LKTHELXNZNBHOB-UHFFFAOYSA-N	267.026	1.416	5	40	CDBB	
C[N@+]12CCCC[C@H]1[C@@H](COC(=O)CCN)CCC2	254352100	YUWVOVMUDMIUFN-DVOMOZLQSA-N	255.382	1.288	5	40	CDBB	biogenic,in-vitro
CCN(CCC(=O)O)C(=O)c1cccc([N+](=O)[O-])c1	38022933	ZIWRZILAOROAGA-UHFFFAOYSA-N	266.253	1.532	5	40	CDBB	
CN(C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	13632083	OUOWDKVVYFXSRB-VMPITWQZSA-N	263.297	1.286	5	40	CDBB	
C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)O1	5861129	HRMKSEQWKBYFGC-RKDXNWHRSA-N	279.296	1.307	5	40	CDBB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1	103874230	SPRNKGDSALGSGC-UHFFFAOYSA-N	277.236	1.251	5	40	CDBB	
C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CCO1	32796835	XLXNKSSEGLCDPV-QMMMGPOBSA-N	290.279	1.332	5	40	CDBB	
O=C(CNc1ccc(F)c([N+](=O)[O-])c1)N1CCOCC1	3364932	YKCVDWUSYSXKMT-UHFFFAOYSA-N	283.259	1.005	5	40	CDBB	
C[C@]1(C(=O)O)CC(c2ccccc2[N+](=O)[O-])=NO1	71980988	KOXPDXFFQMVVNG-LLVKDONJSA-N	250.210	1.563	5	40	CDBB	
Nn1c(Sc2ccc([N+](=O)[O-])cc2)nnc1C(F)F	216903246	SCBIXEXFBLJWQH-UHFFFAOYSA-N	287.251	1.989	5	40	CDBB	
COc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1	124471	HLCKSRZFIWCXGK-UHFFFAOYSA-N	262.225	1.579	5	40	CDBB	
Cc1nc(N)nc(OCc2ccccc2)c1[N+](=O)[O-]	12654049	QRPFYXCKZRCRTD-UHFFFAOYSA-N	260.253	1.854	5	40	CDBB	
O=[N+]([O-])c1cc(CSC2=NCCN2)ccc1O	4480811	AGFWYGFUNPIXDH-UHFFFAOYSA-N	253.283	1.493	5	40	CDBB	
COC(=O)c1nn(CCC(F)(F)F)cc1[N+](=O)[O-]	408716806	RDXQZVPQQHEHQP-UHFFFAOYSA-N	267.163	1.530	5	40	CDBB	
CCNc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C(N)=O	225728057	UJASIYIJKQQYDX-UHFFFAOYSA-N	254.202	1.034	5	40	CDBB	
C[C@@H](O)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	97232763	DFBRNRHAVABDRV-BXUZGUMPSA-N	292.335	1.899	5	40	CDBB	
Nc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)s1	5944007	IQXBEJPSUIDUGL-UHFFFAOYSA-N	298.305	1.878	5	40	CDBB	
CCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	12395791	UAAUWEZLSGXQGC-UHFFFAOYSA-N	261.237	1.957	5	40	CDBB	
O=C(CNc1ncccc1[N+](=O)[O-])Nc1ccc(O)cc1	58203156	NYUFSHUSJULDCG-UHFFFAOYSA-N	288.263	1.746	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nccs1	2743807	NHBQXNDDGIQGHH-UHFFFAOYSA-N	267.270	1.277	5	40	CDBB	
Cc1cnc([C@@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)o1	95466024	ZAIZYTWKQZYAMD-ZCFIWIBFSA-N	264.245	1.437	5	40	CDBB	
Cc1n[nH]c(SCC(=O)N2CCCCC2)c1[N+](=O)[O-]	6025118	PSIFGWHKCDIUAC-UHFFFAOYSA-N	284.341	1.731	5	40	CDBB	
O=[N+]([O-])c1cc(CN2CCOCC2)c2c(c1)OCOC2	24203835	JXAYJCPCXLMFJK-UHFFFAOYSA-N	280.280	1.294	5	40	CDBB	
COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cn1	11004573	KYWJKTISKDZEHJ-UHFFFAOYSA-N	287.275	1.928	5	40	CDBB	
CCN(CC)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	3886113	PUXUOVTULZWEHQ-UHFFFAOYSA-N	274.298	1.331	5	40	CDBB	
COc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1	6413350	ZCWNRGGBEGJSLD-UHFFFAOYSA-N	276.252	1.887	5	40	CDBB	
CC[C@H]1COCCN1c1nc2ccccn2c1[N+](=O)[O-]	72286186	BCZNIROJENORNE-JTQLQIEISA-N	276.296	1.858	5	40	CDBB	
Cc1nn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c(C)c1[N+](=O)[O-]	18152462	ZNOWSVPIWHVODB-DTORHVGOSA-N	296.327	1.044	5	40	CDBB	
O=c1oc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1	8887745	BHLYZRQWLIBVKB-UHFFFAOYSA-N	298.254	1.911	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCNCC1	4358782	ZDKRZHDONYTTIP-UHFFFAOYSA-N	276.340	1.605	5	40	CDBB	
C[C@@H](C(=O)Nc1nccs1)n1cc([N+](=O)[O-])cn1	4686638	NGWOGGCTMMYEEF-LURJTMIESA-N	267.270	1.448	5	40	CDBB	
Cc1ccc(OC[C@@H]2NCCS2)cc1[N+](=O)[O-]	20390602	PDQTWEZRPLDAPK-LLVKDONJSA-N	254.311	1.945	5	40	CDBB	
O=C(O)COc1c(F)cc([N+](=O)[O-])cc1[N+](=O)[O-]	1706133	UCRNUJKDSAWYLZ-UHFFFAOYSA-N	260.133	1.106	5	40	CDBB	
COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(C)=O	8988337	SAMBXQHGUHLBRV-XFFZJAGNSA-N	264.237	1.245	5	40	CDBB	
COc1ccc([C@H](CC(=O)O)C[N+](=O)[O-])cc1OC	57556811	BCFJACPTXUWXJU-SECBINFHSA-N	269.253	1.539	5	40	CDBB	
O=c1[nH]cnc2cc(NC[C@H]3CCCO3)c([N+](=O)[O-])cc12	29186950	DKXQWTCJHAHVIX-MRVPVSSYSA-N	290.279	1.422	5	40	CDBB	
CCOC(=O)c1cc(N)n(-c2ccc([N+](=O)[O-])cc2)n1	66348689	SNKCFASFYYFHDA-UHFFFAOYSA-N	276.252	1.539	5	40	CDBB	
C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCCC1	65533459	XCWPZCYKBGZILV-SNVBAGLBSA-N	292.339	1.391	5	40	CDBB	
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1	6935658	GTIITIZAMFORDW-UHFFFAOYSA-N	283.243	1.995	5	40	CDBB	
Cc1nn(C)c(C(=O)O[C@@H](C)C(C)C)c1[N+](=O)[O-]	97016266	DFTNGRCDBIFZRV-QMMMGPOBSA-N	255.274	1.838	5	40	CDBB	
CC[C@H](C)NC(=O)COc1ccc(C(=O)O)cc1[N+](=O)[O-]	13054068	GMCXARRZWMRXKL-QMMMGPOBSA-N	296.279	1.587	5	40	CDBB	
NC(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	13715547	UUJDNMCDTZWILI-UHFFFAOYSA-N	299.286	1.875	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(O)cc1	31672396	HDFIJFIYBNFZMQ-UHFFFAOYSA-N	289.247	1.101	5	40	CDBB	
O=[N+]([O-])c1cnn(Cc2nccn2CC(F)(F)F)c1	57747832	ABKMCZTUFSHTRQ-UHFFFAOYSA-N	275.190	1.598	5	40	CDBB	
CC(C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1F	87030417	RDKWVJDVDCMXTL-UHFFFAOYSA-N	256.233	1.235	5	40	CDBB	
C[N@+]12CCCC[C@H]1[C@H](N1C(=O)CCC1=O)CCC2	247651135	MYYOGQZKFKTQSS-BFQNTYOBSA-N	251.350	1.297	5	40	CDBB	biogenic,in-vitro
N=C(Nc1ncccc1[N+](=O)[O-])N1CCC[C@H](CO)C1	253574332	SLVIIRJEMSMGFM-VIFPVBQESA-N	279.300	1.041	5	40	CDBB	
CCN(CC)c1cc([N+](=O)[O-])ccc1OP(=O)(O)O	95918470	JCNSHLRENRVSLO-UHFFFAOYSA-N	290.212	1.913	5	40	CDBB	
O=C(NCCCF)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	97081736	IJAIRHOFUDHRHK-LBPRGKRZSA-N	295.270	1.564	5	40	CDBB	
O=C(CSc1ncn[nH]1)Nc1cccc([N+](=O)[O-])c1	5671435	CBINLCQDGZMVGJ-UHFFFAOYSA-N	279.281	1.444	5	40	CDBB	
Cc1nc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)no1	6223685	RIZVCQORQGCGTM-UHFFFAOYSA-N	296.670	1.870	5	40	CDBB	
C[N+]12COC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)OC2	4027375	VNSCAEYOVMUMCH-QAYQGLBKSA-N	251.262	1.427	5	40	CDBB	
O=C(Nn1cnc2ccccc21)c1cc([N+](=O)[O-])cnc1O	24865651	XUSHIRPVPMWGCI-UHFFFAOYSA-N	299.246	1.429	5	40	CDBB	
Cn1ccs/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	29649738	WHEUHVCRTIBHSM-QXMHVHEDSA-N	263.278	1.736	5	40	CDBB	
O=C(NCc1ncccc1F)c1cc([N+](=O)[O-])ccc1O	97052720	WXEYZNFXTNMQBE-UHFFFAOYSA-N	291.238	1.765	5	40	CDBB	
CC1=NN(c2ccccc2)C(=O)[C@]12[C@@H](C)[C@H]2[N+](=O)[O-]	248051304	SIWDEOAYYTUWNB-RLCGTCKNSA-N	259.265	1.691	5	40	CDBB	
CC(=O)N[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)O	16320994	ZGRBPNQWNJPFJP-NSHDSACASA-N	298.320	1.417	5	40	CDBB	
O=[N+]([O-])c1ccc(CNCCCN2CCOCC2)cc1	8728606	GQRGQGYZDIBGHB-UHFFFAOYSA-N	279.340	1.407	5	40	CDBB	
N=c1sccn1CC(=O)Nc1cc([N+](=O)[O-])ccc1F	7238890	ZBEJOKBJPHLBHO-UHFFFAOYSA-N	296.283	1.715	5	40	CDBB	
CCCCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	3141328	NBRXHUSOOODANK-UHFFFAOYSA-N	254.290	1.324	5	40	CDBB	
O=C(NC1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O	12772435	FMHOMQGPRGIHSU-UHFFFAOYSA-N	265.269	1.346	5	40	CDBB	
COC[C@H](CN(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1	6437111	WPTOCXBUQNGTGD-LBPRGKRZSA-N	282.296	1.328	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1	5049842	BICVTMNTHCLMTK-UHFFFAOYSA-N	278.247	1.891	5	40	CDBB	
O=[N+]([O-])c1ccccc1NCCNc1ncccn1	7365889	UUGKFGBYQDIREB-UHFFFAOYSA-N	259.269	1.909	5	40	CDBB	
O=C(NC1=NCCS1)c1cc2cccc([N+](=O)[O-])c2[nH]1	48318220	BGVUDKRUDKJSCN-UHFFFAOYSA-N	290.304	1.909	5	40	CDBB	
N=C(N)SCC(=O)Nc1ccc([N+](=O)[O-])cc1	4015666	SXIJJTQJULQMIK-UHFFFAOYSA-N	254.271	1.160	5	40	CDBB	
O=C1CCN[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	408739133	YBPPUEXMPGTBGY-JTQLQIEISA-N	255.661	1.356	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)O)c2)C[C@H](C)O1	15443606	VWTUGTCIUKZKLA-IUCAKERBSA-N	280.280	1.907	5	40	CDBB	
Cc1c([C@@H](C)NCc2ncnn2C)cccc1[N+](=O)[O-]	95968757	LUAHKWMMQGENLY-SNVBAGLBSA-N	275.312	1.883	5	40	CDBB	
COCCNC(=S)Nc1ccc([N+](=O)[O-])c(C)c1	408587175	RVHMOBQBPWLYIC-UHFFFAOYSA-N	269.326	1.836	5	40	CDBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)O[C@@H]1CCOC1	78612190	SCTMERAQGZBUIP-ZYOFXKKJSA-N	263.249	1.940	5	40	CDBB	
C[C@@H](CC(=O)O)n1cc(-n2cc([N+](=O)[O-])cn2)cn1	685936735	UOWOXAACLKSJCH-ZETCQYMHSA-N	265.229	1.013	5	40	CDBB	
Cc1n[nH]c(C)c1CNc1ccc(C(N)=O)cc1[N+](=O)[O-]	78806369	QRNFNOIVECEOKY-UHFFFAOYSA-N	289.295	1.646	5	40	CDBB	
COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1	188515589	NMWQYPYMCKHUSQ-LBPRGKRZSA-N	279.296	1.332	5	40	CDBB	
Nc1ncccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	206581271	JYJHVQWCEPBRLH-UHFFFAOYSA-N	276.227	1.963	5	40	CDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N1	99320	CALXKFHEBRCNOE-ONGXEEELSA-N	254.673	1.936	5	40	CDBB	
C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccco1	25464434	YHHICMXFBHXOLT-QMMMGPOBSA-N	264.241	1.262	5	40	CDBB	
COc1ccc(NC(=O)NC[C@@H](C)O)c([N+](=O)[O-])c1	14201673	WUEVSSCOOPAGJW-SSDOTTSWSA-N	269.257	1.106	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(C)CC1	7344373	BVXQSMLOTGNDBM-UHFFFAOYSA-N	266.301	1.358	5	40	CDBB	
COc1cc(CNC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC	69535325	AXOALYFCCZJWPW-LLVKDONJSA-N	296.323	1.881	5	40	CDBB	
O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	227218757	OMOUCINQOUGMPO-KKOKHZNYSA-N	286.243	1.038	5	40	CDBB	
O=C1CCCCN1c1cc2c(cc1[N+](=O)[O-])OCO2	96180975	TXFABAVIOTWVMB-UHFFFAOYSA-N	264.237	1.840	5	40	CDBB	
O=C(NCCCn1ccnc1)c1ccc([N+](=O)[O-])s1	5268867	CYSSECGGKUJSTI-UHFFFAOYSA-N	280.309	1.673	5	40	CDBB	
O=C(O)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1	13079418	XXIQARNLBQTHCR-UHFFFAOYSA-N	295.295	1.037	5	40	CDBB	
O=C(O[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1	3233959	MVSUOPAOEGOYHZ-SECBINFHSA-N	251.194	1.067	5	40	CDBB	
C[C@H]1CN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1	32770203	VWHLDVLNJXTVOT-VIFPVBQESA-N	293.279	1.181	5	40	CDBB	
O=C(Nc1nc(C2CC2)cs1)[C@@H]1C[C@@H]1[N+](=O)[O-]	44487549	VOMZNOZRDNTUPM-SVRRBLITSA-N	253.283	1.624	5	40	CDBB	
CN(CCc1ccccn1)c1ncc([N+](=O)[O-])c(N)n1	48544146	SXULRDSSBMWVOW-UHFFFAOYSA-N	274.284	1.041	5	40	CDBB	
COc1ccc(NC(=O)N[C@H](C)CO)c([N+](=O)[O-])c1	12989492	FQZQBIWEPMSWAM-SSDOTTSWSA-N	269.257	1.106	5	40	CDBB	
CC(C)(C)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	6646611	PJBZUBJNGKLYPB-UHFFFAOYSA-N	290.275	1.806	5	40	CDBB	
CCNC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	8290498	AKNSYGXIISYRDT-QMMMGPOBSA-N	266.253	1.276	5	40	CDBB	
O=C(O)/C=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	20368987	OEJGXBPLQVDBTF-DAFODLJHSA-N	278.264	1.529	5	40	CDBB	
O=C(O)c1ncc(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)O	35572202	VNYFKVIKEHVPTJ-UHFFFAOYSA-N	289.203	1.448	5	40	CDBB	
Cc1c(CC(=O)N2CCC[C@H]2CO)cccc1[N+](=O)[O-]	133139394	FBTPGSAGWCQGTD-LBPRGKRZSA-N	278.308	1.429	5	40	CDBB	
C[C@H](O)CCN(C)c1ncc([N+](=O)[O-])cc1Cl	96429746	QSWSJVOEQQHETK-ZETCQYMHSA-N	259.693	1.850	5	40	CDBB	
Cc1cnc(N[C@@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1	95430292	FWNFFMNEVJAPSH-VHSXEESVSA-N	278.312	1.754	5	40	CDBB	
CN(C)S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl	49333639	IRUWLFLAFKNQHL-UHFFFAOYSA-N	280.689	1.433	5	40	CDBB	
Nc1nnc(Sc2ccc([N+](=O)[O-])c3nonc23)s1	2848446	INJHBVXQDDZNKB-UHFFFAOYSA-N	296.293	1.716	5	40	CDBB	
CC(=O)Oc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-]	3159903	BRXSQDQXBBSUSN-UHFFFAOYSA-N	259.601	1.872	5	40	CDBB	
COC[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1	10320333	XONSKIRCDQLSNE-JTQLQIEISA-N	282.296	1.433	5	40	CDBB	
CC[C@H](CO)NCc1ccc(NC)c([N+](=O)[O-])c1	71792486	QJIIAXLAETVQIV-SNVBAGLBSA-N	253.302	1.497	5	40	CDBB	
COC[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1	18177935	OIYKKKUDCBPKLC-QMMMGPOBSA-N	253.258	1.751	5	40	CDBB	
O=[N+]([O-])c1c(N[C@@H]2CC[S@@](=O)C2)nc2sccn12	76092999	DXAXYWHSKHMNCC-DMWPKQFHSA-N	286.338	1.237	5	40	CDBB	
CN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O	409194559	PRBPCAYYAUMLOT-XVNBXDOJSA-N	297.654	1.476	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCCCOC[C@H]1CCOC1	77229536	HOVWZPPFRCBFCL-LLVKDONJSA-N	281.312	1.845	5	40	CDBB	
O=[N+]([O-])c1ccccc1N1CC[C@H](CN2CCOCC2)C1	78404174	XUXAQUOFMIDYMB-CYBMUJFWSA-N	291.351	1.753	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC1	26159778	ZBYCDIBXLXGBDV-UHFFFAOYSA-N	293.323	1.564	5	40	CDBB	
O=C1NCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl	70193229	JYNHXVBJVQHXBO-UHFFFAOYSA-N	269.644	1.414	5	40	CDBB	
Nc1nc(Oc2ccc(-n3cccn3)cc2)ncc1[N+](=O)[O-]	75142938	BEMULCHJEDOUDN-UHFFFAOYSA-N	298.262	1.945	5	40	CDBB	
O=c1cc(O)nc2sc(-c3ccc([N+](=O)[O-])cc3)nn12	16134374	QMKYXBLYKYZSIG-UHFFFAOYSA-N	290.260	1.432	5	40	CDBB	
O=[N+]([O-])c1ccc([C@H](O)CCN2CCOCC2)cc1	31912171	NJUXTAFGCSOFLR-CYBMUJFWSA-N	266.297	1.351	5	40	CDBB	
CCOC(=O)[C@@H](C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2041993	KUXDAXQUXQMFED-NSHDSACASA-N	296.235	1.739	5	40	CDBB	
O=C(O)[C@@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-]	26897184	NORVPJAWZNMMMZ-VIFPVBQESA-N	254.217	1.787	5	40	CDBB	
CCOC(=O)C1(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CCCCC1	46265687	IBMODIZCNCQIDJ-VHSXEESVSA-N	284.312	1.034	5	40	CDBB	
O=[N+]([O-])c1ncn(Cc2csc(-c3ccccn3)n2)n1	48603222	BALNSYKGBZLJAY-UHFFFAOYSA-N	288.292	1.753	5	40	CDBB	
COCCNC(=O)CSCc1cccc([N+](=O)[O-])c1	408723821	RPHHUMVBFCXHAI-UHFFFAOYSA-N	284.337	1.591	5	40	CDBB	
Cc1ccc(S(=O)(=O)Nc2cn[nH]c2)c([N+](=O)[O-])c1	90230732	ZWYUFQIAFLTYGK-UHFFFAOYSA-N	282.281	1.427	5	40	CDBB	
Cc1cccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n1	9867109	FSZRHRBVSQSTFP-UHFFFAOYSA-N	289.295	1.750	5	40	CDBB	
COC(=O)CN1C(=O)CC(C)(C)c2cc([N+](=O)[O-])ccc21	72220946	OVJHQRQFEODNFB-UHFFFAOYSA-N	292.291	1.782	5	40	CDBB	
Cc1c(N2C[C@@H](C(=O)O)CC2=O)cccc1[N+](=O)[O-]	45953596	CKQOSVDGVUENSD-QMMMGPOBSA-N	264.237	1.341	5	40	CDBB	
O=[N+]([O-])c1cnc(N2CC[C@H](CCO)C2)c(Cl)c1	78365180	UZDALZHFRAIJRH-MRVPVSSYSA-N	271.704	1.852	5	40	CDBB	
COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1	376503	LHDAGJMNDFOXNS-UHFFFAOYSA-N	290.279	1.747	5	40	CDBB	
Cc1ccc(CN(C)C(=O)Cn2ccc([N+](=O)[O-])n2)o1	48170137	KNNPQLXYWWCQGR-UHFFFAOYSA-N	278.268	1.351	5	40	CDBB	
CCCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	5077144	ZUHIBZPRXPRCIG-UHFFFAOYSA-N	296.279	1.885	5	40	CDBB	
O=C(Nc1nc2ncccn2n1)c1ccc([N+](=O)[O-])s1	71795802	OCRMHBMEEBGTSW-UHFFFAOYSA-N	290.264	1.346	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1Cc1nc2ccccc2c(=O)n1C	95990846	JKGXGYDZTBJLKN-UHFFFAOYSA-N	299.290	1.395	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])ccc1=O)NC1CCCCC1	25047796	SBBCSTNGLHRCEJ-UHFFFAOYSA-N	293.323	1.596	5	40	CDBB	
COC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(C)o1	96447892	GTCCNEUORZBRDF-MRVPVSSYSA-N	293.283	1.668	5	40	CDBB	
O=[N+]([O-])c1nccn1CCCCCCN1CCOCC1	13207549	TVYINGBJVCTMMA-UHFFFAOYSA-N	282.344	1.684	5	40	CDBB	
CCOC(=O)[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1	3068442	DHPDDADZYCRALO-GFCCVEGCSA-N	292.291	1.763	5	40	CDBB	
O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](CO)C1	95976272	FOSDCBMIEPXSOA-GFCCVEGCSA-N	278.308	1.368	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1n[nH]nc1Cl	4476229	MZYLHSUENGDQMV-UHFFFAOYSA-N	267.632	1.619	5	40	CDBB	
Cc1nn(CC(=O)N2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-]	4548992	OHMSAQMNVBWHAZ-VIFPVBQESA-N	280.328	1.667	5	40	CDBB	
Cc1c(F)cc(S(=O)(=O)NCCCF)cc1[N+](=O)[O-]	97097221	XIPVUUKLACGGBF-UHFFFAOYSA-N	294.279	1.680	5	40	CDBB	
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)C(F)F	604221492	AWFNMOSJHOFAQV-UHFFFAOYSA-N	255.173	1.730	5	40	CDBB	
CCOC(=O)C[C@H](n1ccc([N+](=O)[O-])n1)C(F)(F)F	685936657	OFBCGEPFWBVNSJ-LURJTMIESA-N	281.190	1.848	5	40	CDBB	
NS(=O)(=O)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1	204775324	BRNWISIWIRXBKF-UHFFFAOYSA-N	286.187	1.141	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccnc1	5571934	CLFKKMGYEWOKAE-UHFFFAOYSA-N	271.276	1.849	5	40	CDBB	
COCCCNC(=S)Nc1ccccc1[N+](=O)[O-]	13686939	ISSKTYHUAVJQLK-UHFFFAOYSA-N	269.326	1.918	5	40	CDBB	
Cc1ccc(OCc2nc(C)no2)c([N+](=O)[O-])n1	23382088	XDBGCWJEWFNHKV-UHFFFAOYSA-N	250.214	1.569	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nncs1	2740372	SULQSGMHARPLGM-UHFFFAOYSA-N	264.266	1.628	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCO2)s1	64240298	BEFVRMGEURQHDX-SSDOTTSWSA-N	292.338	1.114	5	40	CDBB	
O=[N+]([O-])c1ccc(OCc2n[nH]c(-c3cnccn3)n2)cc1	62719629	IMTBAUZLFLPYQT-UHFFFAOYSA-N	298.262	1.749	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1	69675243	SWNGOWCNFRDVTM-UHFFFAOYSA-N	297.267	1.930	5	40	CDBB	
O=[N+]([O-])c1cnc2c(c1)CN(Cc1cnc[nH]1)CC2	390833629	KNJTURSGOQWFJP-UHFFFAOYSA-N	259.269	1.271	5	40	CDBB	
O=C(O)[C@H]1CCCCN1c1ncccc1[N+](=O)[O-]	22176815	LEFPKMYHXKKXMH-SECBINFHSA-N	251.242	1.433	5	40	CDBB	
CCCCNc1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-]	26509020	OZSQWEMUTXLPBF-UHFFFAOYSA-N	282.256	1.814	5	40	CDBB	
O=C(Nc1ccncc1F)c1ccc([N+](=O)[O-])o1	96007545	HTYLACHLLQIMCS-UHFFFAOYSA-N	251.173	1.974	5	40	CDBB	
Cc1cc(NC(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])no1	7202909	ORWKGVWUIHYAAP-MRVPVSSYSA-N	292.251	1.692	5	40	CDBB	
CC1=C(C(=O)O)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1	38856774	PLFQAOMHIGIJPC-SECBINFHSA-N	276.248	1.557	5	40	CDBB	
COCCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	225990536	KRWCMWKSBJTPDJ-UHFFFAOYSA-N	278.308	1.779	5	40	CDBB	
C[C@@H](SCCO)C(=O)Nc1ccc([N+](=O)[O-])cc1	33045884	JRNDFQANLAZDCV-MRVPVSSYSA-N	270.310	1.647	5	40	CDBB	
CCOc1ccccc1[C@H]1NC(=O)CC[C@H]1[N+](=O)[O-]	90882	QCTXZKINYPLXNX-ZWNOBZJWSA-N	264.281	1.682	5	40	CDBB	
O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2CO)c1	63545772	AUEPRFSVRNLXOQ-GFCCVEGCSA-N	266.297	1.430	5	40	CDBB	
Cn1c(CCN2CCCC2=O)nc2cc([N+](=O)[O-])ccc21	6665168	QWTGCLZZOBZZBC-UHFFFAOYSA-N	288.307	1.646	5	40	CDBB	
NC(=O)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1	4703349	YEFPNISJBUARTG-UHFFFAOYSA-N	283.715	1.950	5	40	CDBB	
Cc1cc(N[C@@H](C)Cn2cncn2)ccc1[N+](=O)[O-]	92627034	KFSKLEVSWCCQHW-JTQLQIEISA-N	261.285	1.995	5	40	CDBB	
O[C@H]1c2cc3c(ccc4ccccc43)cc2[C@@H](O)[C@H](O)[C@@H]1O	306147061	SILCUWKIINXJQT-VSZNYVQBSA-N	296.322	1.795	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)c1ccc2c(c1)CCC2	48353460	HIDRCEKHKJXDCN-UHFFFAOYSA-N	272.264	1.558	5	40	CDBB	
O=[N+]([O-])c1cnc(N2CC[C@@H](CCO)C2)c(Cl)c1	78365186	UZDALZHFRAIJRH-QMMMGPOBSA-N	271.704	1.852	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H]2CN2CCOCC2)cc1	160392682	VEVNDORWOBFOHL-OAHLLOKOSA-N	291.351	1.896	5	40	CDBB	
COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cn1	10990433	SEELTGJHHPXPDQ-UHFFFAOYSA-N	287.275	1.928	5	40	CDBB	
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1	45062355	ILTWUBNDUIMLRY-KGLIPLIRSA-N	290.319	1.763	5	40	CDBB	
C[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1(C)C	95940363	NBXDQXQBWSCUII-SNVBAGLBSA-N	280.328	1.686	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C)C1	75581982	NQAIGHWSBFAXKD-SNVBAGLBSA-N	293.323	1.884	5	40	CDBB	
Cc1nn(C(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c1Cl	303519	RXTJDWHRHMRCBD-UHFFFAOYSA-N	283.675	1.484	5	40	CDBB	
CCCOc1ccc([N+](=O)[O-])cc1NCC(=O)O	2187205	KDLLGYRPHNEDQY-UHFFFAOYSA-N	254.242	1.880	5	40	CDBB	
O=C(CNc1ccc([N+](=O)[O-])cn1)N1CCCCC1	48344184	GHUSUESDXGABLU-UHFFFAOYSA-N	264.285	1.414	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCCc1nnc2n1CCCC2	96011417	ZROXSCUHIAAQGB-UHFFFAOYSA-N	288.311	1.572	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1Sc1nnc(C)n1N	70462276	SOVKUJSJTLDYSQ-UHFFFAOYSA-N	265.298	1.668	5	40	CDBB	
CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCCN1	91554157	LWAMIIPZWAJJOV-JTQLQIEISA-N	267.333	1.674	5	40	CDBB	
Cc1cc2nnc(-c3cccc([N+](=O)[O-])c3)n2c2nnnn12	1581385	IXBMTZUULGDHGE-UHFFFAOYSA-N	296.250	1.051	5	40	CDBB	
COc1cc([C@H](CC(=O)O)C[N+](=O)[O-])cc(OC)c1OC	57628676	IXSGPLORKAWRRK-SECBINFHSA-N	299.279	1.547	5	40	CDBB	
C[C@@H]1C[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C(=O)O1	46599831	UPWKDCUGEZYRNP-SKDRFNHKSA-N	264.281	1.731	5	40	CDBB	
O=C(Nc1nncs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	17023664	QDADUPMCSLSMPV-UHFFFAOYSA-N	295.236	1.607	5	40	CDBB	
O=C(OCCc1ccc(F)cc1)[C@H]1C[C@H]1[N+](=O)[O-]	78986216	UMKZTGPGFSWLQT-WDEREUQCSA-N	253.229	1.577	5	40	CDBB	
COc1cc(OC)cc(-c2c([N+](=O)[O-])cnn2CCO)c1	96527500	BPYTXMCMWQFGAA-UHFFFAOYSA-N	293.279	1.468	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(C)on1	371829	CUZZXRASKFRWMB-UHFFFAOYSA-N	265.229	1.360	5	40	CDBB	
COc1ccc(C(OC(C)=O)OC(C)=O)cc1[N+](=O)[O-]	342771	FYLSBODFVILKRR-UHFFFAOYSA-N	283.236	1.728	5	40	CDBB	
Cc1nn(C)c(N2C[C@H](C)O[C@H](C)C2)c1[N+](=O)[O-]	47330951	YQGIBUNOBUEPST-OCAPTIKFSA-N	254.290	1.250	5	40	CDBB	
O=C1CCCN1C(=O)COc1ccccc1[N+](=O)[O-]	6567980	GLQBCVVICYBVIV-UHFFFAOYSA-N	264.237	1.123	5	40	CDBB	
O=C(CCn1cnc([N+](=O)[O-])n1)Nc1cccc(Cl)c1	96424877	GOWQVICJKAEIRA-UHFFFAOYSA-N	295.686	1.869	5	40	CDBB	
CCOC(=O)C1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1	46265685	IBMODIZCNCQIDJ-NXEZZACHSA-N	284.312	1.034	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC=CCC2)n1	95450539	REEGPMHTROXKAA-SECBINFHSA-N	265.269	1.841	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)N2CCNC2=O)c1	12734304	QQGVZQJTDVLMOC-SECBINFHSA-N	293.279	1.222	5	40	CDBB	
Cc1ccc(C)c(OC[C@H](O)Cn2ccc([N+](=O)[O-])n2)c1	195545796	VHJMLUPBHVCRNC-GFCCVEGCSA-N	291.307	1.848	5	40	CDBB	
CC(=O)N/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O	163354	DJEQBISYZQQEJZ-RUDMXATFSA-N	284.655	1.810	5	40	CDBB	
O=C(NCc1ccccc1F)c1cc([N+](=O)[O-])c[nH]c1=O	16496145	BNKYEUJVPORLAY-UHFFFAOYSA-N	291.238	1.352	5	40	CDBB	
CC[C@@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	60825	JADTWIRAJPYXRZ-MRVPVSSYSA-N	280.280	1.910	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Cl)cc1	184350	RKLNPYWTOGCPMV-UHFFFAOYSA-N	281.659	1.478	5	40	CDBB	
CC(C)NC(=O)NC(=O)COc1ccccc1[N+](=O)[O-]	3516118	LGRKXDGMYUJEQU-UHFFFAOYSA-N	281.268	1.208	5	40	CDBB	
COCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1OC	8390415	IVXTUVDBRCQWGF-UHFFFAOYSA-N	271.225	1.327	5	40	CDBB	
CS(=O)(=O)c1n[nH]cc1-c1cccc([N+](=O)[O-])c1	96524731	MGJOKFAGSKBKAQ-UHFFFAOYSA-N	267.266	1.388	5	40	CDBB	
O=c1c([N+](=O)[O-])cc(Br)cn1C(F)F	252500927	TZMVKAWFZMLSCK-UHFFFAOYSA-N	269.001	1.914	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(I)n1	675032564	ZLTCEDVPDDGVMN-UHFFFAOYSA-N	267.026	1.416	5	40	CDBB	
C[C@H](CCc1cccn1C)Nc1ncc([N+](=O)[O-])c(N)n1	76064137	IOKJWSGZRKSAIE-SECBINFHSA-N	290.327	1.739	5	40	CDBB	
CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5064741	RCNDVIGMHZSIEV-ZETCQYMHSA-N	284.224	1.833	5	40	CDBB	
COc1cc(C(=O)N(C)OC)c([N+](=O)[O-])cc1OC	32978609	GSSRTLGYPCKBRN-UHFFFAOYSA-N	270.241	1.245	5	40	CDBB	
Cc1ccc(F)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1	40555285	UZXFVGGTIMIUIU-UHFFFAOYSA-N	279.231	1.273	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)NCc1ccco1	343331	FOWYSEYCTZXCHU-UHFFFAOYSA-N	264.241	1.009	5	40	CDBB	
CCN(CC)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C	2781226	HHGUJWKLGXDIEV-SECBINFHSA-N	297.359	1.097	5	40	CDBB	
CC(=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	6158644	BFJIJVPOUZJCLO-UHFFFAOYSA-N	291.307	1.223	5	40	CDBB	
Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)nc(=O)[nH]1	96007605	ZCHHXNZRBCPOKQ-UHFFFAOYSA-N	288.263	1.168	5	40	CDBB	
CSc1ccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cn1	69813230	WWUAAFZEZOSVNT-UHFFFAOYSA-N	293.308	1.996	5	40	CDBB	
COc1cc(CN[C@H](C)Cn2cccn2)ccc1[N+](=O)[O-]	95462191	ZXJQWCJNXVXWEO-LLVKDONJSA-N	290.323	1.978	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2ccccc21	72332114	HJIHIMWNPBDFEI-UHFFFAOYSA-N	286.291	1.689	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCCNC1	70120607	SHBVJEHJRUFJQJ-JTQLQIEISA-N	299.352	1.015	5	40	CDBB	
C[C@]1(CO)CCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1	95427204	HCQKTYWXTBSXOG-UKRRQHHQSA-N	292.335	1.805	5	40	CDBB	
COC(=O)[C@@H]1CN(C)C[C@H]1c1cccc([N+](=O)[O-])c1	252516213	QNTOCBMKRBNBKQ-NWDGAFQWSA-N	264.281	1.413	5	40	CDBB	
CCOc1cc(CSc2nnnn2C)ccc1[N+](=O)[O-]	276926664	QDLPFRFTACMEJJ-UHFFFAOYSA-N	295.324	1.809	5	40	CDBB	
O=C(NC[C@H]1CCNC1)c1ccc(F)cc1[N+](=O)[O-]	125920877	AHFFSUGNWGVLOH-QMMMGPOBSA-N	267.260	1.073	5	40	CDBB	
Cc1nc2ccccc2n1CCNC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	44465464	LCELQNXMUXZNHU-GXFFZTMASA-N	288.307	1.126	5	40	CDBB	
Cc1nn(C)c(C(=O)N2CCCC[C@H]2C)c1[N+](=O)[O-]	2776920	GQSQUKXQNJCEOQ-MRVPVSSYSA-N	266.301	1.651	5	40	CDBB	
O=[N+]([O-])c1ccnn1Cc1nc(-c2ccco2)no1	48706016	WJBHVYZTSRAVQO-UHFFFAOYSA-N	261.197	1.483	5	40	CDBB	
Cc1nc(SCCN2CCOCC2)ccc1[N+](=O)[O-]	90069657	LYEBSYXIQWQIDZ-UHFFFAOYSA-N	283.353	1.723	5	40	CDBB	
CCCn1nnnc1COc1cc([N+](=O)[O-])ccc1OC	7827640	BSHHJCFVFGQVNR-UHFFFAOYSA-N	293.283	1.579	5	40	CDBB	
COCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1	48287819	XGPYJPCHTZKITO-UHFFFAOYSA-N	293.323	1.326	5	40	CDBB	
NS(=O)(=O)c1cccc(Br)c1[N+](=O)[O-]	169809191	ZSBLCFHOBCMZGU-UHFFFAOYSA-N	281.087	1.005	5	40	CDBB	
O=C1c2ccccc2C(=O)N1CCCCC[N+](=O)[O-]	1857793854	JRKJVFOQSJBDRR-UHFFFAOYSA-N	262.265	1.730	5	40	CDBB	
Cn1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cn1	25309833	IWZKDTLDBYPGLA-UHFFFAOYSA-N	286.251	1.457	5	40	CDBB	
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1[N+](=O)[O-]	68571874	RCMDTCQQXCRLFG-UHFFFAOYSA-N	294.183	1.300	5	40	CDBB	
CC(C)(C)NC(=O)NC(=O)COc1ccccc1[N+](=O)[O-]	3516116	LJRGXAWQNCKCIF-UHFFFAOYSA-N	295.295	1.598	5	40	CDBB	
COc1c(C)cnc(Cn2ccc(=O)c([N+](=O)[O-])c2)c1C	84258143	DLZUUPDLCUEXIY-UHFFFAOYSA-N	289.291	1.825	5	40	CDBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc[nH]n1	72308631	JAXVIMIHFKDBDB-VIFPVBQESA-N	261.285	1.906	5	40	CDBB	
CCNC(=O)C1CN(c2cc(OC)c([N+](=O)[O-])cc2F)C1	95977050	KNPSBDVAIONVDC-UHFFFAOYSA-N	297.286	1.315	5	40	CDBB	
O=[N+]([O-])c1ccc(OCC[C@@H]2CCCCN2)nc1	42774152	LTBYYDKHQDCFMB-JTQLQIEISA-N	251.286	1.901	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc[nH]n3)C2)nc1	96452905	CPSHAEKRBMQBLK-SECBINFHSA-N	274.284	1.492	5	40	CDBB	
O=C(O)Cc1cccc([N+](=O)[O-])c1Br	169800451	FNWSQWJFGNUSFM-UHFFFAOYSA-N	260.043	1.984	5	40	CDBB	
O=[N+]([O-])c1ccc(C2=Nn3cnnc3SC2)o1	5888841	XXYGMDHPEVSWBI-UHFFFAOYSA-N	251.227	1.137	5	40	CDBB	
O=c1[nH]c(/C=C\c2ccccc2F)c([N+](=O)[O-])c(=O)[nH]1	30840531	WTMMNABBVHOZLT-WAYWQWQTSA-N	277.211	1.281	5	40	CDBB	
CCCCNC(=O)COC(=O)c1ccccc1[N+](=O)[O-]	3502404	OWQMPYOTIDOWAV-UHFFFAOYSA-N	280.280	1.668	5	40	CDBB	
O=C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12	6447857	LVPVFWBIIFCUPN-DTWKUNHWSA-N	292.295	1.292	5	40	CDBB	
O=C(OCc1ccccc1[N+](=O)[O-])C1(O)CCCC1	45891438	DJZOOALTKCJGEX-UHFFFAOYSA-N	265.265	1.943	5	40	CDBB	
NC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1	4812738	JQUZAXLKXPLEKD-UHFFFAOYSA-N	299.246	1.974	5	40	CDBB	
Cc1nc(N(CC(N)=O)CC(C)C)ccc1[N+](=O)[O-]	95974184	UMQZWFBYDHQWPJ-UHFFFAOYSA-N	266.301	1.246	5	40	CDBB	
CCCn1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O	40398644	UGMCZGWCNHTAHZ-UHFFFAOYSA-N	298.346	1.319	5	40	CDBB	
COC(=O)C(C)(C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	40504714	JZNKHRUYDYNGQR-CMDGGOBGSA-N	292.291	1.676	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)CN(c1ncccn1)CC2	88764320	PMEWEBPUVBNIQP-UHFFFAOYSA-N	256.265	1.948	5	40	CDBB	
O=[N+]([O-])c1ccc(Cl)cc1OCCn1cncn1	76040655	GHORPXCFZFTYSW-UHFFFAOYSA-N	268.660	1.919	5	40	CDBB	
CCN(CC)c1c([N+](=O)[O-])c(=O)nc2ccccn12	5521385	WERWVIDEDDWKQX-UHFFFAOYSA-N	262.269	1.449	5	40	CDBB	
CC(C)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	15207990	ZJRLEPATMIYTCC-UHFFFAOYSA-N	273.314	1.310	5	40	CDBB	
O=C1N[C@](O)(c2ccc([N+](=O)[O-])cc2)c2ccccc21	1432406	TYLVIRMISGMXRS-AWEZNQCLSA-N	270.244	1.532	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])c1ccc(C(N)=O)nn1	78953675	FEQQICYLJNMNRQ-UHFFFAOYSA-N	287.279	1.120	5	40	CDBB	
C[C@H](C(=O)O)n1cc([N+](=O)[O-])c(C(F)(F)F)n1	2537835	NSLLFDRUMYVGIQ-GSVOUGTGSA-N	253.136	1.456	5	40	CDBB	
Cc1nnc(NC(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)s1	2790980	RLEBXNQLOLBBDH-ZCFIWIBFSA-N	296.312	1.226	5	40	CDBB	
Cc1ccc/c(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]1	4662698	VYRJFOJDWGZTEW-UHFFFAOYSA-N	293.304	1.521	5	40	CDBB	
Cc1nn(COCC(F)(F)F)c(C)c1[N+](=O)[O-]	35655562	SSZIFSGRWNDWRR-UHFFFAOYSA-N	253.180	1.945	5	40	CDBB	
COC(=O)CN1CCc2ccc([N+](=O)[O-])cc2C1	88607638	JQQYSJJSKFSBDA-UHFFFAOYSA-N	250.254	1.126	5	40	CDBB	
CN(C)C1CCN(c2cc(C=O)ccc2[N+](=O)[O-])CC1	95081153	ITXUBXCCWSHQRD-UHFFFAOYSA-N	277.324	1.938	5	40	CDBB	
C[C@](Cl)([C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96520248	CVQBNIFMONIZQY-NXEZZACHSA-N	293.728	1.628	5	40	CDBB	
O=[N+]([O-])c1ccc(CNCCN2CCOCC2)cc1	16401565	SJSINZCRZJDBOQ-UHFFFAOYSA-N	265.313	1.017	5	40	CDBB	
C[C@@H]1CN(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCO1	11454814	NFLZXZKQKRFYQP-SNVBAGLBSA-N	293.323	1.522	5	40	CDBB	
COC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	551949	YFZZBOUDQHUOON-UHFFFAOYSA-N	262.225	1.021	5	40	CDBB	
O=C(O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	12505758	OYTOPXTXZVALGC-LURJTMIESA-N	268.200	1.171	5	40	CDBB	
Cc1cnc(N(C)C[C@@H](C)c2nnn[nH]2)c([N+](=O)[O-])c1	129840782	AKLLFRSMRAUEGU-MRVPVSSYSA-N	277.288	1.051	5	40	CDBB	
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H]1CO	133341803	NRKZQYYTMIBEMT-VIFPVBQESA-N	284.699	1.845	5	40	CDBB	
C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)Oc1ccccc1	72945919	MHRKJRKDFSWZGJ-SECBINFHSA-N	289.295	1.846	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1-n1cccc1C=O	34657233	CCPYDMPILGFQKQ-UHFFFAOYSA-N	274.232	1.985	5	40	CDBB	
O=[N+]([O-])c1c(N2CCC[C@H](CO)C2)nc2ccccn12	12627822	RJUWSEDWKUINFR-JTQLQIEISA-N	276.296	1.451	5	40	CDBB	
CC[N+](C)(CC)CCOC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	104184228	VAWLLNDWJKBKHF-HPCHECBXSA-N	296.387	1.214	5	40	CDBB	
O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](O)C1	61707438	YJUJDUWSEWOBAI-QMMMGPOBSA-N	287.113	1.928	5	40	CDBB	
CCN(CC)C(=O)CSc1[nH]nc(C)c1[N+](=O)[O-]	20608570	UUBBPYOVHWFWTK-UHFFFAOYSA-N	272.330	1.587	5	40	CDBB	
CCC(=O)N[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	32932492	BZTRJGYBFXTGCL-VIFPVBQESA-N	279.296	1.756	5	40	CDBB	
COc1ccc([C@H]2NC(=O)CS2)cc1[N+](=O)[O-]	39379077	UTJMAVQIIGGKHR-JTQLQIEISA-N	254.267	1.465	5	40	CDBB	
COC(=O)c1conc1[C@H](O)c1ccc([N+](=O)[O-])cc1	504695373	LHIIEOGWOZGKCR-LLVKDONJSA-N	278.220	1.451	5	40	CDBB	
O=C(Oc1ccccc1[N+](=O)[O-])c1ccc(=O)[nH]c1	14240962	UOEQRTHCKVIOLU-UHFFFAOYSA-N	260.205	1.502	5	40	CDBB	
Cc1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)s1	141511	GBDKWTCZGFLYJO-UHFFFAOYSA-N	294.292	1.772	5	40	CDBB	
C[C@H](O)C[C@@H](C)CNC(=O)Cc1ccccc1[N+](=O)[O-]	72293633	LEZAMRKIGMRJBA-MNOVXSKESA-N	280.324	1.661	5	40	CDBB	
CCN(C[C@H](C)C(=O)OC)c1ncc(C)cc1[N+](=O)[O-]	95971891	SRCQHQHSRSOAPV-JTQLQIEISA-N	281.312	1.934	5	40	CDBB	
Cc1cc(N[C@H]2CCCC[C@@H]2C(N)=O)ncc1[N+](=O)[O-]	95972178	OHTCVEKKTGXVSI-UWVGGRQHSA-N	278.312	1.754	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)C(F)F)cc1F	604221650	NHYYGGKRVPDIOE-UHFFFAOYSA-N	255.173	1.730	5	40	CDBB	
O=C(NCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1	6401052	KTBMVUAYZNGODY-UHFFFAOYSA-N	291.307	1.337	5	40	CDBB	
N[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]12	252585234	HEDFEIAKBWDXRK-ZMLRMANQSA-N	275.308	1.404	5	40	CDBB	
O=c1c2ccccc2nnn1Cc1csc([N+](=O)[O-])c1	47171922	CNCWSCQFTHBDOS-UHFFFAOYSA-N	288.288	1.810	5	40	CDBB	
Cc1c(C(=O)OCC(=O)NC2CC2)cccc1[N+](=O)[O-]	3226473	SLCDEWXWFKWWNX-UHFFFAOYSA-N	278.264	1.339	5	40	CDBB	
Cc1nn(C)c(N[C@@H]2c3ccccc3C[C@H]2O)c1[N+](=O)[O-]	80571380	ZAPKQKABKTVMPC-VXGBXAGGSA-N	288.307	1.707	5	40	CDBB	
O=C(c1cc([N+](=O)[O-])ccc1CO)N1CCCCC1	72209228	GOGPVDCHMWHLCN-UHFFFAOYSA-N	264.281	1.713	5	40	CDBB	
Cc1cc(NC[C@@H]2CCCCN2)ncc1[N+](=O)[O-]	92027568	RIHXJXXOZIZICV-JTQLQIEISA-N	250.302	1.852	5	40	CDBB	
CCO[C@H]1OC(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]12	5721794	ZEPOFTXLDBUZGM-CDMKHQONSA-N	292.247	1.233	5	40	CDBB	
O=[N+]([O-])c1cn(Cc2nc(-c3cccs3)no2)cn1	12520620	REUPUEGDKDQHDJ-UHFFFAOYSA-N	277.265	1.951	5	40	CDBB	
COCCN(CCOC)C(=O)c1ccc([N+](=O)[O-])cc1	3212639	YRXNWXWWUQIGPT-UHFFFAOYSA-N	282.296	1.330	5	40	CDBB	
Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1	97162512	RVTXWIUHNBGUMB-UHFFFAOYSA-N	281.659	1.927	5	40	CDBB	
O=[N+]([O-])c1cccc(CN2CCN(c3cnccn3)CC2)c1	27628102	AXTAZWFPFMMHQW-UHFFFAOYSA-N	299.334	1.707	5	40	CDBB	
Cc1cccc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])n1	2765893	RNVBFHXZUNIFID-UHFFFAOYSA-N	275.268	1.592	5	40	CDBB	
CC1(C)CCC[C@@H]1NCCn1cc([N+](=O)[O-])cn1	90539912	GHGBJGYKERBQPM-NSHDSACASA-N	252.318	1.960	5	40	CDBB	
CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	34157343	SPSMLLFJVBIDTK-UHFFFAOYSA-N	261.237	1.957	5	40	CDBB	
CC[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	96518075	SXGFVXLUORWCOJ-NSHDSACASA-N	285.321	1.991	5	40	CDBB	
O=C(O)C[C@@H](n1ccc([N+](=O)[O-])n1)C(F)(F)F	685936533	DQBQJCXICMOCEV-SCSAIBSYSA-N	253.136	1.369	5	40	CDBB	
CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1O	95445029	YFWLORGSAOXBBK-IONNQARKSA-N	270.310	1.499	5	40	CDBB	
Cc1ccc(CN2C[C@H]3CN(C)C[C@@H]3C2)cc1[N+](=O)[O-]	63527662	SYQSMGURBYNROC-ZIAGYGMSSA-N	275.352	1.897	5	40	CDBB	
O=[N+]([O-])c1cc(I)cnc1F	1436093	JOKCVQRMMODCGB-UHFFFAOYSA-N	267.985	1.734	5	40	CDBB	
O=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c2nonc12	34204801	KKWDSQYPOCTRRA-QMMMGPOBSA-N	278.224	1.184	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])cnc1C(=O)OCC	34558793	ISSFGBFTXWFEOJ-UHFFFAOYSA-N	268.225	1.343	5	40	CDBB	
O=[N+]([O-])c1cn(Cc2nc(-c3ccco3)no2)cn1	12822099	WERONXSOTVSHNA-UHFFFAOYSA-N	261.197	1.483	5	40	CDBB	
COCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	36617329	YLGAKBPTPMRARE-UHFFFAOYSA-N	290.279	1.157	5	40	CDBB	
Cn1cc([C@@](C)(O)CNc2cccc(F)c2[N+](=O)[O-])cn1	96421024	KRODSHYXVFLMLA-ZDUSSCGKSA-N	294.286	1.787	5	40	CDBB	
O=C1NC(=O)/C(=C/C=C/c2cccc([N+](=O)[O-])c2)N1	5569003	VGTHHLOWEWIINO-QXYPORFMSA-N	259.221	1.331	5	40	CDBB	
CCOC(=O)c1nc2ccccc2c2nc(=O)c(C)nn12	32830958	NOCQGSSAHBTOAD-UHFFFAOYSA-N	284.275	1.123	5	40	CDBB	
CCc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	197113	KYUMNMIIKBQZFU-UHFFFAOYSA-N	275.268	1.387	5	40	CDBB	
COC(=O)[C@@]1(CC[N+](=O)[O-])N=C(c2ccccc2)O[C@@H]1C	8652766	DPLIQOVGJKEOPV-YGRLFVJLSA-N	292.291	1.431	5	40	CDBB	
O=C(O)[C@@]1(Cc2ccc([N+](=O)[O-])cc2)CCCN1	4241069	LNRKMGJPHYUDQH-LBPRGKRZSA-N	250.254	1.344	5	40	CDBB	
CC(C)n1ncc([N+](=O)[O-])c1-c1n[nH]c(=N)s1	408717661	NAIGTZYZUSYPLG-UHFFFAOYSA-N	254.275	1.303	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc[n+]1[O-]	46085438	ORLBVPFBJJHJED-UHFFFAOYSA-N	259.221	1.481	5	40	CDBB	
O=C(O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@@H]12	12480597	ZCYAUKIMNJXVPW-JQWIXIFHSA-N	278.264	1.057	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)NC1CCCCCC1	48211317	XKDIGGQXFOWPNF-UHFFFAOYSA-N	267.289	1.025	5	40	CDBB	
COc1cc(NC[C@@H](C)N2CCOCC2)cc([N+](=O)[O-])c1	84640116	MKAFJPFQZNDKQD-LLVKDONJSA-N	295.339	1.736	5	40	CDBB	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc[nH]1	7981925	CRINUGJAHJJBEO-UHFFFAOYSA-N	299.242	1.402	5	40	CDBB	
O=C(NC1CCCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O	16494554	SOHCOAJBJLIMMQ-UHFFFAOYSA-N	279.296	1.736	5	40	CDBB	
O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCC1	97081697	FPJCFCSBBHCWAQ-ZDUSSCGKSA-N	289.291	1.710	5	40	CDBB	
O=c1c(Br)n[nH]c2ccc([N+](=O)[O-])cc12	82229757	FZAWVXRCRLFYFJ-UHFFFAOYSA-N	270.042	1.594	5	40	CDBB	
O=[N+]([O-])c1cc(S(=O)(=O)n2cccn2)ccc1Cl	32601871	ACEVIOLKUJITKI-UHFFFAOYSA-N	287.684	1.682	5	40	CDBB	
O=[N+]([O-])c1cccc(CNn2cn[nH]c2=S)c1	7601207	NSMREOBJVZPZSB-UHFFFAOYSA-N	251.271	1.593	5	40	CDBB	
CCOC(=O)c1nocc1C(=O)c1ccc([N+](=O)[O-])cc1	1388184	LVVTZZUEWXLBSX-UHFFFAOYSA-N	290.231	1.991	5	40	CDBB	
CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1	27645463	JAURYWDRDCKXTO-UHFFFAOYSA-N	254.242	1.439	5	40	CDBB	
C[C@H]1CCCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])c1	12648139	FRISGXUENRMEMQ-VHSXEESVSA-N	266.301	1.486	5	40	CDBB	
CC1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1	12772438	AYBZISMVALACMT-UHFFFAOYSA-N	279.296	1.592	5	40	CDBB	
COCCNC(=S)Nc1cccc([N+](=O)[O-])c1	5570020	FIRWROLKQXAVMZ-UHFFFAOYSA-N	255.299	1.528	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(=O)CC1	20559483	KKOHNANSQDTQFY-UHFFFAOYSA-N	298.320	1.257	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2N)C[C@@H](C)O1	52840048	YEVBOFOZTNLCEN-DTORHVGOSA-N	251.286	1.791	5	40	CDBB	
CCn1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	557848	ODAKQUZRUFKOOY-UHFFFAOYSA-N	296.674	1.507	5	40	CDBB	
NC(=O)c1cnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1	24975426	QZXUORMLERXJRE-UHFFFAOYSA-N	292.276	1.403	5	40	CDBB	
O=[N+]([O-])c1cccc(OCCN2CCC[C@H](O)C2)c1	46055621	HNSXDTBGXQJQGO-LBPRGKRZSA-N	266.297	1.430	5	40	CDBB	
Cc1c(C(=O)Nc2ccc[nH]c2=O)cccc1[N+](=O)[O-]	65476490	OJZSHWWJEWLEHH-UHFFFAOYSA-N	273.248	1.844	5	40	CDBB	
Cc1nn([C@@H](C)c2nnc(N)s2)cc1[N+](=O)[O-]	675031045	DNTAKEHYHSXDEI-YFKPBYRVSA-N	254.275	1.143	5	40	CDBB	
CC[C@@H](C(=O)O)n1cc(-n2cc([N+](=O)[O-])cn2)cn1	685936763	WKQODZWMKFHUTM-VIFPVBQESA-N	265.229	1.013	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2OC)n1	5029151	MYASQFNZDKGJRT-UHFFFAOYSA-N	290.283	1.761	5	40	CDBB	
COc1ccc(F)cc1C(=O)Cn1cnc([N+](=O)[O-])c1	29749717	GXOVIFGWSHTQIM-UHFFFAOYSA-N	279.227	1.822	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nccnc1N	32828235	HFXNDOUGHOCLQY-UHFFFAOYSA-N	287.279	1.239	5	40	CDBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnsn1	151274	GZKWPPBVXPZYHY-UHFFFAOYSA-N	268.229	1.838	5	40	CDBB	
CC(C)NC(=S)NNc1ccccc1[N+](=O)[O-]	6049297	GCGOHNOWIRILON-UHFFFAOYSA-N	254.315	1.794	5	40	CDBB	
C[N+]1(CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)CCCCC1	102683983	KACLEKGODJDZPY-MQYQWHSLSA-N	275.372	1.382	5	40	CDBB	
CC1=C([N+](=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C	57531524	KJXCUOVCIPTKJO-JTQLQIEISA-N	292.251	1.799	5	40	CDBB	
CCNC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-]	3300509	DSRSKIYKICMWSA-BQYQJAHWSA-N	278.264	1.287	5	40	CDBB	
Cn1c(=O)/c(=N\O)c2ccccc2c2ccccc21	65743306	QVRCJTODZXUHRW-PEZBUJJGSA-N	252.273	1.982	5	40	CDBB	in-vitro
COC[C@]1(C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	66083800	KIHLUVAXMVQMBF-ZDUSSCGKSA-N	293.279	1.052	5	40	CDBB	
CCc1ccc(N2C(=O)[C@H](C)NC2=S)cc1[N+](=O)[O-]	28961458	ORMGPPFJKZZMSJ-ZETCQYMHSA-N	279.321	1.767	5	40	CDBB	
Nc1nc(SCc2cc(F)ccc2[N+](=O)[O-])n[nH]1	35057847	JDJGFTNTJDSYBP-UHFFFAOYSA-N	269.261	1.727	5	40	CDBB	
CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	37064493	LFACPTKEKICMRO-UHFFFAOYSA-N	264.690	1.546	5	40	CDBB	
O=c1c([N+](=O)[O-])c(O)[nH]c2c(Br)cccc12	71253188	UTUOMEKCHNGHOP-UHFFFAOYSA-N	285.053	1.904	5	40	CDBB	
Cc1nccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1Cl	97238768	KTNQGIVQZUHHOD-UHFFFAOYSA-N	295.686	1.937	5	40	CDBB	
NNc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	143954030	AFOOLDHWUTUIOU-UHFFFAOYSA-N	277.034	1.551	5	40	CDBB	
C[C@H]1C[C@@H](N2Cc3ccc([N+](=O)[O-])cc3C2)C(=O)O1	72763442	VRLQQPIVXDEBRX-QPUJVOFHSA-N	262.265	1.614	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCc2ccccc21	4686633	UKGIARYNPNSOFY-UHFFFAOYSA-N	286.291	1.771	5	40	CDBB	
Cc1cc(N2CCCC2)nc(-n2cc([N+](=O)[O-])cn2)n1	4942015	BIMMVUKTPNAVCF-UHFFFAOYSA-N	274.284	1.479	5	40	CDBB	
CC(C)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1	5713560	MBUKDLRYRKIHDL-UHFFFAOYSA-N	266.253	1.733	5	40	CDBB	
CCC[C@@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])c(C)n1	96487429	FVGDBXMUAHGODH-LLVKDONJSA-N	278.312	1.403	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](CO)C3)cnc2c1	91355825	FZUCTZQAMRKZGV-SNVBAGLBSA-N	288.307	1.747	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)O1	77291028	AJPSSHPPUFPWLN-IUCAKERBSA-N	279.296	1.307	5	40	CDBB	
CC[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	95117440	KCCGKTGEPHZTOY-VIFPVBQESA-N	265.317	1.984	5	40	CDBB	
Cc1occc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	24151834	DSFZZJWZTIDGES-ZDUSSCGKSA-N	290.275	1.960	5	40	CDBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1	35101471	NFOHDTLTSLWZBT-UHFFFAOYSA-N	276.701	1.689	5	40	CDBB	
O=Cc1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1	586700	NITPDHDYNXENCH-UHFFFAOYSA-N	250.239	1.677	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@H]2SCCO	3125928	FLAITYNRCKZPST-SECBINFHSA-N	289.334	1.149	5	40	CDBB	
CCCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	46231085	KPNMAMJCPBXHMC-UHFFFAOYSA-N	273.314	1.454	5	40	CDBB	in-vitro
O=C(O)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1	4499261	ALPZXIQZJZRDFI-UHFFFAOYSA-N	297.223	1.038	5	40	CDBB	
CC1(C)CCC[C@H]1NCCn1cc([N+](=O)[O-])cn1	90539913	GHGBJGYKERBQPM-LLVKDONJSA-N	252.318	1.960	5	40	CDBB	
CCOC(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC	1575680	DDQNCXZIMSLVGW-UHFFFAOYSA-N	282.296	1.724	5	40	CDBB	
O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	45751328	NPBQZHQFUVDKGT-VIFPVBQESA-N	293.279	1.071	5	40	CDBB	
O=C(COC(=O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1	60722667	NZULUYOYZNOGEX-UHFFFAOYSA-N	293.275	1.747	5	40	CDBB	
CC[C@H](NC(=O)[C@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1	84734206	RBXZPATVZOOQDI-NWDGAFQWSA-N	291.307	1.441	5	40	CDBB	
CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)s1	7348127	FWGJCFHBEVCPTF-UHFFFAOYSA-N	268.254	1.854	5	40	CDBB	
COC(=O)[C@H]1CC(=O)N(c2ccc(OC)c([N+](=O)[O-])c2)C1	45952972	UHICSPWAVGYZES-QMMMGPOBSA-N	294.263	1.129	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cnn(C)c1	5888186	USPTUCMZYRLHDP-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(N)=O	93135	XHJGSTYWRKCRFP-UHFFFAOYSA-N	260.633	1.364	5	40	CDBB	
CNCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4091904	WRTABGJDKVVZRN-UHFFFAOYSA-N	254.246	1.524	5	40	CDBB	
COC(=O)CN1C(=O)C(C)(C)c2cc([N+](=O)[O-])ccc21	57332101	VUHQNVSNLCASAH-UHFFFAOYSA-N	278.264	1.392	5	40	CDBB	
CC(C)CNc1nc(N)c([N+](=O)[O-])c(N2CCCC2)n1	5176169	KFZQODSWSSAXAV-UHFFFAOYSA-N	280.332	1.635	5	40	CDBB	
CN1CC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O	97102229	MZHQYSRMPKEKLP-UHFFFAOYSA-N	283.671	1.642	5	40	CDBB	
O=C1C=CC(=O)N1c1ccc([N+](=O)[O-])cc1Cl	5427593	VCXMJLPFTMVFNS-UHFFFAOYSA-N	252.613	1.678	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	15220043	OMOUCINQOUGMPO-USZNOCQGSA-N	286.243	1.038	5	40	CDBB	
O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NC1CCCC1	2623349	WTMIHUQJQJHGEK-UHFFFAOYSA-N	292.291	1.810	5	40	CDBB	
CCC(=O)NCC(=O)OCc1ccc([N+](=O)[O-])cc1	6272964	IJZDALOMIQMROL-UHFFFAOYSA-N	266.253	1.164	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(N2CC(C(=O)O)C2)c([N+](=O)[O-])c1	4054558	VDTWPDYIEBUZAL-UHFFFAOYSA-N	281.224	1.332	5	40	CDBB	
CNc1nc(N2C[C@@H](C)C[C@H](C)C2)nc(N)c1[N+](=O)[O-]	4140223	LFGFGDKYCZDYHJ-YUMQZZPRSA-N	280.332	1.491	5	40	CDBB	
O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@H]2CCCC[C@@H]2C1	95979024	PBFZZZCOSZOJDG-RKDXNWHRSA-N	264.285	1.580	5	40	CDBB	
O=C(NCCCF)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	97081737	IJAIRHOFUDHRHK-GFCCVEGCSA-N	295.270	1.564	5	40	CDBB	
CC(C)N1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1	69848926	RHQXEAFLBZAHHL-ZDUSSCGKSA-N	291.351	1.736	5	40	CDBB	
CNC(=O)COc1ccc([N+](=O)[O-])cc1Br	77939745	BZTLBQLSMLSBSZ-UHFFFAOYSA-N	289.085	1.482	5	40	CDBB	
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n(C)n1	89541111	BDIKTRWZDAPNKX-UHFFFAOYSA-N	276.252	1.595	5	40	CDBB	
O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1C[C@@H]1[N+](=O)[O-]	47250196	XPAAFYVFCBXOLE-ZJUUUORDSA-N	278.264	1.452	5	40	CDBB	
COc1ccc(NC(=O)/C=C/C(=O)O)c([N+](=O)[O-])c1	4006396	ZKDLZLOZDAKBIO-SNAWJCMRSA-N	266.209	1.183	5	40	CDBB	
COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	45953436	UNDFXGKFSFLOFI-MRVPVSSYSA-N	264.237	1.121	5	40	CDBB	
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CCOC1	71799844	DOVKVHUOVYRZPT-NXEZZACHSA-N	276.292	1.909	5	40	CDBB	
CCN(C[C@H]1CCCO1)c1ncccc1[N+](=O)[O-]	67710917	IMSIAKJDEUHISC-SNVBAGLBSA-N	251.286	1.995	5	40	CDBB	
O=C(NC1=NCCS1)c1ccc([N+](=O)[O-])s1	8771785	CDAZLJSNQBSVMZ-UHFFFAOYSA-N	257.296	1.489	5	40	CDBB	
Cc1cccnc1NC(=O)c1cc([N+](=O)[O-])cn1C	9836050	JLIFQQHTKXGNOE-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
CC(=O)c1ccc(N[C@@H]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1	75109727	YCBXZLSWNZLGLN-GHMZBOCLSA-N	291.307	1.863	5	40	CDBB	
CC(=O)c1ccc(N[C@@H]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1	75109724	YCBXZLSWNZLGLN-WDEREUQCSA-N	291.307	1.863	5	40	CDBB	
C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1	11298596	PCTQIHVAJYDYBO-SNVBAGLBSA-N	280.280	1.221	5	40	CDBB	
CC(C)(C)NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	3300452	YHOHQRPDCVGSQA-UHFFFAOYSA-N	270.241	1.259	5	40	CDBB	
O=[N+]([O-])c1cnn(S(=O)(=O)c2ccccc2)c1	344352	QDZOTELENUNRIN-UHFFFAOYSA-N	253.239	1.028	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(CSc3ncn[nH]3)[nH]c2c1	381077	SRIHCVFBTNKLBA-UHFFFAOYSA-N	276.281	1.882	5	40	CDBB	
C[C@H](SCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	6260186	WTMQGCFEZIXYTF-ZETCQYMHSA-N	269.278	1.984	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1Cc1cnn(-c2ccccc2)n1	58179244	KQKLQXYTQOWVAN-UHFFFAOYSA-N	297.274	1.386	5	40	CDBB	
Cc1c(C(=O)NC2=NCCS2)cccc1[N+](=O)[O-]	2638604	RRQLGMUUJUYVRR-UHFFFAOYSA-N	265.294	1.736	5	40	CDBB	
O=C(OCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1	72645092	SQYGLGADHJEPKG-UHFFFAOYSA-N	278.264	1.374	5	40	CDBB	
O=C(O)C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)O	16401833	JNQHDZIVPHGFML-VIFPVBQESA-N	285.277	1.756	5	40	CDBB	
O=C(Nc1nnc([C@H]2CCCO2)o1)c1ccc([N+](=O)[O-])o1	10970587	BGWCCKUMEPVFPM-SSDOTTSWSA-N	294.223	1.675	5	40	CDBB	
COc1c2c(cc3c1[C@H](C[N+](=O)[O-])N(C)CC3)OCO2	20311221	SFTLDAVMHMOGKU-VIFPVBQESA-N	280.280	1.230	5	40	CDBB	biogenic
Cn1cnc([N+](=O)[O-])c1NCc1ccc(-n2cncn2)cc1	103515520	LSTLSGASLLCSLR-UHFFFAOYSA-N	299.294	1.521	5	40	CDBB	
O=C(O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1	12395476	CEDHDTFPMDRBTM-UHFFFAOYSA-N	251.173	1.618	5	40	CDBB	
CCn1cnnc1CCNc1ncc(C)cc1[N+](=O)[O-]	78664843	TVSLJCSQYRXKDT-UHFFFAOYSA-N	276.300	1.564	5	40	CDBB	
Cc1nn(C)c(NCCn2cnnc2C(C)C)c1[N+](=O)[O-]	78968138	VGEVKXNNMPIAMM-UHFFFAOYSA-N	293.331	1.464	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(F)cc2)c1=O	25049724	ZQSZXMNFMSXZLB-UHFFFAOYSA-N	291.238	1.043	5	40	CDBB	
O=C(COc1cccnc1[N+](=O)[O-])NCc1ccco1	12532245	ICHBQYGJOGQKOU-UHFFFAOYSA-N	277.236	1.278	5	40	CDBB	
Cc1[nH]nc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-]	58217759	CIQHCCUPUWAKSM-NXEZZACHSA-N	294.311	1.410	5	40	CDBB	
Cc1ccc(-n2nnnc2Cn2cc([N+](=O)[O-])cn2)cc1	96193756	XFMILHDTWJSIEY-UHFFFAOYSA-N	285.267	1.124	5	40	CDBB	
O=C(NN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1O	89902784	SRYZABNVRCBADI-UHFFFAOYSA-N	299.286	1.961	5	40	CDBB	
O=[N+]([O-])c1ccc(-n2cnnc2)c(Br)c1	70461686	ZIDAMEQPDFVCTJ-UHFFFAOYSA-N	269.058	1.938	5	40	CDBB	
N[C@H](CC(=O)O)c1cc([N+](=O)[O-])ccc1OC(F)F	44215788	RKQLRNNYRJHVIK-SSDOTTSWSA-N	276.195	1.671	5	40	CDBB	
CNC(=O)c1ccc(NC(C)(C)[C@H](C)O)c([N+](=O)[O-])c1	89598315	AWDGOZHDJKAILM-QMMMGPOBSA-N	281.312	1.526	5	40	CDBB	
O=C(O)C1CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1	4243348	BOYIUYTULXNVDA-UHFFFAOYSA-N	286.675	1.339	5	40	CDBB	
CC[C@@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1	24234147	LAOMOPWKBDTFJU-QMMMGPOBSA-N	253.258	1.487	5	40	CDBB	
O=[N+]([O-])c1cc2[nH]nc([N+](=O)[O-])c2cc1[N+](=O)[O-]	28540376	LVXFPAXEXDCLDG-UHFFFAOYSA-N	253.130	1.288	5	40	CDBB	
O=C(NC1CC1)c1ccsc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	69888826	UXVLDPAGMUVDNV-BDAKNGLRSA-N	295.320	1.244	5	40	CDBB	
CN(C)C(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1	9884445	KTSUJQUIQBKZSV-UHFFFAOYSA-N	277.324	1.899	5	40	CDBB	
CC[C@H](C)[C@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	95871176	XFTSPXAOFRRYGT-RCOVLWMOSA-N	298.255	1.809	5	40	CDBB	
CC(=O)O[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	1571159	IZCQFYTXKWWSMP-SCSAIBSYSA-N	250.465	1.565	5	40	CDBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1n[nH]cc1[N+](=O)[O-]	6413906	LCDHAYLGEVSYML-UHFFFAOYSA-N	295.186	1.618	5	40	CDBB	
C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	54375297	IORQFQFFZQLXIQ-MRVPVSSYSA-N	266.257	1.301	5	40	CDBB	
COCCCNC(=O)Nc1ccccc1[N+](=O)[O-]	9256891	UNPMMBAZODFVJS-UHFFFAOYSA-N	253.258	1.753	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1C[C@@H](O)CC(F)(F)F	189425755	MDXDBFGIOGYZJC-LURJTMIESA-N	253.180	1.413	5	40	CDBB	
CC1=NN(c2ccccc2)C(=O)[C@@]12[C@H](C)[C@@H]2[N+](=O)[O-]	5370068	SIWDEOAYYTUWNB-WLTAIBSBSA-N	259.265	1.691	5	40	CDBB	
O=C(N[C@@H]1CCSC1=O)c1ccccc1[N+](=O)[O-]	183087	WGCSFPFAKKJFDT-MRVPVSSYSA-N	266.278	1.357	5	40	CDBB	
Cc1ccc(S(=O)(=O)N2CCCCC2=O)cc1[N+](=O)[O-]	4802603	QMQIHDPCHXEKND-UHFFFAOYSA-N	298.320	1.604	5	40	CDBB	
C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	3238455	BKXIJQBHXIPDSG-KWQFWETISA-N	278.264	1.733	5	40	CDBB	
Cc1c(C(=O)OCC(=O)N2CCCC2)cccc1[N+](=O)[O-]	3238599	VAHIGGMTPXNPDA-UHFFFAOYSA-N	292.291	1.682	5	40	CDBB	
O=C(O)[C@@H]1SCCN1C(=O)c1ccc([N+](=O)[O-])cc1	4673204	KTPRNUKJCZVUHM-JTQLQIEISA-N	282.277	1.195	5	40	CDBB	
NC(=O)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1	95452870	QVOILEMOHDJEDK-UHFFFAOYSA-N	289.291	1.820	5	40	CDBB	
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O	18227584	LGUKSUMQFBALJX-NXEZZACHSA-N	288.259	1.756	5	40	CDBB	
C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)Oc1ccccc1	72945917	MHRKJRKDFSWZGJ-VIFPVBQESA-N	289.295	1.846	5	40	CDBB	
COCCCNc1ccc([N+](=O)[O-])cc1C(=O)O	37328750	OIUGRLCSJRHJOZ-UHFFFAOYSA-N	254.242	1.741	5	40	CDBB	
CCN(Cc1ccoc1)C(=O)c1cc([N+](=O)[O-])cnc1N	97113949	GTDLDPTYRXSHNW-UHFFFAOYSA-N	290.279	1.827	5	40	CDBB	
Cc1cnc(N[C@H]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1	95415015	XOHYTFHTCNVAPY-IUCAKERBSA-N	264.285	1.364	5	40	CDBB	
O=[N+]([O-])c1ccn(C[C@@H](O)COCc2cccs2)n1	152238525	RBHXOPXMJASJMM-SECBINFHSA-N	283.309	1.431	5	40	CDBB	
Cc1ccc(C(=O)O[C@@H]2C[C@H](C)OC2=O)cc1[N+](=O)[O-]	32736472	KNSQMUZAFRETFC-GZMMTYOYSA-N	279.248	1.764	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cccnc1Cl	823955	XJXHXPLYJJJYOJ-UHFFFAOYSA-N	281.659	1.478	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCNCC1	35407455	FDSKYYOWTXTEQC-UHFFFAOYSA-N	264.285	1.468	5	40	CDBB	
Cc1c(C(=O)Nc2ccn(C)n2)cccc1[N+](=O)[O-]	12729850	YFJDSEFVGKTPHX-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
CN(c1ncnc(N)c1[N+](=O)[O-])C1CCCCC1	3912616	SZDOTIOYHFNYFO-UHFFFAOYSA-N	251.290	1.736	5	40	CDBB	
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)N	79420925	ZBYVLZCBKXPXIT-VIFPVBQESA-N	251.286	1.291	5	40	CDBB	
CC(C)n1ccc2nc3ccn(CCO)c(=O)c3cc2c1=O	38829411	HUZZWBLNKOGJRJ-UHFFFAOYSA-N	299.330	1.285	5	40	CDBB	
COCCn1c(S)nc2cc([N+](=O)[O-])ccc21	256053108	QBOCCHNGMKKFFT-UHFFFAOYSA-N	253.283	1.880	5	40	CDBB	
O=[N+]([O-])c1c(N2CCC[C@@H]2CO)nc2ccccn12	78679858	FTCNLBXIABMGCX-SECBINFHSA-N	262.269	1.204	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C	3250860	LQUUSJPIOOSLKP-MRVPVSSYSA-N	267.285	1.492	5	40	CDBB	
C[C@@]12C[C@@H](NC(=S)N1)c1cc([N+](=O)[O-])ccc1O2	67240204	DYVOIXZOHYYHCE-LDYMZIIASA-N	265.294	1.612	5	40	CDBB	
CC(=O)NC[C@H]1CN(c2ccc([N+](=O)[O-])cc2C)CCO1	80643434	NTTIAKOHEJHQPE-ZDUSSCGKSA-N	293.323	1.245	5	40	CDBB	
CNC(=O)c1ccc(N2CCOCC[C@@H]2C)c([N+](=O)[O-])c1	95983986	PLDHCOBJENJPEY-JTQLQIEISA-N	293.323	1.570	5	40	CDBB	
CCOC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1	82046654	YGHQXPZCFIGLNT-UHFFFAOYSA-N	253.210	1.558	5	40	CDBB	
CC[C@H]([C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96519477	WHHKIQMMQAZDGY-GHMZBOCLSA-N	273.310	1.451	5	40	CDBB	
C[C@@H](O)CNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	4179201	GCFLFGGWPVVVQA-LLVKDONJSA-N	294.355	1.139	5	40	CDBB	
O=[N+]([O-])c1ccccc1C[C@H](O)CN1CCCCC1	27987650	QNSORKDXNDKKPV-ZDUSSCGKSA-N	264.325	1.984	5	40	CDBB	
O=C(NCc1noc([C@@H]2C[C@@H]2[N+](=O)[O-])n1)c1ccccc1	75609912	ZIYBZDRTYDHWKV-ZJUUUORDSA-N	288.263	1.132	5	40	CDBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)OCCOC	11288566	RSOVNLRYTHMGST-UHFFFAOYSA-N	254.242	1.440	5	40	CDBB	
CC(C)(C)NC(=O)CN1CCc2cc([N+](=O)[O-])ccc21	9379296	NZJLFCVWIYEJSQ-UHFFFAOYSA-N	277.324	1.872	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C)c1	25306433	DNOYBPRWMDHKTR-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
COC(=O)c1sccc1Cn1nccc1[N+](=O)[O-]	96465946	GOEXDJPOZBDCDU-UHFFFAOYSA-N	267.266	1.688	5	40	CDBB	
CNC(=O)[C@H]1CCC[C@H]1Nc1cccc(OC)c1[N+](=O)[O-]	390835180	FZJNYSUTKLZHIV-VHSXEESVSA-N	293.323	1.930	5	40	CDBB	
CNC(=O)[C@@H]1CCC[C@@H]1Nc1cccc(OC)c1[N+](=O)[O-]	390835181	FZJNYSUTKLZHIV-ZJUUUORDSA-N	293.323	1.930	5	40	CDBB	
NC1(c2ccc(Br)cc2[N+](=O)[O-])COC1	687770089	IXBPBNWWRXZLEQ-UHFFFAOYSA-N	273.086	1.542	5	40	CDBB	
O=[N+]([O-])c1ccc(NC[C@@H]2CCS(=O)(=O)C2)cc1	5034791	FLZOFEYQZIELBV-VIFPVBQESA-N	270.310	1.441	5	40	CDBB	
C=Cn1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	10119604	GTOZXVDYRRHLRQ-UHFFFAOYSA-N	294.658	1.588	5	40	CDBB	
Cc1ccc(C)c(OC[C@@H](O)Cn2cnc([N+](=O)[O-])n2)c1	95438931	ZVENXQHTUBPMKD-NSHDSACASA-N	292.295	1.243	5	40	CDBB	
O=[N+]([O-])c1cn[nH]c1NCCS(=O)(=O)c1ccccc1	95438699	WEBIOMVMFWJPDM-UHFFFAOYSA-N	296.308	1.204	5	40	CDBB	
CCC(=O)/N=c1\[nH]cc(-c2cccc([N+](=O)[O-])c2)n1C	4678343	JGMQMESLWSYXPD-UHFFFAOYSA-N	274.280	1.766	5	40	CDBB	
O=C(COc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCCO1	6601274	JVZWPOIFADMGNZ-SNVBAGLBSA-N	298.270	1.408	5	40	CDBB	
CC(C)(C)C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1	4868521	YCYHSOHJWCMLNC-UHFFFAOYSA-N	280.280	1.949	5	40	CDBB	
CCNC(=O)CN(CC)CCOc1cccc([N+](=O)[O-])c1	40105763	CBKQGMAQGZHLLD-UHFFFAOYSA-N	295.339	1.432	5	40	CDBB	
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC(CO)CC1	225239592	OBCZVORXCSGOEU-UHFFFAOYSA-N	279.300	1.041	5	40	CDBB	
CCOc1ccccc1-c1c([N+](=O)[O-])cnn1CCO	96527492	KJESLKZFCIZIRZ-UHFFFAOYSA-N	277.280	1.849	5	40	CDBB	
O=[N+]([O-])c1cnn(CCO)c1-c1c(F)cccc1F	96527510	MJQJNQWUIIKCGC-UHFFFAOYSA-N	269.207	1.729	5	40	CDBB	
CCOC[C@@H](O)CNc1ccc([N+](=O)[O-])c(C)n1	95414948	MGFBSIYIJQOOSQ-VIFPVBQESA-N	255.274	1.108	5	40	CDBB	
O=C(NCCn1cccc1)c1ccc([N+](=O)[O-])c(O)c1	96449897	CTMQLYVKFUCZTG-UHFFFAOYSA-N	275.264	1.532	5	40	CDBB	
CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1	4716686	UZIJPLRVLJWOGH-UHFFFAOYSA-N	285.325	1.935	5	40	CDBB	
CCOC(=O)c1cc2ccc([N+](=O)[O-])cc2oc1=O	4897880	NFULPBQNQUBWKD-UHFFFAOYSA-N	263.205	1.878	5	40	CDBB	
COC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	68563395	AWCIFPRMQDLFMD-UHFFFAOYSA-N	271.141	1.198	5	40	CDBB	
Cc1nn(C)c(NC[C@@H](c2ccco2)N(C)C)c1[N+](=O)[O-]	72274826	HNZNDCCXAWOGBO-JTQLQIEISA-N	293.327	1.945	5	40	CDBB	
Cc1ccc(C(=O)NCCCN(C)C)cc1[N+](=O)[O-]	5547415	LQPBEKRWEZQESR-UHFFFAOYSA-N	265.313	1.585	5	40	CDBB	
O=C(Nc1nnc([C@@H]2CCCO2)o1)c1ccc([N+](=O)[O-])o1	10970584	BGWCCKUMEPVFPM-ZETCQYMHSA-N	294.223	1.675	5	40	CDBB	
O=c1c2ccccc2nnn1-c1ccc([N+](=O)[O-])cc1	1704505	NRKBYFNSSNFOGE-UHFFFAOYSA-N	268.232	1.689	5	40	CDBB	
O=C(NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3061387	AGCDOLDEZGAGBW-SECBINFHSA-N	295.251	1.412	5	40	CDBB	
O=c1n(Cc2ccc([N+](=O)[O-])cc2)nnn1-c1ccccc1	8940751	LIGUVVRGLCLHBO-UHFFFAOYSA-N	297.274	1.386	5	40	CDBB	
CC1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	6120413	ZOQVOCCHLMDYQM-UHFFFAOYSA-N	279.296	1.015	5	40	CDBB	
CO[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C	71799834	SPNPMGZIRCBOCC-RKDXNWHRSA-N	264.281	1.907	5	40	CDBB	
Nc1cc(Cl)c(C(=O)NC2CC2)cc1[N+](=O)[O-]	199783934	NUCPGTLWNTYVLQ-UHFFFAOYSA-N	255.661	1.723	5	40	CDBB	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	96425359	XVIXDFZUPCBFAR-GYSYKLTISA-N	289.335	1.913	5	40	CDBB	
O=C1NC(S)=N/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2	76571	JGDJMOXCCPDWPN-LZCJLJQNSA-N	293.260	1.080	5	40	CDBB	
C[Sn](C)(C)c1ccc([N+](=O)[O-])cn1	169963009	ORORMMYFKXKTEA-UHFFFAOYSA-N	286.907	1.535	5	40	CDBB	
C[C@H](C(=O)O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	51659021	DNKUVUQDFWCXSU-SNVBAGLBSA-N	279.296	1.190	5	40	CDBB	
O=[N+]([O-])c1c(Br)c[n+]([O-])cc1Br	2559367	MNPIOSXHEAIODW-UHFFFAOYSA-N	297.890	1.753	5	40	CDBB	
O=c1ccc(-c2nnco2)cn1Cc1ccc([N+](=O)[O-])cc1	43241323	UNIQQDVBJHBWLO-UHFFFAOYSA-N	298.258	1.855	5	40	CDBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1	3236433	GXMWBNLKYSZPBZ-NSHDSACASA-N	276.248	1.651	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CC1	24433819	OZBSFHSFPFTCED-UHFFFAOYSA-N	256.283	1.283	5	40	CDBB	
C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[C@@H]2CC[C@@H]1C2	101527662	GRISJYFIOPYNHE-DBIOUOCHSA-N	292.339	1.883	5	40	CDBB	
NC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	11246187	ILOUQSPPYDOXHJ-UHFFFAOYSA-N	299.286	1.727	5	40	CDBB	
Cc1cccc(NCCCn2ccnn2)c1[N+](=O)[O-]	218884799	NKJWYCVJLILLOE-UHFFFAOYSA-N	261.285	1.997	5	40	CDBB	
CNC(=O)C(C)(C)CNc1cc(C)c([N+](=O)[O-])cn1	227594418	YNTLBGLQMUNIEI-UHFFFAOYSA-N	266.301	1.482	5	40	CDBB	
Cc1nn([C@@H](C)C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-]	6399499	RXLIUSMZLKZTSX-NHCYSSNCSA-N	296.327	1.344	5	40	CDBB	
CCN(C[C@H](C)C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	58440886	YEBHWDXWIGHFPV-VIFPVBQESA-N	294.311	1.570	5	40	CDBB	
CC(C)(C)c1nc(Cn2cnc([N+](=O)[O-])n2)cs1	48356272	CLPIFCQJJFQHDV-UHFFFAOYSA-N	267.314	1.989	5	40	CDBB	
O=[N+]([O-])c1ccc(NC[C@@H](O)CO)cc1C(F)(F)F	90281747	LFGNKTICVKQDDH-SSDOTTSWSA-N	280.202	1.379	5	40	CDBB	
Cc1cnc(N2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])c1	91017027	CHHKLUAGZPIFGX-JTQLQIEISA-N	278.312	1.533	5	40	CDBB	
COCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@@H]12	5748890	UYWJKUXCVQQSMS-QNIGDANOSA-N	256.366	1.585	5	40	CDBB	biogenic,in-vitro
CS(=O)(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1	24989836	YNVPROPKNZCUSV-UHFFFAOYSA-N	299.352	1.431	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])cn(CC2CCCCC2)c1=O	78820586	GBYVEVZVNPPTID-UHFFFAOYSA-N	279.296	1.436	5	40	CDBB	
C[N+]12CCCC[C@@H]1[C@H](CN1C(=O)CCCC1=O)CCC2	6519812	PCIBTTYAMSQPQR-BWLUYJDISA-N	279.404	1.935	5	40	CDBB	
O=C(O[C@@H]1CCOC1=O)c1ccc(Cl)c([N+](=O)[O-])c1	3288372	SDYSTELIPNOBNA-SECBINFHSA-N	285.639	1.721	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C(=O)N2CCNC2=O)c1	12734306	QQGVZQJTDVLMOC-VIFPVBQESA-N	293.279	1.222	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nc(C3CCNCC3)n[nH]2)cc1	64875542	QAJDYWLRWOPEMY-UHFFFAOYSA-N	273.296	1.847	5	40	CDBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1	3330824	SZEVESMPDOTHFA-UHFFFAOYSA-N	279.248	1.915	5	40	CDBB	
O=[N+]([O-])c1c(NC[C@@H]2CCOC2)nc2sccn12	37988184	ZMNUCXOTXWDOCZ-ZETCQYMHSA-N	268.298	1.752	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1NCc1nncn1-c1ccccc1	29588944	FYHCOXJZQMQXCZ-UHFFFAOYSA-N	299.294	1.521	5	40	CDBB	
C[S@@](=O)c1nncn1CCOc1ccccc1[N+](=O)[O-]	71804163	OSVJEFCKEQCNFV-FQEVSTJZSA-N	296.308	1.003	5	40	CDBB	
CC(C)CN(CC(N)=O)c1ccccc1[N+](=O)[O-]	95429790	FBFBYIDWQZCVDS-UHFFFAOYSA-N	251.286	1.543	5	40	CDBB	
CCOC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5856011	GLXVIYXAYZPDSM-UHFFFAOYSA-N	254.198	1.609	5	40	CDBB	
C[N+]1([C@@H]2CC[C@H]3CCC[C@@H]2C32OCCO2)CCOCC1	402409	VRVCNBSRFRKSAW-QLFBSQMISA-N	282.404	1.785	5	40	CDBB	
CC(C)[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O	3850886	DSNQKJVYEIFGLO-CYBMUJFWSA-N	279.296	1.225	5	40	CDBB	
CCS(=O)(=O)c1nc2ccc([N+](=O)[O-])cc2s1	4365239	HEWSLJHLRNJJKR-UHFFFAOYSA-N	272.307	1.998	5	40	CDBB	
Cc1ccc(OCC(=O)Nc2cc(C)on2)c([N+](=O)[O-])n1	12532693	BCZQZGZVKHUFDK-UHFFFAOYSA-N	292.251	1.612	5	40	CDBB	
CCNC(=O)NC(=O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1	10797855	VJYJXAMJUMURCT-MRVPVSSYSA-N	281.268	1.208	5	40	CDBB	
O=C(O)c1ccccc1NC(=O)c1[nH]ncc1[N+](=O)[O-]	55202068	TUWHXVSCCFCZRB-UHFFFAOYSA-N	276.208	1.268	5	40	CDBB	
CCOC(=O)[C@H]1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1	98072833	WEOYSEACMSRQOC-MNOVXSKESA-N	282.321	1.862	5	40	CDBB	
Cc1cc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c(=O)[nH]1	4248323	AAYOMBDCHBBPRQ-UHFFFAOYSA-N	268.269	1.933	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2nc3c(n2O)CCc2nonc2-3)c1	494196	MRWQFQFIVYJIQL-UHFFFAOYSA-N	299.246	1.844	5	40	CDBB	
O=C(O)[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1	22163114	VECOVUPMXNDMBT-SNVBAGLBSA-N	264.237	1.284	5	40	CDBB	
COC(=O)/C=C(\Nc1ccc([N+](=O)[O-])cc1)C(=O)OC	101262915	CGQGMMOPLVKRTB-YFHOEESVSA-N	280.236	1.237	5	40	CDBB	
Cc1cc(NC(=O)CCn2ccc([N+](=O)[O-])n2)no1	2779272	IHUPAPUEKQOVLD-UHFFFAOYSA-N	265.229	1.117	5	40	CDBB	
CC(=O)Nc1c([N+](=O)[O-])cc2[nH]c(O)nc2c1[N+](=O)[O-]	13556586	FEIFDAYRICNYMG-UHFFFAOYSA-N	281.184	1.043	5	40	CDBB	
CC(C)(C(=O)O)n1cc([N+](=O)[O-])c(OCC(F)F)n1	408715999	HTMCDEFVJREBAJ-UHFFFAOYSA-N	279.199	1.255	5	40	CDBB	
CC(C)[C@@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)O	39426390	XXXLMCCEDSQNFW-LLVKDONJSA-N	296.279	1.930	5	40	CDBB	
O=[N+]([O-])c1cc(Br)nn1CC(F)F	953061370	CNCXHHRICMWEJX-UHFFFAOYSA-N	256.006	1.819	5	40	CDBB	
O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)F	3157347	CYSVVRCOAJDBDE-UHFFFAOYSA-N	261.140	1.707	5	40	CDBB	
C[C@H]1CC[C@H](C(N)=O)CN1c1ccc([N+](=O)[O-])cn1	40549059	ZLXBGEVVIHWHPB-IUCAKERBSA-N	264.285	1.080	5	40	CDBB	
O=c1nc2ccccn2c2c1c(=O)[nH]c1ccccc12	236518	OMFHEVXCFHHWHR-UHFFFAOYSA-N	263.256	1.689	5	40	CDBB	
CCOC(Cn1nc(C)c([N+](=O)[O-])c1C)OCC	12395681	PVGKIAGWLVUVIO-UHFFFAOYSA-N	257.290	1.807	5	40	CDBB	in-vitro
CC(=O)[C@@H]1C[C@H](CC(=O)N2CC[N+](C)(C)CC2)C1(C)C	3102261	HVPHBXGPVVDZRF-KGLIPLIRSA-N	281.420	1.546	5	40	CDBB	
CCCCn1nnnc1NCc1ccc([N+](=O)[O-])cc1	7262173	CYXWYMUSGRAOSQ-UHFFFAOYSA-N	276.300	1.994	5	40	CDBB	
CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	101570409	UQFOMXLVYAYFLZ-UHFFFAOYSA-N	250.663	1.156	5	40	CDBB	
NC(=O)NCCCCNc1nc2ccccn2c1[N+](=O)[O-]	76017635	HTUUFDPZYSZWOA-UHFFFAOYSA-N	292.299	1.103	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(N3CCC(O)CC3)cnc2c1	91356138	QOJWXFBLYVCFNN-UHFFFAOYSA-N	274.280	1.499	5	40	CDBB	
CC(C)n1cc([N+](=O)[O-])c(NC[C@H]2CCCO2)n1	95098505	IVVMVMTXCVNXST-SECBINFHSA-N	254.290	1.963	5	40	CDBB	
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnccn1	97146221	LMWXFAWCZLRGPF-UHFFFAOYSA-N	272.264	1.956	5	40	CDBB	
COc1ccc(C(=O)Cn2ccc([N+](=O)[O-])n2)cc1	50131378	DAYJLSURLKUINE-UHFFFAOYSA-N	261.237	1.683	5	40	CDBB	
COC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CCO1	93528491	NQGNNVKODYLLRQ-ZDUSSCGKSA-N	280.324	1.750	5	40	CDBB	
CC(=O)c1ccc(-n2cnnc2[S@@](C)=O)c([N+](=O)[O-])c1	71905810	SGEZHDBJPRBINB-FQEVSTJZSA-N	294.292	1.116	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ncccn2n1	69772503	HDHMWYLNVIYYKF-UHFFFAOYSA-N	298.262	1.593	5	40	CDBB	
O=C(NCC1(CO)CC1)c1ccc(F)cc1[N+](=O)[O-]	95966727	HEMAGDUVANFNHK-UHFFFAOYSA-N	268.244	1.236	5	40	CDBB	
COC[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCO1	78342704	UJKJKQSLFDKKLF-JTQLQIEISA-N	270.260	1.586	5	40	CDBB	
O=C(O)CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	19504553	NYZWWCBFNGQBCE-VMPITWQZSA-N	278.264	1.589	5	40	CDBB	
CN(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl	2634690	DCNKGWKXISVXLC-UHFFFAOYSA-N	286.671	1.493	5	40	CDBB	
C[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1	2744077	RFIZTYPSRGJRCI-JTQLQIEISA-N	266.301	1.440	5	40	CDBB	
CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	23421636	CDDSATAFEYARTB-UHFFFAOYSA-N	263.297	1.419	5	40	CDBB	
CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	37023127	QTPMCZYRXYDLMU-UHFFFAOYSA-N	264.690	1.546	5	40	CDBB	
Cn1c(=O)c2c(O)c([N+](=O)[O-])c(=O)oc2c2ccccc21	3958247	ZSTOMXULYGTVTQ-UHFFFAOYSA-N	288.215	1.259	5	40	CDBB	
CCN(C[C@@H]1CCCO1)c1ncccc1[N+](=O)[O-]	67710916	IMSIAKJDEUHISC-JTQLQIEISA-N	251.286	1.995	5	40	CDBB	
O=[N+]([O-])c1ccn(CCN2CCOc3ccccc3C2)n1	89865491	ROFQIFIRAKDRMN-UHFFFAOYSA-N	288.307	1.686	5	40	CDBB	
O=C(CNC(=O)c1ccoc1)Nc1cccc([N+](=O)[O-])c1	31546636	HRJXLTZGIXXVGU-UHFFFAOYSA-N	289.247	1.556	5	40	CDBB	
O=C1[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1CCO	133165199	IMOIZGBKVZWIPE-LLVKDONJSA-N	297.286	1.129	5	40	CDBB	
O=C(O)c1cccn(OCc2ccc([N+](=O)[O-])cc2)c1=O	41670634	KPILTUVGGCGRJO-UHFFFAOYSA-N	290.231	1.084	5	40	CDBB	
O=c1cc(O)c2ccc3ccc(S(=O)(=O)O)cc3c2[nH]1	19117806	JIAKJXAXELPCND-UHFFFAOYSA-N	291.284	1.634	5	40	CDBB	
Nc1ccc(C(=O)NCc2ccco2)cc1[N+](=O)[O-]	4660481	ZEIZDZUMKGUYKJ-UHFFFAOYSA-N	261.237	1.700	5	40	CDBB	
COc1c(O)cc(Br)c(C=O)c1[N+](=O)[O-]	1621358	VWVFLPUKZSZXSM-UHFFFAOYSA-N	276.042	1.884	5	40	CDBB	
O=C(Cn1ccc([N+](=O)[O-])n1)c1cccc([N+](=O)[O-])c1	50131337	UJECYWGPRGJVFU-UHFFFAOYSA-N	276.208	1.582	5	40	CDBB	
Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)no1	2780714	XPVSKECNPWOLMI-UHFFFAOYSA-N	265.229	1.117	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])nn1Cc1ccccc1F	4343020	JQTHDUMZAXFZRD-UHFFFAOYSA-N	265.200	1.677	5	40	CDBB	
CNC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1	69563722	WSJNCZNCNFXSMK-UHFFFAOYSA-N	260.253	1.204	5	40	CDBB	
C[C@@H](Sc1ncn[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1	9953005	NUZQPXDSQHYPCK-SSDOTTSWSA-N	293.308	1.832	5	40	CDBB	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	37393926	NLQWQOYOINBACJ-VIFPVBQESA-N	299.352	1.740	5	40	CDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	2771759	ARNQGGVJMQDMBG-LDYMZIIASA-N	299.670	1.845	5	40	CDBB	
CN1CCN(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	369132	BKFPAKCMQFTXDC-UHFFFAOYSA-N	298.730	1.140	5	40	CDBB	
CN(C)c1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1	71285410	QWBXRGVOEVDECT-UHFFFAOYSA-N	274.284	1.777	5	40	CDBB	
C[C@H](CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	2046574	WQIRLCXVDGJNTO-SSDOTTSWSA-N	273.266	1.232	5	40	CDBB	
Cc1cc(NC(=O)[C@H](C)Cn2nc([N+](=O)[O-])cc2C)no1	2790925	DNNZBCJIYCHKMM-SSDOTTSWSA-N	293.283	1.671	5	40	CDBB	
Cc1n[nH]cc1CNc1nc2sccn2c1[N+](=O)[O-]	38011885	IOTXQSAFAZQMEU-UHFFFAOYSA-N	278.297	1.948	5	40	CDBB	
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])o1	4151089	NRCXOZCUBHZNJE-UHFFFAOYSA-N	284.209	1.805	5	40	CDBB	
COC(=O)[C@@]12C[C@H]3C[C@@H](C1)C([N+](=O)[O-])([N+](=O)[O-])[C@H](C3)C2	217418205	YDTIVVNGPGKAFR-WJILXUHTSA-N	284.268	1.235	5	40	CDBB	
O=[N+]([O-])c1ccc(OCC[C@@H]2CCCNC2)nc1	42774145	NNVRDYLKMBJQFN-JTQLQIEISA-N	251.286	1.758	5	40	CDBB	
CCS(=O)(=O)[C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1	96510158	YSZZAYWGIOQMDC-GHMZBOCLSA-N	255.295	1.885	5	40	CDBB	
CC[C@@H]1C(=O)NCCN1c1cc(C)c([N+](=O)[O-])cn1	95411567	JDNWUFWZHDCFEC-SECBINFHSA-N	264.285	1.013	5	40	CDBB	
C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc([N+](=O)[O-])cn1	40549061	ZLXBGEVVIHWHPB-RKDXNWHRSA-N	264.285	1.080	5	40	CDBB	
Cc1cs/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]1	4951248	QTJPTPSARYIGEG-UHFFFAOYSA-N	299.333	1.582	5	40	CDBB	
CCCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2)no1	6139036	DPRHJTZGCDZERS-UHFFFAOYSA-N	290.279	1.860	5	40	CDBB	
C[C@H]1C[C@H]1C(=O)NC[C@H](O)COc1ccc([N+](=O)[O-])cc1	58162311	ILAHTDREINJOAK-XHVZSJERSA-N	294.307	1.107	5	40	CDBB	
Cc1nnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1N	24762207	NPNVIVYNPFKFQL-UHFFFAOYSA-N	296.268	1.268	5	40	CDBB	
O=C1NC(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])N1	409044275	VDTRSYDQSJQVJC-USXIXMCRSA-N	259.221	1.331	5	40	CDBB	
C[C@H]([C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96519335	JUBSMPOSEQSDNJ-GMSGAONNSA-N	259.283	1.061	5	40	CDBB	
O=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2O)S1	3029911	XGYPLQYDIPBIBU-QPJJXVBHSA-N	266.234	1.624	5	40	CDBB	
CN(C)c1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)ccn1	40512668	MOHXLDLLUVMZLO-UHFFFAOYSA-N	290.279	1.579	5	40	CDBB	
NC(=O)SCC(=O)Nc1cccc([N+](=O)[O-])c1	1729542	AVBMWVLSJFTFPA-UHFFFAOYSA-N	255.255	1.345	5	40	CDBB	
O=C(O)c1cc(Br)c([N+](=O)[O-])cc1[N+](=O)[O-]	2147511	XQXYHTAMADVPIY-UHFFFAOYSA-N	291.013	1.964	5	40	CDBB	
CCOC(=O)c1nc(Cn2nccc2[N+](=O)[O-])cs1	89984927	VYKFDXONZWTFGU-UHFFFAOYSA-N	282.281	1.473	5	40	CDBB	
CC(C)OCCCNCc1cc([N+](=O)[O-])nn1C	408716915	SPSGJVTZSAAKFZ-UHFFFAOYSA-N	256.306	1.233	5	40	CDBB	
O=[N+]([O-])c1ccc(Cn2cnc([N+](=O)[O-])n2)c([N+](=O)[O-])c1	97965967	OIEXZEDQGSHWQW-UHFFFAOYSA-N	294.183	1.051	5	40	CDBB	
Cc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)no1	97373308	RACROIDKHBDXGW-UHFFFAOYSA-N	291.263	1.869	5	40	CDBB	
O=[N+]([O-])c1c(N2CC(O)(C3CC3)C2)nc2sccn12	89667319	SIPIKPPDDHCENO-UHFFFAOYSA-N	280.309	1.265	5	40	CDBB	
CCc1nc(N)nc(N)c1-c1ccc(NC)c([N+](=O)[O-])c1	5479493	UEBWOKUSTFIFOC-UHFFFAOYSA-N	288.311	1.820	5	40	CDBB	
O=[N+]([O-])c1cnc2nnc([C@H]3COc4ccccc4O3)n2c1	41154227	BXWJSTRMYRHWPR-LLVKDONJSA-N	299.246	1.545	5	40	CDBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)NCc1ccco1	2805181	KBAWCZMIVFOVLR-UHFFFAOYSA-N	278.268	1.399	5	40	CDBB	
O=C(O)CCn1cnc(-c2ccc([N+](=O)[O-])cc2)c1	346194	OLKMAXDLEOHMKV-UHFFFAOYSA-N	261.237	1.933	5	40	CDBB	
O=[N+]([O-])c1ncccc1OCc1nnnn1-c1ccccc1	12634384	JNVUGFHZQMAHCG-UHFFFAOYSA-N	298.262	1.545	5	40	CDBB	
Cc1nn(C)c(C(=O)NC2CCCC2)c1[N+](=O)[O-]	2767701	RVTSRZQTXCFCLN-UHFFFAOYSA-N	252.274	1.309	5	40	CDBB	
Cn1ccnc1CN(c1ccc([N+](=O)[O-])cn1)C1CC1	48893725	JVUIFVQBKOQEDA-UHFFFAOYSA-N	273.296	1.892	5	40	CDBB	
CCC[C@H](C)NC(=O)COc1ccc(C)nc1[N+](=O)[O-]	6609237	ZFJJDZMKVRTYDO-VIFPVBQESA-N	281.312	1.982	5	40	CDBB	
O=C(O)c1cccc([N+](=O)[O-])c1N1CCC[C@H](O)C1	14988052	BWCOOSUVLBNQHD-QMMMGPOBSA-N	266.253	1.254	5	40	CDBB	
O=[N+]([O-])c1cnn(CCc2nc(-c3ccccn3)no2)c1	72274897	KQFAOXYSAATZOC-UHFFFAOYSA-N	286.251	1.479	5	40	CDBB	
O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2nc[nH]n2)C1	96452911	MYMPQRFHXIVUJY-SECBINFHSA-N	274.284	1.492	5	40	CDBB	
CCCn1cc([N+](=O)[O-])cc(Br)c1=O	96474422	OGAHIEXLEBRLDK-UHFFFAOYSA-N	261.075	1.929	5	40	CDBB	
O=C(NCCc1ccccn1)c1ccccc1[N+](=O)[O-]	32657031	VMFWGKGLKSWKBI-UHFFFAOYSA-N	271.276	1.962	5	40	CDBB	
Nc1nc(NCCc2ccccc2F)ncc1[N+](=O)[O-]	32826133	ONDOXPABHYENCR-UHFFFAOYSA-N	277.259	1.761	5	40	CDBB	
O=C(O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1	3875913	MYMZLBHZVRWYRE-UHFFFAOYSA-N	253.214	1.191	5	40	CDBB	
CCCn1nnnc1NCc1cccc([N+](=O)[O-])c1	7263451	GMRJLLGFQJMLFK-UHFFFAOYSA-N	262.273	1.603	5	40	CDBB	
Cc1cc(Nc2ncc(C)c(=O)n2N)cc([N+](=O)[O-])c1C	408979549	MSPBVILWHGZQKH-UHFFFAOYSA-N	289.295	1.534	5	40	CDBB	
CCOC(=O)c1cc(C(=O)N(C)C)cc([N+](=O)[O-])c1	68899344	GGQZODVBLHFMKW-UHFFFAOYSA-N	266.253	1.473	5	40	CDBB	
O=C(NCc1ccc(-c2ccn[nH]2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-]	84402992	WNSHMXRUSXDLTK-DGCLKSJQSA-N	286.291	1.358	5	40	CDBB	
O=C1C[C@H](C(=O)O)[C@H](c2ccccc2[N+](=O)[O-])O1	85394871	PNYFBUUZSWWNOO-XVKPBYJWSA-N	251.194	1.284	5	40	CDBB	
O=C(O)c1ccc2nc3ccc(F)cc3c(=O)n2c1	96515988	FCOLLLGCANSCSA-UHFFFAOYSA-N	258.208	1.685	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(CCCO)CC2)cc1	24777606	XNDUOPXMERMAPQ-UHFFFAOYSA-N	265.313	1.099	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=S)Nn1cnnc1	6569077	DNJVGCMDWWYRKE-UHFFFAOYSA-N	294.296	1.135	5	40	CDBB	
COc1ccc([C@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1	370148	CWVUNEIBYOPJHQ-SNVBAGLBSA-N	263.253	1.557	5	40	CDBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	44359357	DTXBDFLFWSFQOT-ZHAHWJHGSA-N	293.279	1.779	5	40	CDBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCCO	58584440	UTPJQERUNCWDFB-UHFFFAOYSA-N	297.310	1.690	5	40	CDBB	
Cc1nc(O)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2n1	4344204	PVJGXZNOFSWWSS-UHFFFAOYSA-N	250.170	1.460	5	40	CDBB	
Nc1nc(N2CCCC2)nc(N2CCCC2)c1[N+](=O)[O-]	5029891	RMZJBDKZMPUYDP-UHFFFAOYSA-N	278.316	1.167	5	40	CDBB	
O=C(O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1	319239	MJVMTUTYGGOSJK-UHFFFAOYSA-N	281.249	1.822	5	40	CDBB	
O=[N+]([O-])c1cccc(OCCSc2ncn[nH]2)c1	42128337	FRTVUALMUSELFR-UHFFFAOYSA-N	266.282	1.884	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(=O)N2CCc3ccccc32)nn1C	2766024	WLFNAXWYTVWCJL-UHFFFAOYSA-N	286.291	1.840	5	40	CDBB	
CC[C@H](C)[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])C(N)=O	95975044	UZQWJUTWMCTEAT-WCBMZHEXSA-N	266.301	1.610	5	40	CDBB	
CC(C)(CO)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1	72289208	JVQQAPNZSQWMCX-UHFFFAOYSA-N	297.330	1.627	5	40	CDBB	
O=[N+]([O-])c1ccc(NC[C@@H]2CCCO2)c2nonc12	33012180	WWSIVORJHWMSIF-ZETCQYMHSA-N	264.241	1.722	5	40	CDBB	
O=C(O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2	100769794	CIKGWLMBQJIERA-FGRABYKZSA-N	292.295	1.566	5	40	CDBB	
CCC(=O)NCC(=O)OCc1cccc([N+](=O)[O-])c1	6309164	XZPAEGKJLAUJBW-UHFFFAOYSA-N	266.253	1.164	5	40	CDBB	
O=c1ccccn1CCNc1nc2ccccn2c1[N+](=O)[O-]	95959057	GNSOGXKPTGWACP-UHFFFAOYSA-N	299.290	1.516	5	40	CDBB	
CCc1n[nH]c(Sc2ccc([N+](=O)[O-])cn2)n1	22530309	VGRCFLUKIBBVGN-UHFFFAOYSA-N	251.271	1.822	5	40	CDBB	
Cc1noc([C@@H](C)SCCn2cc([N+](=O)[O-])cn2)n1	95430824	PAYRYBTZUDUBTN-SSDOTTSWSA-N	283.313	1.977	5	40	CDBB	
COC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-]	4783487	VJIWEFKYYPOAKH-UHFFFAOYSA-N	284.268	1.511	5	40	CDBB	
COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2)N=N1	4142522	SGEOZVGQACJWTP-SECBINFHSA-N	250.214	1.324	5	40	CDBB	
O=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1	13549424	DWADLBIRAWMTCN-YVMONPNESA-N	250.235	1.919	5	40	CDBB	
CCc1nc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)no1	69586115	RWDFGIUHLJYOQA-UHFFFAOYSA-N	290.235	1.496	5	40	CDBB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C\C(=O)O	17156613	NFRQBXNHBOPENN-ARJAWSKDSA-N	253.210	1.710	5	40	CDBB	
C[C@H](Sc1ncn[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	11340795	JWSDEZYKJVYBIU-ZETCQYMHSA-N	293.308	1.832	5	40	CDBB	
CCC(=O)Nc1cc(NN)c([N+](=O)[O-])cc1Cl	62716732	UQOYMHOJHWCIGV-UHFFFAOYSA-N	258.665	1.882	5	40	CDBB	
Cn1sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c1=O	3665307	LXOKYXJSSCVEGC-UHFFFAOYSA-N	255.211	1.416	5	40	CDBB	
COc1cc(C(=O)N(C)C)c([N+](=O)[O-])cc1OC	4195991	UISDPGXDMJXTJT-UHFFFAOYSA-N	254.242	1.314	5	40	CDBB	
O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]cc1[N+](=O)[O-]	6414096	YKFSJORXPNNRDI-UHFFFAOYSA-N	290.235	1.341	5	40	CDBB	
O=C(NC1CC1)c1ccsc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	69888827	UXVLDPAGMUVDNV-IUCAKERBSA-N	295.320	1.244	5	40	CDBB	
CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1	38264410	ZGLMLRQJNKLJDG-UHFFFAOYSA-N	251.286	1.847	5	40	CDBB	
COc1ccc(N2C(=O)CN(C)C2=S)c([N+](=O)[O-])c1	95218155	DPJWRNCUOVWHNW-UHFFFAOYSA-N	281.293	1.167	5	40	CDBB	
C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])[C@H]1C	253369911	JSOJFPRXULAQEF-IUCAKERBSA-N	299.352	1.477	5	40	CDBB	
Cc1cnc(N[C@H]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1	95415017	XOHYTFHTCNVAPY-BDAKNGLRSA-N	264.285	1.364	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCOCC2)c2cccnc12	4954506	XUTGXDZAOLBEAE-UHFFFAOYSA-N	259.265	1.980	5	40	CDBB	
COc1c(OC(C)=O)c(Cl)cc(C=O)c1[N+](=O)[O-]	1621453	XILJIFFGRIBGGN-UHFFFAOYSA-N	273.628	1.995	5	40	CDBB	
Cc1ccnc(N[C@@H]2CCCN(C(N)=O)C2)c1[N+](=O)[O-]	96011318	NEOUVIGRIZAHKH-SECBINFHSA-N	279.300	1.253	5	40	CDBB	
O=C1NCC[C@@H]1Sc1ccc([N+](=O)[O-])cc1F	193513082	YWJYLKPVBNBPOD-VIFPVBQESA-N	256.258	1.715	5	40	CDBB	
Cc1ccc(OC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F	193438654	UBXMJIXJJBNEHW-LLVKDONJSA-N	295.270	1.679	5	40	CDBB	
Cc1cc(N2C[C@@H](CO)OC[C@@H]2C)ccc1[N+](=O)[O-]	95419003	OPTFNILFDLBIRT-JQWIXIFHSA-N	266.297	1.489	5	40	CDBB	
Nc1c(C(=O)NCCC(F)(F)F)cccc1[N+](=O)[O-]	96454410	TXXPULQVEBUAHJ-UHFFFAOYSA-N	277.202	1.859	5	40	CDBB	
CON(C)C(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2	23200111	RVDCLXUSVCKKHE-ONEGZZNKSA-N	294.263	1.494	5	40	CDBB	
CC(C)(C)NCC(=O)Nc1ccccc1[N+](=O)[O-]	24165409	OJPNWKGJZCNFHG-UHFFFAOYSA-N	251.286	1.921	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])Cn1ncn(C)c1=S	36395532	ZREVKZHCUAAZQQ-UHFFFAOYSA-N	293.352	1.949	5	40	CDBB	
Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)N1CCCCC1	4311637	GGNXKKOXNLHGAH-UHFFFAOYSA-N	297.271	1.020	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1Cc1nc2ccccc2c(=O)[nH]1	5813446	KMLUEKKVLQVCJU-UHFFFAOYSA-N	285.263	1.385	5	40	CDBB	
O=C1CCN[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1	408736610	DTVSSCUCPOYYDW-SNVBAGLBSA-N	255.661	1.356	5	40	CDBB	
O=C1c2ccccc2C(=O)N1CCn1cc([N+](=O)[O-])cn1	67799342	OFFNOFLQWGQMCK-UHFFFAOYSA-N	286.247	1.088	5	40	CDBB	
C[C@H](CO)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1	78495636	ZPSBDDIVTDAKQM-SNVBAGLBSA-N	283.303	1.237	5	40	CDBB	
CC[N+](C)(CC)CCn1ncc2ccccc2c1=O	5469385	ZKNUPLRDGCECNS-UHFFFAOYSA-N	260.361	1.883	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCCc1nnc2ccccn12	18062240	ZSTWUCGOUHYPKY-UHFFFAOYSA-N	284.279	1.687	5	40	CDBB	
COc1ccc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1OC	94879	QQQDHBUWOFWZEF-TVQRCGJNSA-N	280.280	1.300	5	40	CDBB	
CO[C@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-]	48287283	TYVRYWLTEDQCMW-SECBINFHSA-N	267.285	1.158	5	40	CDBB	
CCc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2CC)[nH]n1	97375352	HRKPUUMRXOCZIU-UHFFFAOYSA-N	292.299	1.657	5	40	CDBB	
O=C(COC(=O)C1CCC1)Nc1cccc([N+](=O)[O-])c1	3315613	SKDLWSOIMMAZSH-UHFFFAOYSA-N	278.264	1.877	5	40	CDBB	
CN(C)C(=O)COc1cc(N(C)C)ccc1[N+](=O)[O-]	83854243	VYUPRYITRAMRAI-UHFFFAOYSA-N	267.285	1.128	5	40	CDBB	
COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	35959496	NZJVIRUAXSHQEJ-SECBINFHSA-N	278.264	1.429	5	40	CDBB	
CN1CCN(CC(=O)c2cccc([N+](=O)[O-])c2)CC1	34981384	POBWWLBJTMINLC-UHFFFAOYSA-N	263.297	1.025	5	40	CDBB	
O=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)S1	3109953	FORJIIJGVQHUQA-XBXARRHUSA-N	266.234	1.624	5	40	CDBB	
Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])o1)CCC2	23135654	BIQNHSYYNPTOBL-UHFFFAOYSA-N	276.252	1.662	5	40	CDBB	
O=C1C[C@H](C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)O1	1747141	QPJTYBKOUUEXKK-WPRPVWTQSA-N	251.194	1.284	5	40	CDBB	
COC(=O)/C=C/c1ccc(NCC(C)(C)O)c([N+](=O)[O-])c1	65552068	SZIABPYAORTTAA-FNORWQNLSA-N	294.307	1.964	5	40	CDBB	
O=C(O)CCn1nc([N+](=O)[O-])cc1C(F)(F)F	35655544	USXGUIVLOJUJCV-UHFFFAOYSA-N	253.136	1.285	5	40	CDBB	
CNC(=O)[C@H]1CCC[C@@H]1Nc1cccc(OC)c1[N+](=O)[O-]	390835179	FZJNYSUTKLZHIV-UWVGGRQHSA-N	293.323	1.930	5	40	CDBB	
O=[N+]([O-])c1ccc(SC2=NCCN2)c([N+](=O)[O-])c1	16385873	HAZFOTNAVVBQDB-UHFFFAOYSA-N	268.254	1.554	5	40	CDBB	
O=c1c([N+](=O)[O-])c(NCC2CC2)nc2ccccn12	24203122	WXKNBHVGLDDQGK-UHFFFAOYSA-N	260.253	1.425	5	40	CDBB	
Nc1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	4059574	ONLYWYZZIVRFEM-UHFFFAOYSA-N	276.212	1.619	5	40	CDBB	
COC(=O)c1ccc(N2CCSCC2)c([N+](=O)[O-])c1	4053222	VAXAUMWDQTZGDP-UHFFFAOYSA-N	282.321	1.935	5	40	CDBB	
CC1=C([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N(C)C(=O)N1C	5416140	ATPWSBIKKXIXDH-GFCCVEGCSA-N	277.280	1.939	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C(=O)OCCn2cncn2)c1	76885403	CHVRJVSOCKJPNM-UHFFFAOYSA-N	276.252	1.352	5	40	CDBB	
Cc1nn(C)c([N+](=O)[O-])c1I	95836838	OMMJQSPZRMWAEP-UHFFFAOYSA-N	267.026	1.241	5	40	CDBB	
C[N@+]12CCCC[C@H]1[C@@H](COC(=O)C1CCNCC1)CCC2	254291989	CUEHRXOORKFAMS-JTDSTZFVSA-N	295.447	1.938	5	40	CDBB	
Cn1ccnc1CCNC(=O)c1cc([N+](=O)[O-])ccc1O	97052537	YLMZPJDUEZPJRU-UHFFFAOYSA-N	290.279	1.006	5	40	CDBB	
CCc1c(O)nc(-c2cccc([N+](=O)[O-])c2)oc1=O	16161171	LPJYXVIAYFRRQL-UHFFFAOYSA-N	262.221	1.878	5	40	CDBB	
CCCc1cc(O)nc(Sc2c([N+](=O)[O-])ncn2C)n1	17125696	SXHZTDAQNOZYMF-UHFFFAOYSA-N	295.324	1.928	5	40	CDBB	
C[C@@H]1C[C@@H](C)CN(c2nc(N)ncc2[N+](=O)[O-])C1	5445322	DEIWIATZQFDXKZ-HTQZYQBOSA-N	251.290	1.449	5	40	CDBB	
CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	12557550	WPRNWHLWGPQXIJ-UHFFFAOYSA-N	272.308	1.895	5	40	CDBB	
CCCC(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1	9140597	GADYCTXABDTACE-UHFFFAOYSA-N	282.325	1.713	5	40	CDBB	
O=C(c1ccncc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	188567568	NWYSDQQGLQEHQO-UHFFFAOYSA-N	299.286	1.893	5	40	CDBB	
O=C(NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2053409	QAEHFUQRAUYYJY-NSHDSACASA-N	295.251	1.412	5	40	CDBB	
CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)N	79420923	RCFZGVUKHADZOL-VIFPVBQESA-N	251.286	1.291	5	40	CDBB	
O=[N+]([O-])[C@H]1C2(O)C[C@@H]3C[C@H](C2)CC1(Br)C3	238639211	QNDSETZPPRFNAG-OUAXAUOXSA-N	276.130	1.720	5	40	CDBB	
CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	77235858	ZLTAVUQCVJRQKB-ONGXEEELSA-N	299.352	1.758	5	40	CDBB	
CS(=O)(=O)c1ccc(N2CCC2)c([N+](=O)[O-])c1	12644083	DPUCEFFQSMMGAI-UHFFFAOYSA-N	256.283	1.208	5	40	CDBB	
COCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1	2965632	KERBAXNKOWYIJK-UHFFFAOYSA-N	297.314	1.224	5	40	CDBB	
O=[N+]([O-])c1cnc(NCCOC2CCCC2)nc1	108943179	YMXWFOAPNNSARQ-UHFFFAOYSA-N	252.274	1.756	5	40	CDBB	
CC(C)NC(=O)COc1cc(F)ccc1[N+](=O)[O-]	3572622	RQZKRORRUSCEEY-UHFFFAOYSA-N	256.233	1.637	5	40	CDBB	
Cc1c[nH]/c(=N/C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]1	95429573	XFBJZSQVSUAICP-UHFFFAOYSA-N	260.253	1.229	5	40	CDBB	
CNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1	66747975	DQUGARHGKIJENV-UHFFFAOYSA-N	260.253	1.199	5	40	CDBB	
O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)NC1CC1	69629575	POZFVGQFFOHXNH-UHFFFAOYSA-N	286.291	1.737	5	40	CDBB	
O=C(Nc1cnns1)c1ccc([N+](=O)[O-])s1	189564499	MKJDECLONDHXRU-UHFFFAOYSA-N	256.268	1.760	5	40	CDBB	
O=C1Nc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H]12	98063876	HHKBSIGLNSVUGZ-SNVBAGLBSA-N	261.237	1.152	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(N2CCC(NCCO)CC2)c1	92689475	MZPNDHVJBYBMMQ-UHFFFAOYSA-N	279.340	1.454	5	40	CDBB	
CCCc1nn(CC)c(C(=O)OCC)c1[N+](=O)[O-]	14985165	ZDCCMRNZQBKSHU-UHFFFAOYSA-N	255.274	1.940	5	40	CDBB	
COCCNc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	9192168	RSIJCLJMLNKWCA-UHFFFAOYSA-N	280.328	1.063	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(F)cc1	4784892	PUPFUKLGMCBRNY-UHFFFAOYSA-N	264.216	1.720	5	40	CDBB	
CCOCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21	97002280	PRLLYQVVKLJODY-UHFFFAOYSA-N	264.281	1.911	5	40	CDBB	
CCOC(=O)C[C@H](C)CNc1c([N+](=O)[O-])c(C)nn1C	89650165	FJQFOOCPSLBUAG-QMMMGPOBSA-N	284.316	1.638	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(Oc2ccc(CC(=O)O)cc2)n1	95098559	KTYZYTRIXZULGB-UHFFFAOYSA-N	277.236	1.748	5	40	CDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)O1	77291030	AJPSSHPPUFPWLN-RKDXNWHRSA-N	279.296	1.307	5	40	CDBB	
CC(C)NC(=O)COc1cc(C(=O)O)ccc1[N+](=O)[O-]	13034358	VTNUYBOUAVPMEZ-UHFFFAOYSA-N	282.252	1.196	5	40	CDBB	
O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(F)cc2)cn1	36393933	HMYNAWPAPPICNW-SNVBAGLBSA-N	251.217	1.664	5	40	CDBB	
COC(=O)CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1	40040497	CFINCCVXWQFPCQ-UHFFFAOYSA-N	296.279	1.326	5	40	CDBB	
O=[N+]([O-])c1ccccc1OCCNC[C@@H]1CCCO1	3247120	FDTQNSRSJOEOLG-NSHDSACASA-N	266.297	1.742	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nnc(NC3=NCCN3)s2)cc1	68604379	JADSJVREPWVUDO-UHFFFAOYSA-N	290.308	1.484	5	40	CDBB	
Cc1cc(N2CCCN(C(N)=O)CC2)ccc1[N+](=O)[O-]	72285228	RUHMDZFNJKUFTQ-UHFFFAOYSA-N	278.312	1.494	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CCOC2)c1	96442020	CANHQSZKOOJWAY-SECBINFHSA-N	251.238	1.849	5	40	CDBB	
C[C@H]1CCC[C@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1	2779659	LXMJIQFQKFIKHS-QWRGUYRKSA-N	280.328	1.971	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccon2)c(F)c1	97081303	SOOJQPXAWJGAAM-UHFFFAOYSA-N	287.228	1.523	5	40	CDBB	
O=C1CCC(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	89762103	LQMFENNMSDLEAG-UHFFFAOYSA-N	292.247	1.110	5	40	CDBB	
Cc1c(C)c(S(=O)(=O)O)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	5536010	PJKHJXWDBWTDRN-UHFFFAOYSA-N	290.253	1.675	5	40	CDBB	
Cc1ccc(-c2cc(N)c3nnc(C)n3n2)cc1[N+](=O)[O-]	328578734	UNNWPWZTRKQJAD-UHFFFAOYSA-N	284.279	1.899	5	40	CDBB	
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	4134896	KQEVIRDFQKXDCH-KGOITJQVSA-N	284.271	1.906	5	40	CDBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1	45478908	OXTXVBKVTZTWQW-NSHDSACASA-N	250.254	1.154	5	40	CDBB	
O=C1[C@H]2CCCN2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	4788310	ICCAFCAQXZNLJD-LLVKDONJSA-N	275.264	1.521	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)C[S@@](C)=O	97109025	CANAEKQBHZOZJR-SBKAZYGRSA-N	298.364	1.742	5	40	CDBB	
CN(c1ccc([N+](=O)[O-])cn1)C1CCS(=O)CC1	75092266	HKQWMBUGTJABPK-UHFFFAOYSA-N	269.326	1.337	5	40	CDBB	
CCn1cnnc1CCNc1ncc([N+](=O)[O-])cc1Cl	78267389	KMANETKGMNJXTN-UHFFFAOYSA-N	296.718	1.909	5	40	CDBB	
CCS(=O)(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	96510169	VGKMGOIJEMBPNT-QWRGUYRKSA-N	255.295	1.885	5	40	CDBB	
O=C(NCc1cscn1)c1cc([N+](=O)[O-])ccc1O	97235706	SYFFVSFGDKSCAZ-UHFFFAOYSA-N	279.277	1.687	5	40	CDBB	
O=[N+]([O-])c1ncn(-c2ncnc3c2oc2ccccc23)n1	78990245	CLRCCIRZGUQQMY-UHFFFAOYSA-N	282.219	1.865	5	40	CDBB	
Cc1cc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	4305256	CRZPGOOEAUJAJJ-UHFFFAOYSA-N	267.241	1.648	5	40	CDBB	
CCC(CC)C(=O)Oc1cc(C)[nH]c(=O)c1[N+](=O)[O-]	4248324	NOCVRVSHTPWDRW-UHFFFAOYSA-N	268.269	1.933	5	40	CDBB	
Nc1cc(Br)c([N+](=O)[O-])c(C(=O)O)c1	4707949	VECCFFGGNNEGSY-UHFFFAOYSA-N	261.031	1.638	5	40	CDBB	
C[C@@H](Cn1cncn1)N[C@H](C)c1ccc([N+](=O)[O-])cc1	95421203	SHMWKPQQPHAEOH-WDEREUQCSA-N	275.312	1.926	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccn1	5332393	QQUKPUPPNSAGCB-UHFFFAOYSA-N	286.247	1.567	5	40	CDBB	
CC[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(C(F)(F)F)n1	8783276	JIHPLKCSWVVOEC-BYPYZUCNSA-N	267.163	1.846	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1cncn1	72281703	QGSRRENELZMMKT-UHFFFAOYSA-N	289.295	1.914	5	40	CDBB	
Nc1nc(Oc2cncc(Cl)c2)ncc1[N+](=O)[O-]	72291268	RRNIBOXONGPYBQ-UHFFFAOYSA-N	267.632	1.808	5	40	CDBB	
O=[N+]([O-])c1ccsc1Nc1cnn(CCO)c1	95986626	OIRAXMKFUMFXJF-UHFFFAOYSA-N	254.271	1.589	5	40	CDBB	
CN1CCO[C@H](COc2ccccc2[N+](=O)[O-])C1	217500308	CZWUOQOVDXNAPV-JTQLQIEISA-N	252.270	1.304	5	40	CDBB	
Cc1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)no1	78403690	OYYRCOGRTXBHFJ-UHFFFAOYSA-N	276.208	1.242	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N+]1(C)C	1740816781	UQJKDFDWVVCCPW-NSHDSACASA-N	250.322	1.880	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCCN1CCCCC1	8051585	FSUBSZBDWQZTHS-UHFFFAOYSA-N	291.351	1.739	5	40	CDBB	
O=C(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	3227269	PRWPLPRKTNKHKP-UHFFFAOYSA-N	258.617	1.063	5	40	CDBB	
O=C(O)[C@@]1(Cc2ccccc2[N+](=O)[O-])CCCN1	4241051	ZRZRSTPZRDZVOH-LBPRGKRZSA-N	250.254	1.344	5	40	CDBB	
COc1c2c(c([N+](=O)[O-])c([N+](=O)[O-])c1OC)OCO2	15085804	BZVBDXLLPFGLSJ-UHFFFAOYSA-N	272.169	1.249	5	40	CDBB	
Cc1ccnc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)c1	4710415	CRZYXIKBPANYBW-UHFFFAOYSA-N	289.295	1.914	5	40	CDBB	
Cc1ccc(C(=O)N[C@H]2CCSC2=O)cc1[N+](=O)[O-]	183109	NWATYIRRNAGQDY-VIFPVBQESA-N	280.305	1.665	5	40	CDBB	
O=C(NCCN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1	26780124	CNMJECGLTQPMMX-UHFFFAOYSA-N	294.311	1.049	5	40	CDBB	
CCc1[nH]nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1C	89280057	DDGNRYIMPSNLCC-UHFFFAOYSA-N	292.299	1.414	5	40	CDBB	
O=c1ccccn1CCNc1ccc([N+](=O)[O-])cc1	97001908	ZQGDFCWJBXWDGO-UHFFFAOYSA-N	259.265	1.869	5	40	CDBB	
CN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])cc1O	128490582	JIUWUCSKWQIXBZ-UHFFFAOYSA-N	290.279	1.306	5	40	CDBB	
COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1	575441477	PPWNNQVEVVLPHG-UHFFFAOYSA-N	265.200	1.706	5	40	CDBB	
C[C@H]1CN(c2ccc(C(=O)O)cc2[N+](=O)[O-])C[C@@H](C)O1	15443280	MTYJFJLVTITZPT-DTORHVGOSA-N	280.280	1.907	5	40	CDBB	
Cc1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C	508100	FPTBPLDHNAREMN-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
CC(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	6201809	ABYZSYDGJGVCHS-SSDOTTSWSA-N	251.242	1.058	5	40	CDBB	
CC1=C(C(=O)O)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	6664569	JRAMDMCEIDFGMQ-JTQLQIEISA-N	277.236	1.307	5	40	CDBB	
CCCCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	46033796	LVDFWXDLVALHMC-UHFFFAOYSA-N	272.326	1.982	5	40	CDBB	
C[C@H]1CN(CCNCc2ccccc2[N+](=O)[O-])C[C@H](C)O1	71792515	XHEPQRQZKNEKRB-STQMWFEESA-N	293.367	1.794	5	40	CDBB	
Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])c(C)n2)no1	95994611	ZQPCXIXBZXNQSL-UHFFFAOYSA-N	279.256	1.425	5	40	CDBB	
NNc1cc(Br)c([N+](=O)[O-])cc1[N+](=O)[O-]	223064803	YWPUXCYGZSWHNQ-UHFFFAOYSA-N	277.034	1.551	5	40	CDBB	
CCOC(=O)[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@@]1(C)O	5813010	KBDXTNCJOUVONL-ZYHUDNBSSA-N	267.237	1.126	5	40	CDBB	
CS(=O)(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4522353	WCSXXCGVKGPQHP-UHFFFAOYSA-N	284.337	1.989	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1ccc(F)cc1	209689	HLOBWYYVANVHFI-UHFFFAOYSA-N	285.256	1.476	5	40	CDBB	
Cc1c(CCO)sc[n+]1Cc1cccc([N+](=O)[O-])c1	1703842	LSSOCQMNECEEEK-UHFFFAOYSA-N	279.341	1.835	5	40	CDBB	
CC[C@@H](CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	97233210	CBSDVEFWKZGNSU-JTQLQIEISA-N	291.307	1.506	5	40	CDBB	
CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	58231231	CJROKZHNVMYEGH-UHFFFAOYSA-N	278.186	1.896	5	40	CDBB	
C[C@@H]1CCC[C@@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1	2779658	LXMJIQFQKFIKHS-GHMZBOCLSA-N	280.328	1.971	5	40	CDBB	
COC(=O)c1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1	3912563	CQLXMTMGTPOZIR-UHFFFAOYSA-N	289.251	1.497	5	40	CDBB	
CN(Cc1ccco1)C(=O)Cn1cnc([N+](=O)[O-])c1	26123090	VPGJJGBNNKDIAR-UHFFFAOYSA-N	264.241	1.043	5	40	CDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccncc1	37868077	BDJHDYOJHHSHMQ-UHFFFAOYSA-N	271.276	1.849	5	40	CDBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccco2)c1	44901228	ZQFFDXGJGPANPS-UHFFFAOYSA-N	296.304	1.807	5	40	CDBB	
Cc1cccc(OCCCS(C)(=O)=O)c1[N+](=O)[O-]	96484684	ODMRCOLNXYYSDQ-UHFFFAOYSA-N	273.310	1.717	5	40	CDBB	
O=C(NCc1nccs1)c1ccc([N+](=O)[O-])o1	72010610	KRMJWSSXDSVCLY-UHFFFAOYSA-N	253.239	1.574	5	40	CDBB	
C[C@H](C(=O)N1CCc2ccccc21)n1cc([N+](=O)[O-])cn1	4686642	YSOPVOATGGGBML-SNVBAGLBSA-N	286.291	1.942	5	40	CDBB	
CC(=O)OC(OC(C)=O)c1cc2c(cc1[N+](=O)[O-])OCO2	384420	URHMGNZXWPEWOH-UHFFFAOYSA-N	297.219	1.448	5	40	CDBB	
O=C(Nc1nncs1)c1ccc([N+](=O)[O-])cc1	4725693	WRYLWIYFSMAOJA-UHFFFAOYSA-N	250.239	1.699	5	40	CDBB	
COC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C	27939791	OONKLIXZGJDOIB-QMMMGPOBSA-N	288.325	1.216	5	40	CDBB	
CNc1c([N+](=O)[O-])cc(C(=O)OC)cc1[N+](=O)[O-]	59462405	HTTNLIJYLRDKQV-UHFFFAOYSA-N	255.186	1.331	5	40	CDBB	
Cc1nn(Cn2ccc([N+](=O)[O-])n2)c(C)c1Cl	72334151	YIFSLTCIIQNGMB-UHFFFAOYSA-N	255.665	1.764	5	40	CDBB	
COC[C@@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	67810290	FSOTYEMPZZAGEL-SNVBAGLBSA-N	291.307	1.701	5	40	CDBB	
Cc1cccc(N2CCC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-]	225459428	IFTYKYQFKADIEF-NSHDSACASA-N	277.324	1.995	5	40	CDBB	
CCOC(=O)[C@H]1CS[C@@H](c2ccccc2[N+](=O)[O-])N1	98072897	YTOUCUNGCSGZFG-KOLCDFICSA-N	282.321	1.862	5	40	CDBB	
CCCCNC(=O)COc1cccc([N+](=O)[O-])c1	6061037	HWHMRYXFXQVCCJ-UHFFFAOYSA-N	252.270	1.890	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(C)cc1	1754258	DNFJIIVNICSFGM-UHFFFAOYSA-N	275.264	1.935	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCc1nc(-c2ccco2)n[nH]1	69775118	MXXSZPAMBYKJIK-UHFFFAOYSA-N	286.251	1.980	5	40	CDBB	
Cn1cc([C@@](C)(O)CNc2ccc([N+](=O)[O-])cc2)cn1	72294832	BULGFPJEUMSSTM-ZDUSSCGKSA-N	276.296	1.648	5	40	CDBB	
COC(=O)Cc1ccc(NC(C)=O)c([N+](=O)[O-])c1	96029611	JHNRRDOVJAMTJT-UHFFFAOYSA-N	252.226	1.269	5	40	CDBB	
CC(C)[C@@](C)(O)CNC(=O)c1cc(F)ccc1[N+](=O)[O-]	75254358	BCGWWQHWVFZTIX-ZDUSSCGKSA-N	284.287	1.871	5	40	CDBB	
CCOC(=O)[C@@H](N)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	26891739	ZIPAUMXPQKXZBA-NSHDSACASA-N	277.280	1.509	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(NC[C@@H](O)C(C)(C)C)n1	80228513	JIUUVBBXKZLGKJ-SECBINFHSA-N	269.301	1.817	5	40	CDBB	
O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2CO)c1	69808328	AUEPRFSVRNLXOQ-LBPRGKRZSA-N	266.297	1.430	5	40	CDBB	
O=C(NCC1CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	97081242	DAGWURTUDKHGLT-CYBMUJFWSA-N	289.291	1.614	5	40	CDBB	
Cc1nn([C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-]	2771151	YPJCFGLSLLYLPM-ATZCPNFKSA-N	296.327	1.297	5	40	CDBB	
Cc1nn([C@H](C)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-]	6399512	RXLIUSMZLKZTSX-FOGDFJRCSA-N	296.327	1.344	5	40	CDBB	
O=c1[nH]c(/C=C/c2ccsc2)nc(O)c1[N+](=O)[O-]	17057928	CKFCCXLDVBKXIC-OWOJBTEDSA-N	265.250	1.616	5	40	CDBB	
C[C@](Cl)(C(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96518316	VMZHXRIVRFNZLE-SNVBAGLBSA-N	291.712	1.777	5	40	CDBB	
COc1cccc(Oc2ncnc(N)c2[N+](=O)[O-])c1	3892578	OKUNNXYJFKLQTD-UHFFFAOYSA-N	262.225	1.768	5	40	CDBB	
O=C(OCCCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1705408	OGMJQNNUDWUOLS-UHFFFAOYSA-N	284.224	1.432	5	40	CDBB	
O=C(NCCc1cscn1)c1ccc(O)c([N+](=O)[O-])c1	97112790	BKRGEHBRLHZPOG-UHFFFAOYSA-N	293.304	1.729	5	40	CDBB	
O=[N+]([O-])c1cc(CN2CCCC3(C2)OCCO3)cs1	84338627	CWHSGSRXHAUBBQ-UHFFFAOYSA-N	284.337	1.995	5	40	CDBB	
CN(CCn1cnc([N+](=O)[O-])n1)Cc1ccc(F)cc1	97377174	IXLHTYWRZJXTJS-UHFFFAOYSA-N	279.275	1.457	5	40	CDBB	
COC(=O)c1cnn(-c2ccccc2[N+](=O)[O-])c1N	71978691	QUAHMFAFOCASMT-UHFFFAOYSA-N	262.225	1.149	5	40	CDBB	
COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	45953439	UNDFXGKFSFLOFI-QMMMGPOBSA-N	264.237	1.121	5	40	CDBB	
O=[N+]([O-])c1cnn(CCO)c1-c1ccc(F)cc1F	96527494	DJPRLYPLUFVKBN-UHFFFAOYSA-N	269.207	1.729	5	40	CDBB	
CCCCOC(=O)c1c(O)nc(C)c([N+](=O)[O-])c1O	96193747	CNYQCTJPVGGAKD-UHFFFAOYSA-N	270.241	1.666	5	40	CDBB	
Cc1cc(S(=O)(=O)NCc2ccno2)ccc1[N+](=O)[O-]	390833441	HLXSKWUGHVZCRH-UHFFFAOYSA-N	297.292	1.370	5	40	CDBB	
Cc1nc2ccccc2cc1C[N+]12CN3CN(CN(C3)C1)C2	19322692	WUDDCJVFMGUJAJ-UHFFFAOYSA-N	296.398	1.552	5	40	CDBB	in-vitro
CCOC(=O)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]	3164950	PJPYVBIQVSZELS-UHFFFAOYSA-N	288.281	1.372	5	40	CDBB	
CC(=O)OCc1ccc([N+](=O)[O-])cc1OC(C)=O	317765	WUSCCJNXGHDQCE-UHFFFAOYSA-N	253.210	1.583	5	40	CDBB	
O=c1[nH]cnc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12	343662	KSIAYYJRCPQBCO-UHFFFAOYSA-N	257.209	1.221	5	40	CDBB	
COCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	12523064	FWJIGJDTRXDEQJ-UHFFFAOYSA-N	279.296	1.545	5	40	CDBB	
C[C@H]1CNCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	67799784	BCIQACXVOAPJIA-QMMMGPOBSA-N	283.715	1.682	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1cnc[nH]1	19938812	UPIZWJWISGSJLO-UHFFFAOYSA-N	276.252	1.671	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1NCC(=O)NCc1ccccc1	29627571	XCCYGJFXCQRFEK-UHFFFAOYSA-N	289.295	1.057	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1ccccc1	82482	BQHRDZAARKZGDY-UHFFFAOYSA-N	267.266	1.337	5	40	CDBB	
O=C(O)c1cnn(-c2ccc([N+](=O)[O-])cc2F)c1	12395478	OLDDITRQSNTZSO-UHFFFAOYSA-N	251.173	1.618	5	40	CDBB	
CNC(=O)c1ccc(NC[C@H]2CCN(C)C2)c([N+](=O)[O-])c1	71185865	VGBIXVOCRBLCDQ-SNVBAGLBSA-N	292.339	1.318	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nc3c(n2O)CCc2nonc2-3)cc1	494191	XSNFDNDGMDLCAC-UHFFFAOYSA-N	299.246	1.844	5	40	CDBB	
O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cccnc1	78824035	BRBHPMKJUSNTPU-UHFFFAOYSA-N	265.656	1.853	5	40	CDBB	
CCOC(=O)[C@@]1(C)O[C@@H]1c1ccc([N+](=O)[O-])cc1	1564168	KPBGEZBSAVNMJI-PWSUYJOCSA-N	251.238	1.988	5	40	CDBB	
COC(=O)CCCCCCC(=O)OCC[N+](C)(C)C	4977181	MXWVUFLVVAURMX-UHFFFAOYSA-N	274.381	1.749	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CO	58365750	GVZBNVSCFGKDGC-SSDOTTSWSA-N	269.257	1.106	5	40	CDBB	
C[N+]1(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)CCCCC1	102683988	KACLEKGODJDZPY-AAVRWANBSA-N	275.372	1.382	5	40	CDBB	
C[C@@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1	2779031	BZFZZOYKJQYXBW-SNVBAGLBSA-N	266.301	1.582	5	40	CDBB	
COCCN(CCOC)c1nc2ccccn2c1[N+](=O)[O-]	21673538	OATSJARGIMYFMK-UHFFFAOYSA-N	294.311	1.342	5	40	CDBB	
Cc1nonc1NC(=O)Nc1ccccc1[N+](=O)[O-]	5724565	PXOYNWWXTZZLEH-UHFFFAOYSA-N	263.213	1.930	5	40	CDBB	
CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	37977006	VDVXKTCKGCBARL-UHFFFAOYSA-N	280.689	1.430	5	40	CDBB	in-vitro
NC[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	44556149	YYZLVRPRZFJYRO-SNVBAGLBSA-N	299.352	1.097	5	40	CDBB	
CC1(C)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1	225352077	QLVYECRCZAHDOE-UHFFFAOYSA-N	252.299	1.530	5	40	CDBB	
O=C(O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]12	5347337	ANESJQQRIFXIQS-CMPLNLGQSA-N	262.265	1.821	5	40	CDBB	
O=C(O)[C@@H]1CCCN1c1nc(Cl)ccc1[N+](=O)[O-]	4105164	PGTVZKIDMGTHTK-ZETCQYMHSA-N	271.660	1.697	5	40	CDBB	
O=[N+]([O-])c1nn(CC2CC2)cc1I	72339315	CWRDXNVYSPTRGL-UHFFFAOYSA-N	293.064	1.806	5	40	CDBB	
CC(C)n1nc([N+](=O)[O-])cc1I	953126732	ZKVYQSVAVHULBP-UHFFFAOYSA-N	281.053	1.977	5	40	CDBB	
CCOC(=O)C1CCN(c2c([N+](=O)[O-])nc(C)n2C)CC1	48340563	BQACQHOBZMSEOQ-UHFFFAOYSA-N	296.327	1.416	5	40	CDBB	
CN(Cc1cccs1)C(=O)Cn1ncc([N+](=O)[O-])c1N	75110117	LELWGKNHDWIDOR-UHFFFAOYSA-N	295.324	1.094	5	40	CDBB	
COC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC	5423168	UBASDKGBNBDDJS-SECBINFHSA-N	299.239	1.103	5	40	CDBB	
COc1ccc(C)cc1NC(=O)c1c([N+](=O)[O-])cnn1C	60370	NMXQQJQVLBSPHU-UHFFFAOYSA-N	290.279	1.898	5	40	CDBB	
O=C(O)[C@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1	33448325	IHLBVFOIRJLQLE-LLVKDONJSA-N	294.263	1.049	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)C(C)(C)C)c1=O	47369156	LEKXJYIVOMITRG-UHFFFAOYSA-N	296.279	1.158	5	40	CDBB	
CCOC(=O)[C@H](C(C)=O)c1ccccc1[N+](=O)[O-]	3850356	CDDYWSOHXZFSKT-LLVKDONJSA-N	251.238	1.831	5	40	CDBB	
O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1	6225798	JSAPSBSFKXJPNP-SECBINFHSA-N	259.225	1.118	5	40	CDBB	
Cn1nnnc1Sc1cc2c(cc1[N+](=O)[O-])OCCO2	9377475	OPECOWAYDXVSSY-UHFFFAOYSA-N	295.280	1.041	5	40	CDBB	
O=C(O)CSc1nnc(-c2ccccc2[N+](=O)[O-])o1	8362645	XJJSHYWUQFKZGG-UHFFFAOYSA-N	281.249	1.822	5	40	CDBB	
CNc1ccc(CNc2ccn(C)n2)cc1[N+](=O)[O-]	89396029	WYOYZRKRGAKXBZ-UHFFFAOYSA-N	261.285	1.982	5	40	CDBB	
COC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1	39277244	VCGXBCMMVLNDAW-UHFFFAOYSA-N	267.266	1.736	5	40	CDBB	
Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])c[n+]2[O-])cc1	2577580	GEYHRYTZBNHECK-UHFFFAOYSA-N	294.288	1.369	5	40	CDBB	
O=C1c2ccc([N+](=O)[O-])cc2N[C@@H](O)c2cccn21	1581137	CLCRFRNLFWUIAX-NSHDSACASA-N	259.221	1.501	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)cn1	6510550	IJGWXLUJRHLMIW-UHFFFAOYSA-N	285.307	1.711	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCNCC2)c2ccncc12	9646652	ZTHVAURBKDIDJU-UHFFFAOYSA-N	258.281	1.553	5	40	CDBB	
O=c1nc2c3ccccc3nnn2nc1-c1ccccc1	72312842	RIFPMXYQPKZDHE-UHFFFAOYSA-N	275.271	1.700	5	40	CDBB	
O=[N+]([O-])c1ccc(SCc2nnnn2C2CC2)nc1	89794291	SLJCJLSSBWBEON-UHFFFAOYSA-N	278.297	1.604	5	40	CDBB	
COC1(C)CN(c2ncc([N+](=O)[O-])cc2Cl)C1	89919523	FPZCEQRZWQYKTA-UHFFFAOYSA-N	257.677	1.868	5	40	CDBB	
CN(CC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cn1	22419821	XBLZOPAXTUDZFC-UHFFFAOYSA-N	266.301	1.341	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CCOC1	78612279	SYSRTIOQOJJHNC-SNVBAGLBSA-N	251.238	1.849	5	40	CDBB	
CC(C)C(=O)C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21	5715349	YLCZXXUUMSAFRI-CYBMUJFWSA-N	278.264	1.350	5	40	CDBB	
CC[C@@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	33012204	PUFCVCIHDGMICT-QMMMGPOBSA-N	288.325	1.181	5	40	CDBB	
COc1ccccc1C(=O)Cn1cnc([N+](=O)[O-])c1	29749538	MEHZUSHDUYMTJE-UHFFFAOYSA-N	261.237	1.683	5	40	CDBB	
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	100174530	LOSCZVODBPQGOD-FIQHERPVSA-N	286.243	1.038	5	40	CDBB	
CNC(=O)c1cc(Cc2ccc([N+](=O)[O-])cc2)ccn1	85347977	XGUJECYXTYYTBO-UHFFFAOYSA-N	271.276	1.940	5	40	CDBB	
O=C(O)CSc1nc(-c2ccc([N+](=O)[O-])cc2)no1	61881290	ODPNJJIPTNEBKK-UHFFFAOYSA-N	281.249	1.822	5	40	CDBB	
O=[N+]([O-])c1cnc2nnc([C@@H]3COc4ccccc4O3)n2c1	41154230	BXWJSTRMYRHWPR-NSHDSACASA-N	299.246	1.545	5	40	CDBB	
CC(C)Cn1ccc2nc3ccn(N)c(=O)c3cc2c1=O	40398643	CDYAXFLNTWLDIN-UHFFFAOYSA-N	284.319	1.081	5	40	CDBB	
CCOC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2C)C1	45953584	NTAZPWNVDSTFNX-JTQLQIEISA-N	292.291	1.819	5	40	CDBB	
CCOC(=O)CSc1c([N+](=O)[O-])c(C)nn1C	1755790	BBDRYVUSGWYVBB-UHFFFAOYSA-N	259.287	1.292	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1csnn1	11916692	HYFNHTYJJHNWKO-UHFFFAOYSA-N	250.239	1.699	5	40	CDBB	
Cc1ccn(Cc2nc(C)c(C)o2)c(=O)c1[N+](=O)[O-]	95414745	XPXFVVDLZGLOQR-UHFFFAOYSA-N	263.253	1.718	5	40	CDBB	
CN1CCN(c2cc(Cl)c3nonc3c2[N+](=O)[O-])CC1	3882518	ZKZKJDSDZSVARE-UHFFFAOYSA-N	297.702	1.536	5	40	CDBB	
Cc1nn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1[N+](=O)[O-]	8267628	ZNOWSVPIWHVODB-IUCAKERBSA-N	296.327	1.044	5	40	CDBB	
COc1ccc(-c2noc([C@H]3C[C@H]3[N+](=O)[O-])n2)c(OC)c1	69873952	ZROHZYNMPQAWBH-VHSXEESVSA-N	291.263	1.886	5	40	CDBB	
O=[N+]([O-])c1cnccc1NCc1nc(-c2ccco2)n[nH]1	69843048	BYFOCOFQKNSWMS-UHFFFAOYSA-N	286.251	1.980	5	40	CDBB	
COC(=O)c1ccccc1CCn1cnc([N+](=O)[O-])n1	186592654	IEQIYMSNCXVPSO-UHFFFAOYSA-N	276.252	1.216	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1Sc1nncn1N	70462281	USVWXXHCKHOXSK-UHFFFAOYSA-N	267.270	1.060	5	40	CDBB	
NC[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)N=C2C=CC=CN21	95889594	INXFFMUJPKGIFB-GXTWGEPZSA-N	270.292	1.761	5	40	CDBB	
O=c1ccn(Cc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-]	96468011	OLNXXPOZISSQLX-UHFFFAOYSA-N	298.258	1.855	5	40	CDBB	
CCCNc1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)O	256048404	STFSWQFNRPTCML-UHFFFAOYSA-N	291.267	1.696	5	40	CDBB	
COC(=O)[C@@](C)(O)CNc1ccc(F)cc1[N+](=O)[O-]	97146544	PCMUZOGMNOCCRJ-NSHDSACASA-N	272.232	1.070	5	40	CDBB	
COc1ccc2c(c1OC)C(=O)O[C@H]2C[N+](=O)[O-]	1458807	MWGTVTAPGQJFOH-QMMMGPOBSA-N	253.210	1.192	5	40	CDBB	
CCc1c(C(C[N+](=O)[O-])C[N+](=O)[O-])ccc(OC)c1OC	3199840	DUGAXRBJJSIOFD-UHFFFAOYSA-N	298.295	1.903	5	40	CDBB	
C[N+]1([C@H]2CC[C@@H]3CCC[C@@H]2C32OCCO2)CCOCC1	104263071	VRVCNBSRFRKSAW-KKUMJFAQSA-N	282.404	1.785	5	40	CDBB	
CN1C=C(C(=O)NCCC[N+](C)(C)C)C=C/C1=C/N=O	38170373	AWUFUPQZTBKRDK-RAXLEYEMSA-O	279.364	1.192	5	40	CDBB	
CCN1C(=O)C2(OCCO2)c2cc([N+](=O)[O-])ccc21	4302958	HKXAFIDGDHDIHP-UHFFFAOYSA-N	264.237	1.161	5	40	CDBB	
CC(=O)c1ccc(-n2cnnc2[S@](C)=O)c([N+](=O)[O-])c1	71905809	SGEZHDBJPRBINB-HXUWFJFHSA-N	294.292	1.116	5	40	CDBB	
Cc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)n1N	70462400	FHHTZVMOLTXWPI-UHFFFAOYSA-N	295.280	1.058	5	40	CDBB	
CCOC(=O)c1ccc(N2CCOCC2=O)cc1[N+](=O)[O-]	228956899	YSJQVOSXSSRXEC-UHFFFAOYSA-N	294.263	1.135	5	40	CDBB	
Cc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2)no1	6223686	NHDXGENARJQSME-UHFFFAOYSA-N	262.225	1.216	5	40	CDBB	
NC(=O)N1CCCN(c2ccccc2[N+](=O)[O-])CC1	60380235	JQWJXNIQANOOMQ-UHFFFAOYSA-N	264.285	1.186	5	40	CDBB	
Cn1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1	9910664	ZBPMHNRKODVBEP-VOTSOKGWSA-N	272.264	1.980	5	40	CDBB	
CCN(CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1	37862564	UTPORTQOSZBMBW-UHFFFAOYSA-N	253.258	1.441	5	40	CDBB	
O=C(NC1CC1)c1ccsc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	69888830	UXVLDPAGMUVDNV-DTWKUNHWSA-N	295.320	1.244	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1C[C@H](O)CC(F)(F)F	189425735	MDXDBFGIOGYZJC-ZCFIWIBFSA-N	253.180	1.413	5	40	CDBB	
O=C(Oc1ccc[nH]c1=O)c1ccc([N+](=O)[O-])cc1	17064683	GNZBNIWVNPVEHL-UHFFFAOYSA-N	260.205	1.502	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC[C@H](O)C2)c([N+](=O)[O-])c1	23709351	ULNAUVWBTZSNEF-VIFPVBQESA-N	267.241	1.464	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc32)n1	375211	NQNNUFHKYVMUPO-UHFFFAOYSA-N	272.264	1.531	5	40	CDBB	
COC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1	373756	IFTJOIWPOCSFGB-UHFFFAOYSA-N	261.237	1.626	5	40	CDBB	
C[N+]12CCCC[C@H]1[C@H](CN1C(=O)CCCC1=O)CCC2	6519815	PCIBTTYAMSQPQR-QPKCZYJBSA-N	279.404	1.935	5	40	CDBB	
O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCCO1)OCO2	57547109	FUUXOAIGISMBRU-SNVBAGLBSA-N	280.280	1.592	5	40	CDBB	
CC(C)OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	29903052	WUPNYSNLJWHCLA-UHFFFAOYSA-N	294.307	1.997	5	40	CDBB	
NS(=O)(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	15174165	IUCVWFKSQNGTFN-UHFFFAOYSA-N	299.352	1.987	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)CCn2ccnc2)cc1	97085527	FQMFQMOAFJKUJR-UHFFFAOYSA-N	281.293	1.265	5	40	CDBB	
Cc1ccc(NC(=O)c2c[nH]c(C(N)=O)c2)cc1[N+](=O)[O-]	36392460	LEZKUTVJLCWWMM-UHFFFAOYSA-N	288.263	1.583	5	40	CDBB	
CCc1noc(Cn2ccc(C)c([N+](=O)[O-])c2=O)n1	83830526	USYYDOKGTUGVQX-UHFFFAOYSA-N	264.241	1.059	5	40	CDBB	
Cc1cnc(Sc2ncccc2[N+](=O)[O-])[nH]c1=O	16940888	DXZHWHRZUSCMCH-UHFFFAOYSA-N	264.266	1.533	5	40	CDBB	
Cc1cc(-c2nc(-c3nonc3N)no2)ccc1[N+](=O)[O-]	36850	FXVIYOTVCQZFIH-UHFFFAOYSA-N	288.223	1.585	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N1CCCC1	2787905	BZEKDQKKEZDQAE-VIFPVBQESA-N	266.301	1.358	5	40	CDBB	
CC[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	20038345	SPYXRQUWHUUTSV-SECBINFHSA-N	272.326	1.813	5	40	CDBB	
Cc1ccc(Cn2cc(C(=O)O)c([N+](=O)[O-])n2)cc1	408716323	LNLZKFLVYPJCNP-UHFFFAOYSA-N	261.237	1.846	5	40	CDBB	
C[C@H]([C@@H](c1ccccc1)N1CCOCC1)[N+](=O)[O-]	39379291	DZORMAWKUNFJHG-YPMHNXCESA-N	250.298	1.725	5	40	CDBB	
CS(=O)(=O)c1cnc(N)nc1-c1cccc([N+](=O)[O-])c1	96533051	JWLSPZBPKYDWFQ-UHFFFAOYSA-N	294.292	1.038	5	40	CDBB	
CC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	13939017	OVHYFCHZFXUBNC-MRVPVSSYSA-N	258.299	1.672	5	40	CDBB	
COc1cc2[nH]cc([N+](=O)[O-])c(=O)c2cc1OC	16697835	ZWHKUFJMQKYROB-UHFFFAOYSA-N	250.210	1.454	5	40	CDBB	
CN(C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-]	6605647	NXHYIPVLKRFUHC-UHFFFAOYSA-N	265.313	1.205	5	40	CDBB	
CN(C)c1cccc(Oc2nc([N+](=O)[O-])nn2C)c1	4414603	SZAJQBWVFQQYHM-UHFFFAOYSA-N	263.257	1.582	5	40	CDBB	
O=C(Cn1cccc([N+](=O)[O-])c1=O)c1ccccc1	139982	STZUXZFCUKXUCO-UHFFFAOYSA-N	258.233	1.639	5	40	CDBB	
O=C(O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	3884756	WGMPZJMJSBSASH-MRVPVSSYSA-N	295.251	1.804	5	40	CDBB	
O=[N+]([O-])c1c(N2CCSC2)nc2sccn12	69515143	KBEVJCWKQCMECX-UHFFFAOYSA-N	256.312	1.815	5	40	CDBB	
COc1ccc(Sc2nncn2N)c([N+](=O)[O-])c1	70462250	OAGIEOHBZWNXCX-UHFFFAOYSA-N	267.270	1.060	5	40	CDBB	
CC1=CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	280821115	UWHOMJZBFVZNTM-UHFFFAOYSA-N	282.321	1.936	5	40	CDBB	
C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	29957879	ABPSBRQIXBWAHW-NSHDSACASA-N	293.323	1.045	5	40	CDBB	
NCc1cc(F)c(I)cc1[N+](=O)[O-]	169800535	ZVRQGIWCJLRYRR-UHFFFAOYSA-N	296.039	1.797	5	40	CDBB	
NC(=O)[C@H]1CCC[C@H]1Nc1cccc(F)c1[N+](=O)[O-]	95429693	KNHLLLSAOIGUBH-IONNQARKSA-N	267.260	1.800	5	40	CDBB	
Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1	6120088	SLEWOPUFWWCMNY-UHFFFAOYSA-N	287.275	1.704	5	40	CDBB	
Cc1nn(CC(=O)N2CCCC[C@H]2C)c(C)c1[N+](=O)[O-]	197075	NKXFIMSAMLHLCM-SECBINFHSA-N	280.328	1.809	5	40	CDBB	
Cn1nnnc1SCc1ccccc1[N+](=O)[O-]	480106	YMIIOZSXFDNDMS-UHFFFAOYSA-N	251.271	1.411	5	40	CDBB	
CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	4783080	BUPFQLZHXWUUAG-UHFFFAOYSA-N	264.285	1.374	5	40	CDBB	
CCC(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8902418	NDVGNQXMBISCBS-UHFFFAOYSA-N	279.296	1.780	5	40	CDBB	
Cc1cccc(C(=O)NCCn2nc([N+](=O)[O-])cc2C)c1	2800641	BASKFOYGURZXDS-UHFFFAOYSA-N	288.307	1.838	5	40	CDBB	
O=C(O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	3747797	LBVNOYYAWUGGRB-UHFFFAOYSA-N	264.281	1.891	5	40	CDBB	
CC[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	4313645	DWRZOYXDFHTLDM-VIFPVBQESA-N	272.326	1.980	5	40	CDBB	
Cc1nnc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)s1	5943325	PCKXYAYXGMPOIL-UHFFFAOYSA-N	290.260	1.555	5	40	CDBB	
CC1CCN(C[C@H](O)CNc2ccncc2[N+](=O)[O-])CC1	67373336	DJBQOJFAWXDNAF-GFCCVEGCSA-N	294.355	1.495	5	40	CDBB	
CC[C@H]1C(=O)NCCN1c1cc(C)c([N+](=O)[O-])cn1	95411568	JDNWUFWZHDCFEC-VIFPVBQESA-N	264.285	1.013	5	40	CDBB	
COc1cc([N+](=O)[O-])cc(I)c1N	39129456	WOHLLCCFWMXXND-UHFFFAOYSA-N	294.048	1.790	5	40	CDBB	
CN1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1	47829188	GDDHCXOZZBGGKK-UHFFFAOYSA-N	277.324	1.348	5	40	CDBB	
NC(=O)CCn1ccc(Nc2ccccc2[N+](=O)[O-])n1	96410289	WRVTWROFKSMDLX-UHFFFAOYSA-N	275.268	1.410	5	40	CDBB	
O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1CO	95948540	HWSWNQOSVRDARQ-LLVKDONJSA-N	266.297	1.430	5	40	CDBB	
CCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	16624184	IZINBUAHXOOPDS-ZDUSSCGKSA-N	277.280	1.772	5	40	CDBB	
Cc1nnc2n1N=C(c1cccc([N+](=O)[O-])c1)CS2	16740115	SFANQWNJDGRKJV-UHFFFAOYSA-N	275.293	1.853	5	40	CDBB	
CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	42265990	NZEKCKDXTXPUSZ-UHFFFAOYSA-N	262.262	1.422	5	40	CDBB	in-vitro
CC(C)[C@H](CNc1ncccc1[N+](=O)[O-])N1CCOCC1	12812001	KABPMNZXFPSRID-ZDUSSCGKSA-N	294.355	1.759	5	40	CDBB	
O=C(O)[C@@H]1CS[C@H](c2ccccc2[N+](=O)[O-])N1	2750021	ZVOYQTDOMWNUHN-IONNQARKSA-N	254.267	1.383	5	40	CDBB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC=O)cc21	408529326	JDLOYBQGCWYEMS-UHFFFAOYSA-N	278.268	1.319	5	40	CDBB	
CCc1nonc1NC(=O)c1ccc([N+](=O)[O-])cc1	16753501	RDKHSIPUEAEZDD-UHFFFAOYSA-N	262.225	1.793	5	40	CDBB	
CCN(CC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1	19169027	XIEAZBWADTVRNV-UHFFFAOYSA-N	266.301	1.380	5	40	CDBB	
Cc1cc(NC(=O)Cn2ccc(C)c([N+](=O)[O-])c2=O)no1	84247989	JXLYJQRKDSALHF-UHFFFAOYSA-N	292.251	1.000	5	40	CDBB	
COC(=O)c1conc1[C@@H](O)c1ccc([N+](=O)[O-])cc1	504695374	LHIIEOGWOZGKCR-NSHDSACASA-N	278.220	1.451	5	40	CDBB	
C[N@+]12CCCC[C@@H]1[C@@H](N1C(=O)CCCC1=O)CCC2	247644244	JBUTUZWQGOBNHH-OGHNNQOOSA-N	265.377	1.687	5	40	CDBB	biogenic,in-vitro
CC(C)n1nc(I)cc1[N+](=O)[O-]	953001603	NCMLSTCHHZCVSL-UHFFFAOYSA-N	281.053	1.977	5	40	CDBB	
COC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC	22624549	RMNKGNZVNJRHQO-QMMMGPOBSA-N	268.269	1.368	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C(=O)O)C1	62119317	LMNPKVXFQLLQSN-VIFPVBQESA-N	278.264	1.450	5	40	CDBB	
CN(CC1CC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	49236143	HBRORGPHVYIGGH-UHFFFAOYSA-N	284.337	1.845	5	40	CDBB	
O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@H]2CCCC[C@H]2C1	95979023	PBFZZZCOSZOJDG-DTORHVGOSA-N	264.285	1.580	5	40	CDBB	
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](CO)C1	225238090	VITRRSJRKUMNET-SECBINFHSA-N	279.300	1.041	5	40	CDBB	
C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	97238050	DSFWIUCQHHIVOD-DVYJOKAKSA-N	289.291	1.612	5	40	CDBB	
COC(=O)c1n[nH]c2c(OC)ccc([N+](=O)[O-])c12	96023985	QYTSWBUMZLQDHF-UHFFFAOYSA-N	251.198	1.266	5	40	CDBB	
C[C@H](O)C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	254321262	ZSOWTAJVTXSYKL-RMRHIDDWSA-N	256.366	1.320	5	40	CDBB	
C[N+]1(C[C@@H]2COC3(CCCCC3)O2)CCOCC1	202473	XGAVRSHGIBDPMJ-CYBMUJFWSA-N	256.366	1.539	5	40	CDBB	
O=c1ccc(-c2nnco2)cn1Cc1ccccc1[N+](=O)[O-]	54255615	DQNWPDKSTXVXJJ-UHFFFAOYSA-N	298.258	1.855	5	40	CDBB	
COC(=O)c1ncn(Cc2cccc([N+](=O)[O-])c2)n1	78995425	YAZFJSVXJHNICZ-UHFFFAOYSA-N	262.225	1.021	5	40	CDBB	
CCOC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C	58378011	VRNCDKCXDYVLNS-UHFFFAOYSA-N	255.274	1.751	5	40	CDBB	
CN(CC(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1Cl	9376640	MPMPMJMZGSRAIR-UHFFFAOYSA-N	283.715	1.963	5	40	CDBB	
O=c1c([N+](=O)[O-])cccn1Cc1ccccc1[N+](=O)[O-]	72282632	CJTMJWJBRSIBEG-UHFFFAOYSA-N	275.220	1.713	5	40	CDBB	
NCC(=O)c1cccc([N+](=O)[O-])c1Br	169800526	YJCHHJGZBUHKNT-UHFFFAOYSA-N	259.059	1.499	5	40	CDBB	
CCCNC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1	24991242	ASKKPOWXRMJXQV-UHFFFAOYSA-N	292.339	1.732	5	40	CDBB	
C[C@@H](C(=O)Nc1ccccc1)n1cc([N+](=O)[O-])cn1	1423696	FFYALDJBJHDCHR-VIFPVBQESA-N	260.253	1.991	5	40	CDBB	
O=C1OCC[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@H]12	108362699	VQZXPJYMFVBSBL-KWQFWETISA-N	263.253	1.132	5	40	CDBB	
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC[C@H](CO)C1	253576046	VITRRSJRKUMNET-VIFPVBQESA-N	279.300	1.041	5	40	CDBB	
CCN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	32401356	SXSQKBKNIOIXDN-UHFFFAOYSA-N	288.325	1.634	5	40	CDBB	
CC(=O)N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O	33304771	WXJKFHSOMYAKSR-POHAHGRESA-N	250.210	1.156	5	40	CDBB	
C[C@H]1C[C@@H]1C(=O)NC[C@H](O)COc1ccc([N+](=O)[O-])cc1	58162309	ILAHTDREINJOAK-GAFUQQFSSA-N	294.307	1.107	5	40	CDBB	
C[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1	108992589	RINBQNANAFOJQD-GHMZBOCLSA-N	293.323	1.643	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCCN2CCOCC2)cc1	19737072	JHPKICVISZEWHB-UHFFFAOYSA-N	265.313	1.729	5	40	CDBB	
O=[N+]([O-])c1cccc2c1NC(Cl)=NS2(=O)=O	95096754	ZJJMPZMVLGILKW-UHFFFAOYSA-N	261.646	1.304	5	40	CDBB	
NC(=O)[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1	95405862	CKEZCVRFILGKOU-VIFPVBQESA-N	297.742	1.946	5	40	CDBB	
C[C@H]1CCC[C@@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C	2778557	LZNXBHPFBWWQQL-DTORHVGOSA-N	266.301	1.731	5	40	CDBB	
O=C(O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@H]12	34781430	ZCYAUKIMNJXVPW-CMPLNLGQSA-N	278.264	1.057	5	40	CDBB	
Cc1cc(COC(=O)c2cnn(C)c2)ccc1[N+](=O)[O-]	97081011	NLRJKSDVOXKVCJ-UHFFFAOYSA-N	275.264	1.994	5	40	CDBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccccn1	12719294	QHKZSEWEPPBAKN-UHFFFAOYSA-N	283.243	1.786	5	40	CDBB	
O=C(O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1	13091785	OPNLFLYRIBTGOC-UHFFFAOYSA-N	290.231	1.816	5	40	CDBB	
COC[C@@H](CN(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1	1577304	WPTOCXBUQNGTGD-GFCCVEGCSA-N	282.296	1.328	5	40	CDBB	
CCC1([N+](=O)[O-])COP(=O)(N2C[C@@H]2C)OC1	4990816	AIGOQINEWULJSA-WFNZOOHCSA-N	250.191	1.271	5	40	CDBB	
CCCNC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	6540481	KPXZROFYUCFDJY-SECBINFHSA-N	279.296	1.239	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2[nH]ncc2[N+](=O)[O-])s1	8409991	JTZKQILOTXGOQA-UHFFFAOYSA-N	285.197	1.863	5	40	CDBB	
C[C@@H](C[S@](C)=O)N(C)c1ccc([N+](=O)[O-])cn1	96011435	HZBKSLQETRTVRW-WNWIJWBNSA-N	257.315	1.193	5	40	CDBB	
O=[N+]([O-])c1ccc(-c2nc3c4cn[nH]c4ncn3n2)cc1	6829152	RKWUZZQZJXVUGT-UHFFFAOYSA-N	281.235	1.576	5	40	CDBB	
O=C(CSc1ncn[nH]1)Nc1ccc(F)cc1[N+](=O)[O-]	9721668	RPMVBJQNRRKFOM-UHFFFAOYSA-N	297.271	1.583	5	40	CDBB	
COC(=O)[C@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2s1	408739059	SGTQYMUBDWXGLK-QMMMGPOBSA-N	297.292	1.150	5	40	CDBB	
COc1cc(N2CCN[C@H](C)C2)ccc1[N+](=O)[O-]	91356015	DJKFKHDMPIGVCK-SECBINFHSA-N	251.286	1.402	5	40	CDBB	
COCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	5669760	BNPRWQWQSGDPPE-VOTSOKGWSA-N	264.281	1.761	5	40	CDBB	
C[n+]1ccn2c3nc4ccccc4nc3cc(O)c21	5796668	NFDLWEWVWKBLSP-UHFFFAOYSA-O	251.269	1.566	5	40	CDBB	
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(Cl)cn1	1428936	DSFJBKYSOCXVHR-UHFFFAOYSA-N	281.659	1.478	5	40	CDBB	
O=c1oc2ccccc2c(N2CCOCC2)c1[N+](=O)[O-]	3895944	PYOMMFZCTIFHMA-UHFFFAOYSA-N	276.248	1.538	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCC2)C1	90552253	YJLSGBOVNPHQPF-UHFFFAOYSA-N	277.324	1.633	5	40	CDBB	
Cn1cnnc1CN1CCc2ccc([N+](=O)[O-])cc21	182787970	IDRYXRCHNPKSER-UHFFFAOYSA-N	259.269	1.286	5	40	CDBB	
Nc1c([N+](=O)[O-])ncc(Cl)c1Br	95635454	GDCMUFGDPIVRMX-UHFFFAOYSA-N	252.455	1.988	5	40	CDBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)O	4219000	YSOQJVVFOIIKBC-ZCFIWIBFSA-N	288.281	1.124	5	40	CDBB	in-vitro
Cc1cnc(NC(=O)c2c([N+](=O)[O-])cnn2C)s1	2767684	JRFPOXMRANNVAZ-UHFFFAOYSA-N	267.270	1.346	5	40	CDBB	
COc1ccc([C@H]2CC(=O)Nc3ncnn32)cc1[N+](=O)[O-]	6200067	CWDUZGUDTHZTSF-MRVPVSSYSA-N	289.251	1.127	5	40	CDBB	
Cc1n[nH]c(=S)n1NCc1cccc([N+](=O)[O-])c1	7601233	AUBFDRCKDOMYFB-UHFFFAOYSA-N	265.298	1.901	5	40	CDBB	
COC(=O)N(C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	56450392	DEQVHEXPAUTKJI-GHMZBOCLSA-N	293.279	1.493	5	40	CDBB	
Cn1nc([N+](=O)[O-])nc1Sc1ccccc1N	9142748	AIZNIFIFEKGWGL-UHFFFAOYSA-N	251.271	1.457	5	40	CDBB	
O=[N+]([O-])c1cccnc1NC1CCS(=O)CC1	95458353	MJXWZTWLAYPTIO-UHFFFAOYSA-N	255.299	1.313	5	40	CDBB	
C[C@@H]([C@H](c1ccccc1)N1CCOCC1)[N+](=O)[O-]	39379292	DZORMAWKUNFJHG-WCQYABFASA-N	250.298	1.725	5	40	CDBB	
O=[N+]([O-])c1ccc2nc(S(=O)(=O)O)sc2c1	199990088	PDTRWPMOBLLQOH-UHFFFAOYSA-N	260.252	1.451	5	40	CDBB	
N=C(Nc1ncccc1[N+](=O)[O-])N1CCC(CO)CC1	225246333	VKDYZNSMFRJWTA-UHFFFAOYSA-N	279.300	1.041	5	40	CDBB	
C[C@@H](C(=O)O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	51659020	DNKUVUQDFWCXSU-JTQLQIEISA-N	279.296	1.190	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC1CCCC1	10327769	AMRFJJIVERATMQ-UHFFFAOYSA-N	291.307	1.901	5	40	CDBB	
C[N+](C)(C)CCS(=O)(=O)c1ccc(Cl)cc1	1737027	BSUBAMCFVQUAPJ-UHFFFAOYSA-N	262.782	1.820	5	40	CDBB	
NS(=O)(=O)c1cc(Cl)cc([N+](=O)[O-])c1Cl	4181926	AFJMKFLFEXZYPP-UHFFFAOYSA-N	271.081	1.549	5	40	CDBB	
O=[N+]([O-])c1nc[nH]c1NNC(=S)Nc1ccccc1	6161333	BLKMDWVEBVDYFX-UHFFFAOYSA-N	278.297	1.631	5	40	CDBB	
C[C@H](CC(=O)O)n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	408715668	CHHYLABZUKQBLX-RXMQYKEDSA-N	297.189	1.768	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Cl	225726003	XSDZVQPXHDUPJU-UHFFFAOYSA-N	260.589	1.943	5	40	CDBB	
CCOC(=O)c1nc(-c2cc([N+](=O)[O-])ccc2O)n[nH]1	85385996	DRYJCTMKMNFFNF-UHFFFAOYSA-N	278.224	1.262	5	40	CDBB	
Cc1c(Cn2cc(Cl)c([N+](=O)[O-])n2)cnn1C	2736030	LRLBKJAMEFUPEG-UHFFFAOYSA-N	255.665	1.535	5	40	CDBB	
COC(CNc1ccc([N+](=O)[O-])c2nonc12)OC	4311318	IGZGFEHTBWIOAE-UHFFFAOYSA-N	268.229	1.162	5	40	CDBB	
CCCN[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O	3881047	YNDLVTASTZWUQY-LLVKDONJSA-N	295.295	1.376	5	40	CDBB	
O=C(NCCNc1ncccc1[N+](=O)[O-])c1ccccc1	24205446	GAPOQJJWNBNTJK-UHFFFAOYSA-N	286.291	1.832	5	40	CDBB	
C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[C@@H]2CC[C@@H]1C2	101527657	GRISJYFIOPYNHE-ZDCRXTMVSA-N	292.339	1.883	5	40	CDBB	
CN1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	101986284	DKAHWYVKZRDCQL-AATRIKPKSA-N	289.335	1.818	5	40	CDBB	
CCN1CCO[C@H](COc2ccc([N+](=O)[O-])cc2)C1	217503761	YJMNNQANRFPRRN-ZDUSSCGKSA-N	266.297	1.694	5	40	CDBB	
Cc1nc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n(C)n1	195561368	UPDLFCXACXJNQE-UHFFFAOYSA-N	289.295	1.603	5	40	CDBB	
CCN(C)c1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1	5253071	HABIVJSIWSZOKR-UHFFFAOYSA-N	292.299	1.628	5	40	CDBB	
O=[N+]([O-])c1c(O)nn2cnnc2c1/C=C/c1ccc(O)cc1	16400221	WGMBWVSKALTGLW-ZZXKWVIFSA-N	299.246	1.614	5	40	CDBB	
Cc1ccc(NC(=O)c2ccc(O)nn2)cc1[N+](=O)[O-]	33023460	SWPFWLMYHRBBFG-UHFFFAOYSA-N	274.236	1.651	5	40	CDBB	
O=C(O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCSC[C@H]12	36351033	FLBRQVBTNGJUMJ-CMPLNLGQSA-N	294.332	1.774	5	40	CDBB	
Cc1nn(C(=O)Cn2ccc([N+](=O)[O-])n2)c(C)c1Cl	4727250	FCIQQONQUPRRDT-UHFFFAOYSA-N	283.675	1.598	5	40	CDBB	
CC(C)[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	23994002	JQSXQTSOKNGRSR-SECBINFHSA-N	272.326	1.918	5	40	CDBB	
Cc1cc(NC(=O)N2CCC[C@H]2CO)ccc1[N+](=O)[O-]	97095970	OHRSRSPHNSQHAG-NSHDSACASA-N	279.296	1.892	5	40	CDBB	
CCOC(=O)[C@H]1CS[C@H](c2ccccc2[N+](=O)[O-])N1	98072895	YTOUCUNGCSGZFG-MWLCHTKSSA-N	282.321	1.862	5	40	CDBB	
CCCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1O	5792822	QSFSXUQLQKZADG-UHFFFAOYSA-N	281.312	1.420	5	40	CDBB	
C[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1	2744078	RFIZTYPSRGJRCI-SNVBAGLBSA-N	266.301	1.440	5	40	CDBB	
Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)on1	65607203	VFEWFXSUNQCZHT-UHFFFAOYSA-N	297.292	1.370	5	40	CDBB	
COC(=O)c1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1	157933	BZRUJPHNGAAFPG-UHFFFAOYSA-N	273.268	1.717	5	40	CDBB	
O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2CO)c1	23115286	JBWHIBOYYSKOES-CYBMUJFWSA-N	250.298	1.942	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	1706209	PSWSYSXZAYFPQB-UHFFFAOYSA-N	254.198	1.988	5	40	CDBB	
O=C(O)/C=C/C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	2740627	TUPOUSSKZNAZQW-ONEGZZNKSA-N	254.173	1.313	5	40	CDBB	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCC1=CCCC1	95435546	CQXKFMVEKBJTQN-UHFFFAOYSA-N	291.307	1.373	5	40	CDBB	
Cc1nc(NC(C)(C)CO)c([N+](=O)[O-])cc1[N+](=O)[O-]	19815726	MJXPPQNZCOFDDJ-UHFFFAOYSA-N	270.245	1.389	5	40	CDBB	
Brc1ccc2nc3nc4nonc4nc3n2c1	408721444	IFCFOSVYZDTJDH-UHFFFAOYSA-N	291.068	1.576	5	40	CDBB	
CCOc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]	39289385	OMHGUPCRBWWHHN-UHFFFAOYSA-N	256.170	1.600	5	40	CDBB	
O=[N+]([O-])c1c(N2CCN3CCC[C@@H]3C2)nc2ccccn12	24659946	HZIKEQWYTKADBL-LLVKDONJSA-N	287.323	1.527	5	40	CDBB	
CC(C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	46231165	BAGDMCHKGSWPJG-UHFFFAOYSA-N	287.341	1.700	5	40	CDBB	
O=C(NCC(F)F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	96005768	ZDWYIOONFDSCMM-JTQLQIEISA-N	299.233	1.469	5	40	CDBB	
CCOC(=O)c1ccc(NC(C)=O)c([N+](=O)[O-])c1	4381637	AQEATNDLNBFMRO-UHFFFAOYSA-N	252.226	1.730	5	40	CDBB	
NC(=O)[C@@H]1CCC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-]	95429696	KNHLLLSAOIGUBH-APPZFPTMSA-N	267.260	1.800	5	40	CDBB	
CCOC(=O)[C@@H]1Oc2ccc([N+](=O)[O-])cc2[C@@]1(C)O	5813012	KBDXTNCJOUVONL-CMPLNLGQSA-N	267.237	1.126	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)N1	82259048	BVQWDSOZIYLQQI-VIFPVBQESA-N	263.253	1.120	5	40	CDBB	
Cc1ccc(C(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-]	20479242	LKKORHLFFBBOJB-UHFFFAOYSA-N	277.324	1.681	5	40	CDBB	
Cc1nn(C)c(N2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-]	47330952	YQGIBUNOBUEPST-HTQZYQBOSA-N	254.290	1.250	5	40	CDBB	
COc1cc([N+](=O)[O-])c(Br)c(C=O)c1O	2566094	GVGPCXQPEWSGGZ-UHFFFAOYSA-N	276.042	1.884	5	40	CDBB	
CCOC(=O)[C@@H](C(C)=O)c1ccccc1[N+](=O)[O-]	3850357	CDDYWSOHXZFSKT-NSHDSACASA-N	251.238	1.831	5	40	CDBB	
CN1C(=O)C[C@H](C(=O)O)[C@H]1c1cccc([N+](=O)[O-])c1	57961899	UQQKHBGZFVNSCG-GXSJLCMTSA-N	264.237	1.199	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCCC[C@@H]1C	7344464	OIBVFTPADWMEQY-ONGXEEELSA-N	280.328	1.795	5	40	CDBB	
Cc1ccc(OC[C@@H](O)Cn2nc([N+](=O)[O-])cc2C)cc1	195562231	LKOGPEPDBODMQW-LBPRGKRZSA-N	291.307	1.848	5	40	CDBB	
C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)CCN)CCC2	254352112	YUWVOVMUDMIUFN-XJKCOSOUSA-N	255.382	1.288	5	40	CDBB	biogenic,in-vitro
CC(=O)NCCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	97095320	OWUIJAWDDYSTCF-UHFFFAOYSA-N	299.714	1.504	5	40	CDBB	
CC(=O)OC[C@H]([C@@H](OC(C)=O)c1ccccc1)[N+](=O)[O-]	5166189	AYBALPYBYZFKDS-OLZOCXBDSA-N	281.264	1.499	5	40	CDBB	in-vitro
CC(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	31204701	JBPHPVWWPHGNCW-UHFFFAOYSA-N	274.280	1.919	5	40	CDBB	
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](O)C1	33040244	PQWGTNGDOZCMIA-GXFFZTMASA-N	293.323	1.379	5	40	CDBB	
CCOC(=O)COc1cc(/C=C/[N+](=O)[O-])ccc1OC	9235715	CENLDNYJKYMETB-VOTSOKGWSA-N	281.264	1.885	5	40	CDBB	
O=C(O)C1=C[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1	100646386	FHEGNQAYWPIEPY-SNVBAGLBSA-N	287.235	1.170	5	40	CDBB	
Nc1nc(O)c(Sc2ccccc2[N+](=O)[O-])c(=O)[nH]1	5071723	WGPCNWAIOHJDGG-UHFFFAOYSA-N	280.265	1.117	5	40	CDBB	
Cc1cc(S(=O)(=O)n2ccnc2C)cc([N+](=O)[O-])c1C	5235069	VXYCYRSVTRIULW-UHFFFAOYSA-N	295.320	1.954	5	40	CDBB	
CC(C)C(=O)NCC(=O)Nc1ccccc1[N+](=O)[O-]	95405239	INKGEPVUTPNTHG-UHFFFAOYSA-N	265.269	1.306	5	40	CDBB	
CC(C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1	69537616	LLAHUKMTFLYQGW-UHFFFAOYSA-N	275.268	1.974	5	40	CDBB	
CC[C@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1C	123882717	SGNKHHWEPWXIGB-LLVKDONJSA-N	266.297	1.333	5	40	CDBB	
NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1Br	38137002	NJEXZIQIPXGKTD-UHFFFAOYSA-N	295.114	1.146	5	40	CDBB	in-vitro
CCSCC[C@@H](C)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	96433096	BACSTXGEWJRSEO-SSDOTTSWSA-N	286.357	1.888	5	40	CDBB	
CNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	48805965	RFVGVTONLPNIGA-SCZZXKLOSA-N	297.698	1.303	5	40	CDBB	
CC1=C[C@@H](C)[C@H]2C(=O)N(CCC[N+](C)(C)C)C(=O)[C@H]2C1	96129681	GOEBHGSAJXXUNJ-HZSPNIEDSA-N	279.404	1.670	5	40	CDBB	biogenic
C[C@H]1CCC[C@H]1Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O	97082479	HETLVBDSDZKZSA-WCBMZHEXSA-N	299.352	1.843	5	40	CDBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H](O)C1	35186952	CDWHYQRWAJAHJP-GUOLPTJISA-N	276.292	1.591	5	40	CDBB	
Cc1cc(=O)n(Cc2cscn2)cc1[N+](=O)[O-]	96474492	HQPQCWLEOHDHQB-UHFFFAOYSA-N	251.267	1.570	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cccc(F)c1	12629960	NMDAVEXRVHLNGO-UHFFFAOYSA-N	264.216	1.569	5	40	CDBB	
C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])c1	12648133	FRISGXUENRMEMQ-UWVGGRQHSA-N	266.301	1.486	5	40	CDBB	
COC(=O)c1ccc(NCCC(=O)O)c([N+](=O)[O-])c1	4668831	DRPJJWSTFQFHKU-UHFFFAOYSA-N	268.225	1.268	5	40	CDBB	
O=[N+]([O-])c1ccc(C2=Nn3cnnc3SC2)cc1	6863223	JCTWTQOYPUKPPK-UHFFFAOYSA-N	261.266	1.544	5	40	CDBB	
C[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	408716838	ROUORSQWDRKPCA-YFKPBYRVSA-N	297.189	1.768	5	40	CDBB	
COC(=O)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C	72314279	YEPCBPZPJCEEMV-QMMMGPOBSA-N	295.295	1.976	5	40	CDBB	
Cc1n[nH]c(C)c1CC(=O)NCc1cccc([N+](=O)[O-])c1	190533426	DRLILXSGXVZOIJ-UHFFFAOYSA-N	288.307	1.794	5	40	CDBB	
CC1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCC1	97376183	LZYQKLYIZIMYFN-UHFFFAOYSA-N	299.352	1.844	5	40	CDBB	
COCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C	27934821	DQMFNTMEUIODSW-UHFFFAOYSA-N	288.325	1.218	5	40	CDBB	
O=[N+]([O-])c1cc(-n2cnnn2)ccc1N1CCCCC1	4181656	MQCMPPCECJLLAY-UHFFFAOYSA-N	274.284	1.561	5	40	CDBB	
Cc1nn([C@@H](C)C(=O)Nc2cnn(C)c2C)cc1[N+](=O)[O-]	2779195	GMVISSFLVZHPNV-VIFPVBQESA-N	292.299	1.341	5	40	CDBB	
CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	14399499	KCNLUHGNXIOZAB-UHFFFAOYSA-N	258.299	1.592	5	40	CDBB	
COc1ccc2c3oc(=O)cc(O)c3c(=O)n(C)c2c1	6557199	OGUDTVHIYRYVBO-UHFFFAOYSA-N	273.244	1.359	5	40	CDBB	
Nc1nc(N(CCO)Cc2ccsc2)ncc1[N+](=O)[O-]	76064147	BGUGIFBGJMWISX-UHFFFAOYSA-N	295.324	1.027	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCn2cnnc2)c(Cl)c1	45958619	LQBTYUIBOSPUGA-UHFFFAOYSA-N	267.676	1.952	5	40	CDBB	
CC(C)Nc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C(N)=O	225728102	JHMYUCVDKAPQFR-UHFFFAOYSA-N	268.229	1.422	5	40	CDBB	
CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1	3844471	RFBGFZQWTGSBQS-UHFFFAOYSA-N	262.225	1.352	5	40	CDBB	
O=C(CCNc1ncccc1[N+](=O)[O-])N1CCCC1	25056873	VAWFJGPNKBNMAN-UHFFFAOYSA-N	264.285	1.414	5	40	CDBB	
CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCC(N)=O	6960668	GKLIYSDPXVNZHE-AATRIKPKSA-N	266.253	1.197	5	40	CDBB	
COCCCNC(=S)Nc1ccc(N)c([N+](=O)[O-])c1	7784725	RIZBUMCRMGLZSF-UHFFFAOYSA-N	284.341	1.500	5	40	CDBB	
N=c1[nH]nc(-c2cc([N+](=O)[O-])n(C(F)F)n2)s1	408717742	REXMXAMDQBVLQZ-UHFFFAOYSA-N	262.201	1.117	5	40	CDBB	
C=CN1CC[C@H](C(=O)c2ccccc2[N+](=O)[O-])C1=O	1772715326	WXBKQSRXPWOZDF-SNVBAGLBSA-N	260.249	1.770	5	40	CDBB	
O=[N+]([O-])c1ccc2cc(O)cc(S(=O)(=O)O)c2c1	3844816	ZLQRTXWMPHELNM-UHFFFAOYSA-N	269.234	1.700	5	40	CDBB	
CC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(=N)s1	3848843	HBGBPZSKZOIPOE-UHFFFAOYSA-N	264.266	1.524	5	40	CDBB	
Nc1nc(Cl)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-]	5119898	GGBHPKCPKKGDIA-YFKPBYRVSA-N	273.680	1.211	5	40	CDBB	
COc1ccc(C(=O)N(CCO)C(C)(C)C)cc1[N+](=O)[O-]	4699342	MTMMBMHEWIQSRU-UHFFFAOYSA-N	296.323	1.836	5	40	CDBB	
CCNC(=O)CNc1cc(OC)c(F)cc1[N+](=O)[O-]	130875768	CXGBEFNUHGLOOH-UHFFFAOYSA-N	271.248	1.291	5	40	CDBB	
COc1ccc(-c2c([N+](=O)[O-])cnn2CCO)cc1OC	96527498	DAMPUDXAHPCGOU-UHFFFAOYSA-N	293.279	1.468	5	40	CDBB	
O=c1[nH]c(/C=C/c2ccccc2O)nc(O)c1[N+](=O)[O-]	16448952	NDKNAWUDSBJNSB-AATRIKPKSA-N	275.220	1.260	5	40	CDBB	
CC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1	15173455	WTILWIJTWUUOCE-UHFFFAOYSA-N	263.297	1.549	5	40	CDBB	
Nc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccccn1	4830567	ZDFRCJULMOSAEX-UHFFFAOYSA-N	259.221	1.791	5	40	CDBB	
O=C(c1[nH]ncc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1	95978278	QPCLWSOTNDGRHH-UHFFFAOYSA-N	293.327	1.018	5	40	CDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCNCC1	36962404	OTVXOVIUHJJMOM-UHFFFAOYSA-N	264.285	1.468	5	40	CDBB	
Cc1cnc(N[C@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1	95430293	FWNFFMNEVJAPSH-UWVGGRQHSA-N	278.312	1.754	5	40	CDBB	
C[C@H]1CN(c2ccc(C=O)cc2[N+](=O)[O-])CCO1	32869754	SDZADVZOFFMRNA-VIFPVBQESA-N	250.254	1.632	5	40	CDBB	
O=c1[nH]c(O)nnc1SCc1c(F)cccc1[N+](=O)[O-]	138689	MZURROZYMGEZGH-UHFFFAOYSA-N	298.255	1.210	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCCCCC1	325664	AAKSGKJEOXVTQX-UHFFFAOYSA-N	266.301	1.502	5	40	CDBB	
Cn1ccs/c1=N\C(=O)Cc1ccc([N+](=O)[O-])cc1	36316737	RAOFJOREWZAVBH-SEYXRHQNSA-N	277.305	1.665	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnccn1	6246357	XCIFXHYFVRQAOP-UHFFFAOYSA-N	274.236	1.646	5	40	CDBB	
NC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1	8053518	IENRPHLZAGPXJN-MRVPVSSYSA-N	283.715	1.950	5	40	CDBB	
CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	9726269	OOTRSVCTNNMIIC-MRVPVSSYSA-N	288.325	1.680	5	40	CDBB	
CC(C)Oc1nn([C@@H](C)CC(=O)O)cc1[N+](=O)[O-]	408715281	AMUBDZIPXSBPKD-ZETCQYMHSA-N	257.246	1.614	5	40	CDBB	
CC(C)n1cc([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1	95098504	IVVMVMTXCVNXST-VIFPVBQESA-N	254.290	1.963	5	40	CDBB	
O=C1NCCN1C(=O)Nc1ccccc1[N+](=O)[O-]	5514967	ZNHQQLPMGNHFEK-UHFFFAOYSA-N	250.214	1.152	5	40	CDBB	
C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1	36594952	ZGSLVNZHHNTCPG-GFCCVEGCSA-N	299.304	1.329	5	40	CDBB	
CCOC(=O)c1cc(N)n(-c2cccc([N+](=O)[O-])c2)n1	71978724	RYZKWPFPMHPOEG-UHFFFAOYSA-N	276.252	1.539	5	40	CDBB	
NC(=O)/C=C\c1cc(Br)cc([N+](=O)[O-])c1	226305805	LIQGABRBUJGOAE-UPHRSURJSA-N	271.070	1.856	5	40	CDBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)c1ccco1	96436062	HOGPFKXEINSHAM-LBPRGKRZSA-N	290.275	1.580	5	40	CDBB	
CN(C)CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	5342158	RGVAUVUTDNAAJN-BQYQJAHWSA-N	277.324	1.676	5	40	CDBB	
O=C1NC(=O)/C(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)S1	4828919	CHFDKPMDYFIDBA-FPLPWBNLSA-N	291.244	1.891	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)n1cccc1	3128976	YTQHREXERZGIKH-UHFFFAOYSA-N	252.251	1.633	5	40	CDBB	in-vitro
Cc1cc(C(=O)N[C@@H](C)Cn2cccn2)ccc1[N+](=O)[O-]	24805372	GCDHCRZQRRUILD-NSHDSACASA-N	288.307	1.918	5	40	CDBB	
O=C(C1CC1)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1	25048450	OKNHNSGLUYKFTG-UHFFFAOYSA-N	290.323	1.803	5	40	CDBB	
COC(=O)c1cc2c(=O)oc3ccccc3c2nc1N	24718158	TWXWIRDTWWBOBQ-UHFFFAOYSA-N	270.244	1.710	5	40	CDBB	
O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1N1CCCC1	7943157	LXXAGVDGBLIDTC-UHFFFAOYSA-N	260.253	1.432	5	40	CDBB	
CCOC(=O)c1nnc(-c2cccc([N+](=O)[O-])c2)o1	91696017	QGSJPSGGSCHNRY-UHFFFAOYSA-N	263.209	1.822	5	40	CDBB	in-vitro
CC(C)[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(N)=O	95975064	OGMAHZHSCCFJLR-MRVPVSSYSA-N	272.692	1.565	5	40	CDBB	
CNc1c([N+](=O)[O-])c(=O)oc2ccc([N+](=O)[O-])cc12	5660038	JRSYOHLDZYTOJA-UHFFFAOYSA-N	265.181	1.651	5	40	CDBB	
CC(C)(C)c1nc(Cn2cc([N+](=O)[O-])ccc2=O)no1	31672670	SZCHNOCYNSBPHJ-UHFFFAOYSA-N	278.268	1.485	5	40	CDBB	
CC(C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	10320958	PILNLSMPOFEWAT-UHFFFAOYSA-N	267.237	1.931	5	40	CDBB	
Cc1cc(N2C[C@@H](CO)OC[C@H]2C)ccc1[N+](=O)[O-]	108111919	OPTFNILFDLBIRT-PWSUYJOCSA-N	266.297	1.489	5	40	CDBB	
Cc1nn(CC(=O)c2ccc([N+](=O)[O-])cc2)c(=N)s1	4475380	KKVAJZAPBONZJS-UHFFFAOYSA-N	278.293	1.524	5	40	CDBB	
COC[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1	18177933	OIYKKKUDCBPKLC-MRVPVSSYSA-N	253.258	1.751	5	40	CDBB	
CC[C@H](C(=O)O)n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	408716294	LCCUOGGZTIGDCD-RXMQYKEDSA-N	297.189	1.768	5	40	CDBB	
COc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cn1	78774711	IXIZWWBQHOETSF-HTQZYQBOSA-N	262.225	1.273	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	13476370	KQEVIRDFQKXDCH-FQPOAREZSA-N	284.271	1.906	5	40	CDBB	
Cc1c(C(=O)NC(C)C)nnn1-c1ccc([N+](=O)[O-])cc1	31806547	SPNNOYMSXJAQKJ-UHFFFAOYSA-N	289.295	1.622	5	40	CDBB	
Cc1c(NC(=O)[C@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-]	32816260	XTBFIVDAXFQWDM-VIFPVBQESA-N	277.280	1.320	5	40	CDBB	
Cc1nn(CCc2n[nH]c(=S)n2C)c(C)c1[N+](=O)[O-]	2573499	OPVWLDHFIXNUPV-UHFFFAOYSA-N	282.329	1.442	5	40	CDBB	
C[C@@]1(CO)CCC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-]	76061167	FUSOGUYXVOTUJU-OCCSQVGLSA-N	293.323	1.657	5	40	CDBB	
CN(Cc1cccn1C)C(=O)c1ccc(O)c([N+](=O)[O-])c1	97237104	YCCAUHBTEUHTQS-UHFFFAOYSA-N	289.291	1.911	5	40	CDBB	
C[C@H](O)[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)O	5721719	QJMPRIHAPGGFMA-IMTBSYHQSA-N	272.282	1.026	5	40	CDBB	
CCOc1c(NCc2ccc([N+](=O)[O-])cc2)c(=O)c1=O	100397016	KFAXQZAGDYPLQJ-UHFFFAOYSA-N	276.248	1.202	5	40	CDBB	
O=C(O)CCCNc1c([N+](=O)[O-])c(=O)oc2ccccc12	226795383	NBLACKDZCRBGPC-UHFFFAOYSA-N	292.247	1.978	5	40	CDBB	
CCC(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	10745257	PMTVDOUOACVNBU-MRVPVSSYSA-N	266.253	1.875	5	40	CDBB	
Cc1nn(CCC(=O)N2CCCC2)cc1[N+](=O)[O-]	2780918	ADSWOPLBXVMFNX-UHFFFAOYSA-N	252.274	1.112	5	40	CDBB	
C[C@@H]1C[C@@H](C)CN(c2ncnc(N)c2[N+](=O)[O-])C1	3912633	KWHPIJCZFLCOQH-HTQZYQBOSA-N	251.290	1.449	5	40	CDBB	
Cc1[nH]nc([N+](=O)[O-])c1I	34925474	ILMYFUHJLRTOGG-UHFFFAOYSA-N	252.999	1.231	5	40	CDBB	
Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)no1	96412425	QGAUJOWGNKZCRY-UHFFFAOYSA-N	276.252	1.525	5	40	CDBB	
CC1=NN(c2ccccc2)C(=O)[C@]12[C@H](C)[C@H]2[N+](=O)[O-]	248051310	SIWDEOAYYTUWNB-XTWCZFFVSA-N	259.265	1.691	5	40	CDBB	
CCC(=O)NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1	14257696	USGRFCJRZNFSRN-UHFFFAOYSA-N	283.309	1.826	5	40	CDBB	
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@]1(O)C(F)(F)F	4693864	YZRUAOYVUOZCDK-QMMMGPOBSA-N	278.142	1.177	5	40	CDBB	
CC(=O)N1CC[n+]2c(-c3cccc([N+](=O)[O-])c3)csc21	509397	BPVRWMABOLSYAW-UHFFFAOYSA-N	290.324	1.977	5	40	CDBB	
NC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	44556152	YYZLVRPRZFJYRO-JTQLQIEISA-N	299.352	1.097	5	40	CDBB	
CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	12914553	RKWVHBDYQXYPNI-UHFFFAOYSA-N	275.268	1.315	5	40	CDBB	
N=c1sccn1CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	7238923	HJUMWFMUJCMEKH-UHFFFAOYSA-N	296.283	1.715	5	40	CDBB	
C[C@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	79420972	YLFFAFXWQSIQDR-VIFPVBQESA-N	263.297	1.433	5	40	CDBB	
COCCCNc1ccc([N+](=O)[O-])cc1C(=O)OC	216940008	LWRLHQDBGAIWKB-UHFFFAOYSA-N	268.269	1.830	5	40	CDBB	
CCOC(=O)NC(=S)Nc1cn(C)cc1[N+](=O)[O-]	5828316	GJGMTKNJVGVZNG-UHFFFAOYSA-N	272.286	1.376	5	40	CDBB	
O=C(O)c1ccc(Cn2cc([N+](=O)[O-])cn2)s1	20312325	XKMAISRBBHCPRY-UHFFFAOYSA-N	253.239	1.599	5	40	CDBB	
CCCn1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1	568626	KWHFCLPNPFVJOW-UHFFFAOYSA-N	276.256	1.244	5	40	CDBB	
CCOC(=O)[C@]1(C)O[C@H]1c1ccc([N+](=O)[O-])cc1	1564169	KPBGEZBSAVNMJI-CMPLNLGQSA-N	251.238	1.988	5	40	CDBB	
O=C(COC(=O)c1ccco1)Nc1cccc([N+](=O)[O-])c1	3514655	MWCZJGMHXPRBLM-UHFFFAOYSA-N	290.231	1.983	5	40	CDBB	
O=[N+]([O-])c1cnn(Cc2nc3c4ccccc4ncn3n2)c1	2806555	NREPGUDJRYDKKB-UHFFFAOYSA-N	295.262	1.431	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)O	29247522	SCRHZRWKMFHZAZ-SSDOTTSWSA-N	254.242	1.174	5	40	CDBB	
NC(=O)C1CCN(c2ccc([N+](=O)[O-])s2)CC1	40555850	IAAYNOZMWSWOJN-UHFFFAOYSA-N	255.299	1.358	5	40	CDBB	
CC[C@H](C)NC(=S)NCCn1nc(C)c([N+](=O)[O-])c1C	2790677	WFRVSMZBCVWCPY-QMMMGPOBSA-N	299.400	1.671	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(OCC(=O)NCC(F)(F)F)c1	24542572	ZUQZONSXDOIPHK-UHFFFAOYSA-N	292.213	1.961	5	40	CDBB	
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(=O)(=O)O	1669672	KFHPDUJFQBXXQY-UHFFFAOYSA-N	262.199	1.058	5	40	CDBB	
CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	54566332	OFDQOCAHLLGWNI-AATRIKPKSA-N	275.308	1.382	5	40	CDBB	
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@H]2CC[C@H]1C2	108333270	JORZWOLOEVLWDV-AVGNSLFASA-N	292.335	1.819	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)CCC2	2753293	LFCKJRQHCKSKTC-UHFFFAOYSA-N	286.291	1.919	5	40	CDBB	
O=[N+]([O-])c1ccc(Sc2nccc(O)n2)nc1	408603370	GEDMVKWUTXDRAH-UHFFFAOYSA-N	250.239	1.637	5	40	CDBB	
O=C(O)c1nn(-c2cccc(Cl)c2)nc1[N+](=O)[O-]	89263371	NZKKCQHXZAHYCY-UHFFFAOYSA-N	268.616	1.527	5	40	CDBB	
CO[C@@H](C)c1nc(Cn2ccc(=O)c([N+](=O)[O-])c2)cs1	96467977	CTBHHPWJMNWVAZ-QMMMGPOBSA-N	295.320	1.969	5	40	CDBB	
COCC(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@@H]12	247663609	UYWJKUXCVQQSMS-KCQAQPDRSA-N	256.366	1.585	5	40	CDBB	biogenic,in-vitro
O=C(O)c1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	14982243	QFPZAEXSGILFAI-UHFFFAOYSA-N	291.013	1.964	5	40	CDBB	
COc1cc(N2CCN(C)CC2)c(F)cc1[N+](=O)[O-]	270491142	CVQDPTKKORHAJK-UHFFFAOYSA-N	269.276	1.494	5	40	CDBB	
CCn1c(=O)c2c(C)nc(N)nc2c2ccccc21	3847579	IEMGHVRYQGQWKM-UHFFFAOYSA-N	254.293	1.855	5	40	CDBB	
NCc1ccc(OCC(F)(F)F)c([N+](=O)[O-])c1	34960524	SMDKQNDCGNOVLS-UHFFFAOYSA-N	250.176	1.995	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])c(N2CCCC2)c([N+](=O)[O-])c1	26508715	OCVNATQWEQRPOI-UHFFFAOYSA-N	280.240	1.202	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1	29584524	GFCDLARXKZTGGM-UHFFFAOYSA-N	280.265	1.651	5	40	CDBB	
Cn1ncnc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-]	95966637	LBYCQDDFRIDWRB-UHFFFAOYSA-N	281.659	1.629	5	40	CDBB	
Cc1cnc(NCC2(CCO)CCOCC2)c([N+](=O)[O-])c1	74771702	HRRNMFCYYWUJRA-UHFFFAOYSA-N	295.339	1.889	5	40	CDBB	
C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nncn1C	32934668	JVFUYFITYWJSTR-QMMMGPOBSA-N	290.283	1.606	5	40	CDBB	
CN(C)C(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	3330385	PWJMYMBZIHZADO-VMPITWQZSA-N	278.264	1.239	5	40	CDBB	
O=C(NC[C@@H](O)c1ccsc1)c1ccc([N+](=O)[O-])o1	61975000	FJYRIMFCDVIVSK-MRVPVSSYSA-N	282.277	1.713	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C	3250858	LQUUSJPIOOSLKP-QMMMGPOBSA-N	267.285	1.492	5	40	CDBB	
CCCN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	409238776	LEQRUTOOZXZDGX-DHZHZOJOSA-N	275.264	1.898	5	40	CDBB	
CC(C)(O)CNC(=O)Nc1cccc([N+](=O)[O-])c1	65490260	VZBVDOUPWQDEMN-UHFFFAOYSA-N	253.258	1.487	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCOCC1	19805484	IHQBBXADHZRQHW-UHFFFAOYSA-N	279.296	1.174	5	40	CDBB	
COC[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	7377023	HDLJCATZZXXTHZ-SECBINFHSA-N	288.325	1.216	5	40	CDBB	
Cc1cc(NC(=O)NCC(C)(C)O)ccc1[N+](=O)[O-]	97163033	AWAULECLWHEGAG-UHFFFAOYSA-N	267.285	1.796	5	40	CDBB	
CN1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1	216782620	YCDQPHNNYBJLEN-JTQLQIEISA-N	263.297	1.875	5	40	CDBB	
O=[N+]([O-])c1cc(Cl)ccc1NCCn1cnnc1	45958812	IEKLBUWTVWDURD-UHFFFAOYSA-N	267.676	1.952	5	40	CDBB	
Cn1cc(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cn1	97965977	JYFIYVJMTOAPJS-UHFFFAOYSA-N	293.195	1.812	5	40	CDBB	
CC(C)(C)[C@H](NCc1cccc([N+](=O)[O-])c1)C(N)=O	96444989	LDKGRDCYJOHZQR-LLVKDONJSA-N	265.313	1.584	5	40	CDBB	
O=C1CN(c2ccc(F)cc2[N+](=O)[O-])CN1C1CC1	279093215	NXMGQDOXHQQSMA-UHFFFAOYSA-N	265.244	1.502	5	40	CDBB	
CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	77235857	ZLTAVUQCVJRQKB-GXSJLCMTSA-N	299.352	1.758	5	40	CDBB	
Cc1nccn1CCCNc1ncccc1[N+](=O)[O-]	78333314	USRLKNLDZIZRLD-UHFFFAOYSA-N	261.285	1.997	5	40	CDBB	
COc1ccc(CCNc2ncnc(N)c2[N+](=O)[O-])cc1	41154196	KEZBPJBCPAAKIL-UHFFFAOYSA-N	289.295	1.630	5	40	CDBB	
Cc1cccc(C(=O)O[C@H]2CCCNC2=O)c1[N+](=O)[O-]	95425605	VCDKCLRNUCKTFW-JTQLQIEISA-N	278.264	1.339	5	40	CDBB	
C[N+](C)(C)CCC[N+]1(C)C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1	104269239	KKHPAYCBXYKMHV-VGWMRTNUSA-N	250.430	1.981	5	40	CDBB	
CCCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O	409255626	ZFYAHRSWEWHMBS-JXMROGBWSA-N	291.263	1.603	5	40	CDBB	
Nc1ccc(C(=O)NCc2ccccn2)cc1[N+](=O)[O-]	4660479	MVRVASJXDKYCNK-UHFFFAOYSA-N	272.264	1.502	5	40	CDBB	
O=[N+]([O-])c1cc(Br)n(CC(F)F)n1	953061412	UQEJIAMIBHVYET-UHFFFAOYSA-N	256.006	1.819	5	40	CDBB	
C[C@@H](CO)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1	78495632	ZPSBDDIVTDAKQM-JTQLQIEISA-N	283.303	1.237	5	40	CDBB	
CN1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1	216782570	YCDQPHNNYBJLEN-SNVBAGLBSA-N	263.297	1.875	5	40	CDBB	
Cc1ccnc(N2CC[C@]3(CCOC3)C2)c1[N+](=O)[O-]	96462102	IXPBOTLJEOGYDS-ZDUSSCGKSA-N	263.297	1.915	5	40	CDBB	
N[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21	252585233	HEDFEIAKBWDXRK-ADEWGFFLSA-N	275.308	1.404	5	40	CDBB	
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	2565535	FXKIWRHGCSRWPT-UHFFFAOYSA-N	270.188	1.261	5	40	CDBB	
Cc1cc(C)n(C(=O)Cn2nc([N+](=O)[O-])cc2C)n1	1428842	IDRPYDSYVIHGOV-UHFFFAOYSA-N	263.257	1.253	5	40	CDBB	
O=C(CCCn1cc([N+](=O)[O-])cn1)N1CCCCC1	1432965	VJVXOQXGLLHNMV-UHFFFAOYSA-N	266.301	1.584	5	40	CDBB	
C[N+](C)(C)CC(C[N+](C)(C)C)OCc1ccccc1	501367	XGIVSJSMQGZZEO-UHFFFAOYSA-N	266.429	1.984	5	40	CDBB	
C[C@@H]([N+](=O)[O-])[C@@]1(O)C(=O)c2cccc3cccc1c23	1723088	MVCYOXRLSBOWQE-CLAHSXSESA-N	257.245	1.889	5	40	CDBB	
Cc1nc(Cl)nc(N2CCOCC2)c1[N+](=O)[O-]	4243434	WDWQNGZGGWUVEQ-UHFFFAOYSA-N	258.665	1.183	5	40	CDBB	
CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	12740409	TWAIZVZFSMJDNI-UHFFFAOYSA-N	287.275	1.555	5	40	CDBB	
Cc1ccccc1C(=O)NCCn1nc([N+](=O)[O-])cc1C	2796229	MUSMBVPSBPNGEB-UHFFFAOYSA-N	288.307	1.838	5	40	CDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1O	3886115	DOTJUZDQFHQQQX-UHFFFAOYSA-N	272.282	1.085	5	40	CDBB	
CC(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	6020138	ABYZSYDGJGVCHS-ZETCQYMHSA-N	251.242	1.058	5	40	CDBB	in-vitro
Cc1cc([N+](=O)[O-])ccc1NC(=O)NN1CCOCC1	17008210	GOCFQBYUFCRTDK-UHFFFAOYSA-N	280.284	1.272	5	40	CDBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](O)CO	82049775	XDHQHBSDKYPJRG-ZETCQYMHSA-N	280.202	1.379	5	40	CDBB	in-vitro
COc1cc([N+](=O)[O-])cc2c(CCN)c(C(=O)O)[nH]c12	77284	MUFOYZZAVBVCQA-UHFFFAOYSA-N	279.252	1.284	5	40	CDBB	
NC(=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	1616955	FLLULEVATOIQCT-UHFFFAOYSA-N	279.130	1.621	5	40	CDBB	
Cc1cc(S(=O)(=O)n2ccnc2)cc([N+](=O)[O-])c1C	10233826	PBQHXEMSYAOCKJ-UHFFFAOYSA-N	281.293	1.645	5	40	CDBB	
CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	58421738	UUHXUTZNZIYIDA-RKDXNWHRSA-N	252.274	1.143	5	40	CDBB	
CC(C)C[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1N	96489149	VEIQXUJZANGZID-SECBINFHSA-N	281.312	1.314	5	40	CDBB	
CCOC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(C)=O	19721288	BWHLPNOCAMQFBD-GFCCVEGCSA-N	280.280	1.205	5	40	CDBB	
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C)CC1	45886597	KPHWEOHELGHGEL-UHFFFAOYSA-N	280.284	1.563	5	40	CDBB	
O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](O)C1	61707439	YJUJDUWSEWOBAI-MRVPVSSYSA-N	287.113	1.928	5	40	CDBB	
C[C@@]1(CO)CCC[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-]	76061157	FUSOGUYXVOTUJU-JSGCOSHPSA-N	293.323	1.657	5	40	CDBB	
CCOC(=O)COc1cc([N+](=O)[O-])c(F)cc1F	14007444	UOVQPWRQZSZGDV-UHFFFAOYSA-N	261.180	1.815	5	40	CDBB	
O=C1C[C@@H](C(=O)O)[C@@H](c2cccc([N+](=O)[O-])c2)O1	1747146	QPJTYBKOUUEXKK-PSASIEDQSA-N	251.194	1.284	5	40	CDBB	
Cc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1[N+](=O)[O-]	7881370	QZPWLVYQQZPBKT-QMMMGPOBSA-N	264.237	1.341	5	40	CDBB	
C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1CO	97105168	VKPIKQNEVKIZGN-RNCFNFMXSA-N	293.323	1.410	5	40	CDBB	
CS(=O)(=O)CCSCc1cccc([N+](=O)[O-])c1	60512329	JTHCFXKLQQJOGR-UHFFFAOYSA-N	275.351	1.873	5	40	CDBB	
O=C(O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2	4218461	MCPJKEKUWWGPCL-OWOJBTEDSA-N	251.194	1.559	5	40	CDBB	
CNC(=O)CN(C)c1ccc([N+](=O)[O-])cc1Cl	7365336	BWXSAYSWKDDQAR-UHFFFAOYSA-N	257.677	1.430	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCS1	89764492	VFHYCOLMBIVCMB-SNVBAGLBSA-N	284.341	1.193	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1N1C[C@H](C(=O)O)CC1=O	45953518	YCFAKWUHDWDUND-MRVPVSSYSA-N	264.237	1.341	5	40	CDBB	
C[C@@H]1C[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1	95442698	NQRDQNYDNKOGAJ-BXKDBHETSA-N	263.297	1.845	5	40	CDBB	
CC[C@@H](C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	5002550	WYLHEQJILASWFR-ZETCQYMHSA-N	278.220	1.054	5	40	CDBB	
CCOC(=O)[C@@H]1Oc2ccc([N+](=O)[O-])cc2[C@]1(C)O	5813009	KBDXTNCJOUVONL-JQWIXIFHSA-N	267.237	1.126	5	40	CDBB	
CC[C@@H]1CCCCN1C(=O)Cn1nc([N+](=O)[O-])cc1C	343328	YDADEXDRJIFZIR-LLVKDONJSA-N	280.328	1.891	5	40	CDBB	
CCOC(=O)c1ccc(-n2nnc([N+](=O)[O-])c2C)cc1	1383823	UTHZJFWBNLEZPA-UHFFFAOYSA-N	276.252	1.661	5	40	CDBB	
O=C(OC[C@@H]1CCN(c2ccccc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-]	107065030	GOWHNEUOYWCWBS-XBFCOCLRSA-N	290.319	1.721	5	40	CDBB	
Cc1c(Cn2cnnc2[S@@](C)=O)cccc1[N+](=O)[O-]	71804162	VEHQIGHGBWJWAH-IBGZPJMESA-N	280.309	1.280	5	40	CDBB	
COc1ccc(CN(C)[C@@H]2CCOC2=O)cc1[N+](=O)[O-]	69323018	WRFFHPRQLKQKFM-SNVBAGLBSA-N	280.280	1.351	5	40	CDBB	
CN(C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	190867939	TZESQCJYNWNZOO-UHFFFAOYSA-N	265.269	1.339	5	40	CDBB	
NC(=O)c1nsc(-c2ccc([N+](=O)[O-])cc2)c1N	1584223	KDDAOCSYJUVIHH-UHFFFAOYSA-N	264.266	1.399	5	40	CDBB	
C[C@@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1	84640120	MTDCIOJZECGPFD-SNVBAGLBSA-N	293.323	1.624	5	40	CDBB	
CCN(CC)C(=O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1	58244469	ZANGHOHBBJWAFB-UHFFFAOYSA-N	293.323	1.122	5	40	CDBB	
CCC(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	5520503	UMDBOXPIKLKLDP-UHFFFAOYSA-N	282.252	1.495	5	40	CDBB	
CC1CCN(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1	95977951	UMFOPAMKYOTVQZ-UHFFFAOYSA-N	295.343	1.170	5	40	CDBB	
COc1ccc(-c2noc([C@@H]3C[C@@H]3[N+](=O)[O-])n2)cn1	78774706	IXIZWWBQHOETSF-SFYZADRCSA-N	262.225	1.273	5	40	CDBB	
C[C@](Cl)([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96520252	CVQBNIFMONIZQY-VHSXEESVSA-N	293.728	1.628	5	40	CDBB	
COc1ccc(NC(=O)CN(C)C)c([N+](=O)[O-])c1	14152880	AAPNFYTYDJNLEJ-UHFFFAOYSA-N	253.258	1.104	5	40	CDBB	
Cc1cc(NC(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-]	153853034	XDUPLHFMXYFRLT-UHFFFAOYSA-N	280.328	1.929	5	40	CDBB	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@@H]12	12480594	ZCYAUKIMNJXVPW-PWSUYJOCSA-N	278.264	1.057	5	40	CDBB	
COCCCNc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12	5561013	CCACTKCWRPWERS-UHFFFAOYSA-N	291.307	1.895	5	40	CDBB	
CC[C@H](CO)NC(=O)c1ccc(F)cc1[N+](=O)[O-]	97233220	RHJDGWOWSCSVSZ-MRVPVSSYSA-N	256.233	1.235	5	40	CDBB	
COCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-]	17301185	LBBUBIYSOLYHOL-UHFFFAOYSA-N	281.312	1.791	5	40	CDBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1	8278988	FHNIOFMJSMYNMT-NSHDSACASA-N	296.348	1.982	5	40	CDBB	
O=C1C=CC(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	3119397	DMLNDCQNBCAVPN-UHFFFAOYSA-N	252.613	1.678	5	40	CDBB	in-vitro
CCn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C)C1	2780281	WUWPXGSLZUFEAJ-SECBINFHSA-N	266.301	1.683	5	40	CDBB	
CC(C)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O	3881144	VBEHQASEEGNKET-LLVKDONJSA-N	295.295	1.375	5	40	CDBB	
Nc1ccc(C(=O)NC2=NCCS2)cc1[N+](=O)[O-]	12730589	WFUSWNWBVKLNDZ-UHFFFAOYSA-N	266.282	1.010	5	40	CDBB	
COC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	13396002	YUGMGDCKGOUDNO-AOOOYVTPSA-N	294.307	1.995	5	40	CDBB	
Nc1nccnc1C(=O)OCc1ccc([N+](=O)[O-])cc1	14059530	QUZJZBINZWYBCE-UHFFFAOYSA-N	274.236	1.324	5	40	CDBB	
CN1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O	74048281	URCQYWZEHZLAOQ-SECBINFHSA-N	277.280	1.402	5	40	CDBB	
C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)O	19505788	SKTHPROSYBVKPZ-HQZHTGGTSA-N	264.237	1.197	5	40	CDBB	
O=C(N[C@H]1CCSC1=O)c1ccccc1[N+](=O)[O-]	183085	WGCSFPFAKKJFDT-QMMMGPOBSA-N	266.278	1.357	5	40	CDBB	
O=C(O)C1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1	5749684	IMLJLBJMSKWFBQ-UHFFFAOYSA-N	292.251	1.432	5	40	CDBB	
COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC[C@@H]1CCCO1	37226504	BZJQHIABMUYYRN-QMMMGPOBSA-N	297.263	1.859	5	40	CDBB	in-vitro
COc1cc(N[C@H]2CCC(=O)N(C)C2)c(F)cc1[N+](=O)[O-]	95982718	YHBDENGFIMEUDK-QMMMGPOBSA-N	297.286	1.775	5	40	CDBB	
Cc1ccc(C(=O)NCCn2nc([N+](=O)[O-])cc2C)cc1	2796215	YTEZSDOHGNROLT-UHFFFAOYSA-N	288.307	1.838	5	40	CDBB	
C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1)CN1CCOCC1	95972044	YATHHFUSYTVYIP-CQSZACIVSA-N	295.339	1.090	5	40	CDBB	
CN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	97052051	IMLXAQDSLMXKOE-UHFFFAOYSA-N	286.719	1.931	5	40	CDBB	
CCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C12CCC2	96424087	KUCJPEXVTMLFRA-UWVGGRQHSA-N	293.327	1.727	5	40	CDBB	
Cc1cc(Cl)c([N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1	252506344	VZTIKSSIZXVLOY-QMMMGPOBSA-N	272.688	1.897	5	40	CDBB	
CC(C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	15206765	NTBIOHOPCXIVNL-UHFFFAOYSA-N	287.341	1.700	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)C(F)(F)F	6884693	KEBPUJYVEYARGZ-UHFFFAOYSA-N	255.173	1.888	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	3897616	SHPJSIUHFNHXFW-FQPOAREZSA-N	284.271	1.906	5	40	CDBB	
CCN(CC)c1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4014002	AEXNOAJCLJXOTG-UHFFFAOYSA-N	282.256	1.448	5	40	CDBB	
C[C@H]1C[C@H]1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1	10890391	NFFXIVXSFWSMCM-JOYOIKCWSA-N	292.291	1.757	5	40	CDBB	
CCCc1nnnn1-c1cc([N+](=O)[O-])ccc1OC	6779317	YHSZPWYDEXRQGQ-UHFFFAOYSA-N	263.257	1.532	5	40	CDBB	
COC[C@H](C)NC(=O)Nc1ccccc1[N+](=O)[O-]	24234774	GUFSGBDJXQRHDM-QMMMGPOBSA-N	253.258	1.751	5	40	CDBB	
CN(CC(N)=O)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1	90071152	OHBGXNNUDDTTCF-UHFFFAOYSA-N	286.291	1.578	5	40	CDBB	
Cc1cc(C)c(CNc2ccc([N+](=O)[O-])cn2)c(=O)[nH]1	70792298	DXPYUXVJISBDKW-UHFFFAOYSA-N	274.280	1.907	5	40	CDBB	
Cc1[nH]nc(C(=O)N(C)Cc2ccccn2)c1[N+](=O)[O-]	72278817	WUMCAODQINARDF-UHFFFAOYSA-N	275.268	1.294	5	40	CDBB	
COC(=O)[C@](C)(O)CNc1ccc(F)cc1[N+](=O)[O-]	97146542	PCMUZOGMNOCCRJ-LLVKDONJSA-N	272.232	1.070	5	40	CDBB	
C[C@H](CO)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1	89901488	WWUZZPYENJNGJS-MRVPVSSYSA-N	253.258	1.439	5	40	CDBB	
COC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	95347997	GOMLMDOWFDPAAJ-JTQLQIEISA-N	250.210	1.261	5	40	CDBB	
CS(=O)(=O)CC1(CNc2ncccc2[N+](=O)[O-])CC1	96449467	LHKGOCPXEVVVMM-UHFFFAOYSA-N	285.325	1.227	5	40	CDBB	
CCS(=O)(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	96510167	VGKMGOIJEMBPNT-MNOVXSKESA-N	255.295	1.885	5	40	CDBB	
CCOC(=O)c1ccoc1C[N+]1(C)CCOCC1	3066119	CZYUCBXXWRFUMN-UHFFFAOYSA-N	254.306	1.433	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(C)=O	3234132	RRCFKXUANYDNBQ-UHFFFAOYSA-N	268.225	1.105	5	40	CDBB	
O=C1NCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F	49491178	XCBFQEONDDMZAV-SNVBAGLBSA-N	253.233	1.424	5	40	CDBB	
C[C@@H](SC[C@@H](O)CO)c1cccc([N+](=O)[O-])c1	95407576	DJPFJEDLYNVTKB-KCJUWKMLSA-N	257.311	1.742	5	40	CDBB	
NS(=O)(=O)c1cccc([N+](=O)[O-])c1C(F)(F)F	575339246	CEWXVACUHQVNDC-UHFFFAOYSA-N	270.188	1.261	5	40	CDBB	
CC(=O)NCCOc1ccc([N+](=O)[O-])cc1Cl	1750805	SZBZREXWXLEVTH-UHFFFAOYSA-N	258.661	1.763	5	40	CDBB	
Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1C	2796344	ASFIDPZYJPBZIS-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
Cn1cnnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	2534492	HMMQDNJUMOTACP-UHFFFAOYSA-N	293.308	1.454	5	40	CDBB	
CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1	58434925	QKZLNIXEDGXHOQ-JTQLQIEISA-N	269.276	1.476	5	40	CDBB	
Cc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)s1	13607997	IMWGDILRENNQCI-SNAWJCMRSA-N	279.277	1.924	5	40	CDBB	
COc1cc(CN[C@@H](C)Cn2cccn2)ccc1[N+](=O)[O-]	95462190	ZXJQWCJNXVXWEO-NSHDSACASA-N	290.323	1.978	5	40	CDBB	
CCN(CC)C(=O)[C@@H]1CCCN1c1ccncc1[N+](=O)[O-]	79089735	AORUFAITHNNDTO-LBPRGKRZSA-N	292.339	1.827	5	40	CDBB	
CCc1ccc(C(=O)NCC[C@H](C)O)cc1[N+](=O)[O-]	76093469	AQHRHBAAADVIEY-VIFPVBQESA-N	266.297	1.658	5	40	CDBB	
COc1cc(/C=C2/CCOC2=O)c([N+](=O)[O-])cc1OC	17379484	VQQQXNNQIYCWKZ-YVMONPNESA-N	279.248	1.942	5	40	CDBB	
Cc1nnc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)o1	4184248	LTXMSBGEUWOIOH-UHFFFAOYSA-N	290.279	1.790	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2nc(Cn3cncn3)n[nH]2)c1	40174609	SQGYRQRNTZPCFQ-UHFFFAOYSA-N	271.240	1.020	5	40	CDBB	
O=c1nc(Nc2ccc([N+](=O)[O-])cn2)[nH]c2ccccc12	57530843	NSQRUJIYOYQUAD-UHFFFAOYSA-N	283.247	1.970	5	40	CDBB	
NC(=O)Cn1cc(Nc2ccc(F)cc2[N+](=O)[O-])cn1	48836654	IHVRSHXWCYHOIA-UHFFFAOYSA-N	279.231	1.159	5	40	CDBB	
COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2)N=C1C(C)=O	4860387	ZFVKTTBERGDBCI-NSHDSACASA-N	291.263	1.149	5	40	CDBB	
O=C1NC2(CCCC2)N[C@@H]1c1cccc([N+](=O)[O-])c1	90661481	ACBKBQUCKPPXCF-LLVKDONJSA-N	261.281	1.626	5	40	CDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)C(F)F)c1F	604221641	MVTUMFLXKMGOIT-UHFFFAOYSA-N	255.173	1.730	5	40	CDBB	
CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CCCCC1	46265681	IBMODIZCNCQIDJ-ZJUUUORDSA-N	284.312	1.034	5	40	CDBB	
Cc1occc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	24151831	DSFZZJWZTIDGES-CYBMUJFWSA-N	290.275	1.960	5	40	CDBB	
CNC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O	8411907	XYIPPZXSLQHGJN-UHFFFAOYSA-N	278.220	1.069	5	40	CDBB	
Nc1ccc(C(=O)OCc2cncs2)cc1[N+](=O)[O-]	97138944	PXIPVVQBDCYRAX-UHFFFAOYSA-N	279.277	1.991	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1Nc1ccc2[nH]ncc2c1	72303130	XZCZTYZNFKTFMZ-UHFFFAOYSA-N	258.241	1.948	5	40	CDBB	
CSC[C@H](CCO)Nc1nc2ccccn2c1[N+](=O)[O-]	77236782	GFOJRTVJFPIHIX-VIFPVBQESA-N	296.352	1.768	5	40	CDBB	
O=C1NCc2c(Br)ccc([N+](=O)[O-])c21	89211356	WQYRRWFXNSLCHC-UHFFFAOYSA-N	257.043	1.601	5	40	CDBB	
Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	5589009	VJXSVPCZZBAPLC-UHFFFAOYSA-N	285.325	1.352	5	40	CDBB	
N=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2O)S1	5005541	BGQSPOWRXISVCB-QPJJXVBHSA-N	265.250	1.439	5	40	CDBB	
COC(=O)c1cc(NC(C)=O)c([N+](=O)[O-])cc1C	165429689	NCLVHDOKUICTIX-UHFFFAOYSA-N	252.226	1.648	5	40	CDBB	
COCCn1c(C)nc2c(c(=O)c3ccccc3n2C)c1=O	2203187	VEEJPELIVYNNGU-UHFFFAOYSA-N	299.330	1.203	5	40	CDBB	
C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C(=O)NC1CCCC1	49322194	FENGNBRSKJQBDG-MRVPVSSYSA-N	281.316	1.188	5	40	CDBB	
CCCn1nnnc1COc1ccc(C)cc1[N+](=O)[O-]	9335983	DLKLJYYBIODOPW-UHFFFAOYSA-N	277.284	1.879	5	40	CDBB	
COc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-]	17007491	SPVQEESKQMTLDN-UHFFFAOYSA-N	276.252	1.257	5	40	CDBB	
O=C(c1cc([N+](=O)[O-])ccc1CO)N1CCCC1	72209227	KUWKVPFBVGTSEL-UHFFFAOYSA-N	250.254	1.323	5	40	CDBB	
CCN1CCO[C@H](COc2ccccc2[N+](=O)[O-])C1	217500714	IQHSPEVPUFNAPL-NSHDSACASA-N	266.297	1.694	5	40	CDBB	
C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96517983	LZJMVUJMWTUZPV-ZETCQYMHSA-N	257.267	1.211	5	40	CDBB	
COC(=O)C(C)(C)NC(=O)Cc1cccc([N+](=O)[O-])c1C	161325095	YXWBECPSKNIGGH-UHFFFAOYSA-N	294.307	1.514	5	40	CDBB	
O=[N+]([O-])c1ccccc1N1CCC2(CC1)OCCO2	26705063	GAPAGEMRGDMNGC-UHFFFAOYSA-N	264.281	1.938	5	40	CDBB	
Cc1cc(N[C@H](C(N)=O)C(C)C)ccc1[N+](=O)[O-]	92685104	DYIQPVAFJMMRDA-NSHDSACASA-N	251.286	1.825	5	40	CDBB	
CCCN(CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1	84755215	YVYVWSVDYBINQI-UHFFFAOYSA-N	279.340	1.879	5	40	CDBB	
Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)on1	32788871	PSCYPXRHAOMBNE-UHFFFAOYSA-N	277.236	1.909	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1	70462280	DTNLWECNSJOMLY-UHFFFAOYSA-N	252.255	1.873	5	40	CDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	2771757	ARNQGGVJMQDMBG-GZMMTYOYSA-N	299.670	1.845	5	40	CDBB	
CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	3161153	SVWNNDAEOYLIHJ-UHFFFAOYSA-N	259.605	1.516	5	40	CDBB	
COc1ccc([C@@H](CC(=O)O)C[N+](=O)[O-])cc1OC	57556810	BCFJACPTXUWXJU-VIFPVBQESA-N	269.253	1.539	5	40	CDBB	
NN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	1512866	PRYNAPNTIQGRGK-UHFFFAOYSA-N	257.205	1.218	5	40	CDBB	
CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	48805972	RFVGVTONLPNIGA-WCBMZHEXSA-N	297.698	1.303	5	40	CDBB	
CC(=O)N[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C	5704484	GBRJHGFLXATKRE-GFCCVEGCSA-N	279.296	1.694	5	40	CDBB	
Cc1noc([C@H](C)SCCn2cc([N+](=O)[O-])cn2)n1	95430825	PAYRYBTZUDUBTN-ZETCQYMHSA-N	283.313	1.977	5	40	CDBB	
O=C1OCC[C@@H]1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	16978719	PZFHAKTZAUGWRF-ZDUSSCGKSA-N	291.307	1.032	5	40	CDBB	
CNC(=O)[C@H](C)OC(=O)c1cc(SC)ccc1[N+](=O)[O-]	31333090	ALWNIPJNNSQMIH-ZETCQYMHSA-N	298.320	1.608	5	40	CDBB	
C[C@]1(NCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1	35047796	MHXABWHZUNMEOR-LBPRGKRZSA-N	284.337	1.262	5	40	CDBB	
O=C1CC2(CCNCC2)Oc2c1cccc2[N+](=O)[O-]	228962760	DVZWZZTVHJZKEZ-UHFFFAOYSA-N	262.265	1.682	5	40	CDBB	
CCCn1cc([N+](=O)[O-])c(I)n1	675031525	LUFACEBLPWCXLA-UHFFFAOYSA-N	281.053	1.806	5	40	CDBB	
O=C(COc1cccnc1[N+](=O)[O-])NC1CCCC1	5971560	HEGKYJVAIGEJFF-UHFFFAOYSA-N	265.269	1.427	5	40	CDBB	
O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCO1	115654	MNMRONZETGMRTD-JTQLQIEISA-N	280.280	1.269	5	40	CDBB	
C[C@@H](C(=O)N1CCc2ccccc21)n1cc([N+](=O)[O-])cn1	4686641	YSOPVOATGGGBML-JTQLQIEISA-N	286.291	1.942	5	40	CDBB	
O=[N+]([O-])c1ccccc1CN1CCC[C@@H](CO)C1	23114876	UDGNNSUSQFPLEM-LLVKDONJSA-N	250.298	1.799	5	40	CDBB	
CC(C)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1	12778070	XKRQDJIZTBDBJG-UHFFFAOYSA-N	292.339	1.685	5	40	CDBB	
C[C@@H]1C[C@@H]1C(=O)NC[C@H](O)COc1ccc([N+](=O)[O-])cc1	58162308	ILAHTDREINJOAK-CDMKHQONSA-N	294.307	1.107	5	40	CDBB	
O=[N+]([O-])c1cnccc1N1CC[C@H](CN2CCOCC2)C1	78404006	SCNOIQSXRVLXMU-GFCCVEGCSA-N	292.339	1.148	5	40	CDBB	
CN1CCO[C@@H](COc2cccc([N+](=O)[O-])c2)C1	217501985	SIUDHGMVYVCUOC-GFCCVEGCSA-N	252.270	1.304	5	40	CDBB	
O=[N+]([O-])C[C@@](O)(c1cccnc1F)C(F)(F)F	34883589	CUZCOIIHDQAOAT-SSDOTTSWSA-N	254.139	1.247	5	40	CDBB	
O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCCC[C@@H]2CO)c1	195570189	JFIGOTMBFRJSAJ-BPLDGKMQSA-N	294.351	1.769	5	40	CDBB	
O=C1C[C@@H](C(=O)O)[C@@H](c2ccc([N+](=O)[O-])cc2)O1	85394875	XKPHQFZUQWQCRO-PSASIEDQSA-N	251.194	1.284	5	40	CDBB	
C/C(=C\S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	35181301	HCBZZRVBIVEINA-VOTSOKGWSA-N	271.250	1.357	5	40	CDBB	
CCOCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1685334	SCXGAVJIYIXEAJ-UHFFFAOYSA-N	284.224	1.696	5	40	CDBB	
CCOC(=O)CNCCC(=O)c1ccc([N+](=O)[O-])cc1	1718693	GWTQJUXLPBLSQH-UHFFFAOYSA-N	280.280	1.320	5	40	CDBB	
O=C(O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc([N+](=O)[O-])cc2)N1	11919894	MGZNHWUKOICZHV-QWRGUYRKSA-N	288.263	1.006	5	40	CDBB	
COC(=O)c1ccc(C[N+]23CCN(CC2)CC3)cc1	6657786	DSLCYHDPVSZKKZ-UHFFFAOYSA-N	261.345	1.119	5	40	CDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)O)c2)C[C@@H](C)O1	15443604	VWTUGTCIUKZKLA-DTORHVGOSA-N	280.280	1.907	5	40	CDBB	
O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@@H](O)CO	84562519	WNWUQYBNOBNMDI-ZDUSSCGKSA-N	289.287	1.994	5	40	CDBB	
COCCNC(=S)Nc1ccc([N+](=O)[O-])cc1OC	13792904	YREDSOYBYUFZQW-UHFFFAOYSA-N	285.325	1.536	5	40	CDBB	
C[C@H]1CN=C(NC(=O)c2cccc([N+](=O)[O-])c2)S1	287896	ABXKIZOXAIJTAX-ZETCQYMHSA-N	265.294	1.816	5	40	CDBB	
Cn1c(Br)nc([N+](=O)[O-])c1Br	1425223	FSCRRFRTVWFYRY-UHFFFAOYSA-N	284.895	1.853	5	40	CDBB	
NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccncc1[N+](=O)[O-]	106836347	LAOKBYFBBFJDKS-SCVCMEIPSA-N	290.323	1.613	5	40	CDBB	
O=C(O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	3884755	WGMPZJMJSBSASH-QMMMGPOBSA-N	295.251	1.804	5	40	CDBB	
C[C@@H]1C[C@@H](C)CN(c2nc(N(C)C)nc(N)c2[N+](=O)[O-])C1	5164813	XKRLQCGPIQTZSF-RKDXNWHRSA-N	294.359	1.515	5	40	CDBB	
CCc1nnc(Sc2ccc([N+](=O)[O-])cc2)n1N	70462260	HEOHLDKLMSATMM-UHFFFAOYSA-N	265.298	1.614	5	40	CDBB	
Cc1ccn(Cc2c(C)noc2C)c(=O)c1[N+](=O)[O-]	96472062	XSRVVCJCAOSPIB-UHFFFAOYSA-N	263.253	1.718	5	40	CDBB	
Cn1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	5753642	GHJSQDFSEVVTAN-UHFFFAOYSA-N	282.647	1.024	5	40	CDBB	
CC(CO)(CO)Nc1ccc([N+](=O)[O-])c2cccnc12	59463897	QQRQVDOSNFVESW-UHFFFAOYSA-N	277.280	1.298	5	40	CDBB	
Cc1csc([C@@](O)(C[N+](=O)[O-])C(F)(F)F)n1	40556071	BUJZSYUUNBSOKS-LURJTMIESA-N	256.205	1.478	5	40	CDBB	
C[C@@H](O)CNc1c([N+](=O)[O-])c(=O)oc2ccccc12	4348876	CKMIWVQLBJASPC-SSDOTTSWSA-N	264.237	1.494	5	40	CDBB	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1	11034863	ZIZFJJDPQAQGPY-SNVBAGLBSA-N	280.280	1.221	5	40	CDBB	
NS(=O)(=O)c1cccc(NC2CC=CC2)c1[N+](=O)[O-]	97376204	AOIOZKNBFCGIMY-UHFFFAOYSA-N	283.309	1.373	5	40	CDBB	
Cc1nn(C)c(NC[C@H](C)N2CCOC[C@H]2C)c1[N+](=O)[O-]	245344198	YAMKWBNXDRIVPK-VHSXEESVSA-N	297.359	1.158	5	40	CDBB	
C[C@H](NC[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	90850140	IUCOROLDKWZBSJ-GXFFZTMASA-N	266.297	1.397	5	40	CDBB	
COC(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1	9338485	KOGCKLVNSRDIQA-JTQLQIEISA-N	280.280	1.972	5	40	CDBB	
CC(C)C(=O)N1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1	26716952	BBSODMXZMWCZHJ-UHFFFAOYSA-N	295.343	1.387	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	3886315	MRCONLVSTRNJQT-UHFFFAOYSA-N	252.226	1.130	5	40	CDBB	
COC(=O)c1cnn(-c2ccc(F)cc2[N+](=O)[O-])c1	12398201	FINZHLWDEJMKBG-UHFFFAOYSA-N	265.200	1.706	5	40	CDBB	
O=[N+]([O-])c1ccccc1N1CCC[C@H]1CN1CCOCC1	160408000	VSNSTWSGSVUNDX-ZDUSSCGKSA-N	291.351	1.896	5	40	CDBB	
C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1C[C@H]2CC[C@H]1C2	102592984	GRISJYFIOPYNHE-XWLWVQCSSA-N	292.339	1.883	5	40	CDBB	
O=[N+]([O-])c1cnn(COc2ccc3c(c2)OCO3)c1	22637853	DMEURQORTMQESN-UHFFFAOYSA-N	263.209	1.557	5	40	CDBB	
C[S@](=O)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1	78265693	WJIKJYISWGHHEW-LJQANCHMSA-N	294.279	1.987	5	40	CDBB	
O=[N+]([O-])c1ccc(-n2nc3ccc4c(no[n+]4[O-])c3n2)cc1	1643220	UPAMUXWAWYUUJZ-UHFFFAOYSA-N	298.218	1.103	5	40	CDBB	
COC(=O)c1cc(N2CCC[C@H](CO)C2)ccc1[N+](=O)[O-]	29248942	KCANTDHKSCIFEU-JTQLQIEISA-N	294.307	1.590	5	40	CDBB	
CC1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1	2782507	AZYZSGFIRDCESY-UHFFFAOYSA-N	266.301	1.637	5	40	CDBB	
CCC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1	75135220	QQFOURIPHQJVFV-UHFFFAOYSA-N	294.307	1.678	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(Oc2ccc(C(=O)O)cc2)n1	95098562	OJQONFWSGXETFI-UHFFFAOYSA-N	263.209	1.819	5	40	CDBB	
CC[C@@H]([C@@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	96519558	FBZARXJSNMVVIV-RYUDHWBXSA-N	287.337	1.842	5	40	CDBB	
Cc1cnc([C@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)o1	95466025	ZAIZYTWKQZYAMD-LURJTMIESA-N	264.245	1.437	5	40	CDBB	
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](O)C1	33040243	PQWGTNGDOZCMIA-ZWNOBZJWSA-N	293.323	1.379	5	40	CDBB	
Cc1nn(C)c(C)c1OC(=O)CCn1cc([N+](=O)[O-])cn1	78875558	KTRSKDDNYKOBMK-UHFFFAOYSA-N	293.283	1.137	5	40	CDBB	
O=[N+]([O-])c1cc(I)c(O)c(CO)c1	8727973	YWUXHAJOTCDTEM-UHFFFAOYSA-N	295.032	1.397	5	40	CDBB	
CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)N1CCOCC1	58432256	DOCMHBNOPQLUHD-CYBMUJFWSA-N	294.355	1.759	5	40	CDBB	
O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@@H]1[N+](=O)[O-]	47298426	JTCYRMUNVAIOFA-FSPLSTOPSA-N	253.283	1.236	5	40	CDBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(Nc2ccccc2)n1	4306295	LYFSKLMPZNTFAF-UHFFFAOYSA-N	274.284	1.777	5	40	CDBB	
CC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCOCC1	4954501	VSZZQJDBWYYLOE-UHFFFAOYSA-N	265.269	1.390	5	40	CDBB	
Cc1ccc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1	95408848	AOBLBKLTBDIUIO-UHFFFAOYSA-N	277.284	1.359	5	40	CDBB	
Cn1cc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cn1	69617664	FMQAARJYJHBIGJ-UHFFFAOYSA-N	274.236	1.285	5	40	CDBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCC1OCCO1	95945144	VVXDHZFMRNJJSL-ZZXKWVIFSA-N	293.275	1.914	5	40	CDBB	
CC(C)[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)O	35390930	ZHMPSIDVIAGXMK-LLVKDONJSA-N	252.270	1.794	5	40	CDBB	
N=c1[nH]nc(-c2cn(C3CCCC3)nc2[N+](=O)[O-])s1	408717870	YNQGZVYXSBTLMH-UHFFFAOYSA-N	280.313	1.837	5	40	CDBB	
CN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])c(O)c1	63095244	XQQYTEJCXWOAJN-UHFFFAOYSA-N	287.275	1.968	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CCS(=O)(=O)c1ccccc1	195562216	UMAOQDKCEVBPKS-UHFFFAOYSA-N	295.320	1.574	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC1	10327983	XVXKVPJMQFVTQN-UHFFFAOYSA-N	263.253	1.120	5	40	CDBB	
NC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1	40812324	YCAFMCMKNHYQFE-UHFFFAOYSA-N	299.286	1.875	5	40	CDBB	
C[N+]1(CC[N+]2(C)C[C@@H]3CCCC[C@H]3C2)CCOCC1	1673469	GOEILDQCJFKQRD-HOTGVXAUSA-N	268.445	1.730	5	40	CDBB	
O=[N+]([O-])c1ccsc1NC[C@@H]1CN2CCC[C@H]2CO1	108329609	DYMYCDDBKOLASH-VHSXEESVSA-N	283.353	1.931	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)O	2536939	BIOOMQZEIOGAFN-UHFFFAOYSA-N	261.237	1.846	5	40	CDBB	
C[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)NC1CCCC1	49322149	OBJIWKKELYKMPM-VIFPVBQESA-N	278.312	1.849	5	40	CDBB	
Cc1cc[nH]/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	5331142	LYNOUFMNFAQQOH-UHFFFAOYSA-N	293.304	1.521	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C	14401904	JELKOJXTVHYEMN-UHFFFAOYSA-N	258.299	1.590	5	40	CDBB	
CCCN1C(=O)N/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O	409238916	OJKRVZPOJFHDPQ-JXMROGBWSA-N	291.263	1.603	5	40	CDBB	
CON(C)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1	25588689	AGYDBZJYVSUBLN-UHFFFAOYSA-N	253.258	1.294	5	40	CDBB	
O=c1[nH]nc(CCCNc2ccc([N+](=O)[O-])cc2F)[nH]1	76093005	PLLVISIPCIYUGW-UHFFFAOYSA-N	281.247	1.190	5	40	CDBB	
Cc1ccnc(NC[C@@H](O)CN2CCCCC2)c1[N+](=O)[O-]	115515921	PLRVYEYYQYNZJO-GFCCVEGCSA-N	294.355	1.557	5	40	CDBB	
COc1cc(N2CCC[C@H](CO)C2)ccc1[N+](=O)[O-]	91355783	KLZBHGIOBJSYKD-JTQLQIEISA-N	266.297	1.812	5	40	CDBB	
CC1(C)C[C@@H](NCCn2ccc([N+](=O)[O-])n2)C(C)(C)O1	97103295	XVKCUSSMMIZKBG-SNVBAGLBSA-N	282.344	1.727	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2nnn(CCc3ccncc3)n2)c1	96424972	VSMUOYMNVWUFOZ-UHFFFAOYSA-N	296.290	1.886	5	40	CDBB	
CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1	69521206	WBBNGDYUFNDJAM-UHFFFAOYSA-N	253.233	1.551	5	40	CDBB	
COc1cccc(N2C[C@H](O)C(C)(C)C2)c1[N+](=O)[O-]	279344889	FBDAIHXGWVAGPP-NSHDSACASA-N	266.297	1.811	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C(=O)O	40546110	CHGNZZMBMWEDSP-NSHDSACASA-N	293.279	1.984	5	40	CDBB	
CCn1c(=O)c2c(cnn2C)c2cc([N+](=O)[O-])ccc21	256179	PURRDTMUOSQYMK-UHFFFAOYSA-N	272.264	1.816	5	40	CDBB	
N=C1N=C(N)N=C(O)/C1=C/c1ccccc1[N+](=O)[O-]	6513694	LYWADTJFCOIMQC-FNORWQNLSA-N	259.225	1.240	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncccc1O	24983952	ZYCGOYDGVJMQPL-UHFFFAOYSA-N	273.248	1.877	5	40	CDBB	
CCCNC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	3389928	CJOGZPVMFWNRGI-VMPITWQZSA-N	292.291	1.677	5	40	CDBB	
O=C(O)c1ccc(Cn2ccc([N+](=O)[O-])n2)s1	12357620	YMBYQKLENUMWGB-UHFFFAOYSA-N	253.239	1.599	5	40	CDBB	
CCOC(=O)c1nc(-c2cccc([N+](=O)[O-])c2)no1	12396778	BOJQEKYNRDLEAN-UHFFFAOYSA-N	263.209	1.822	5	40	CDBB	
CC1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	6119995	HEXOTYPMHQIYDB-UHFFFAOYSA-N	293.323	1.451	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCOCC2)s1	66001186	YHYOOQSMBWFNQN-UHFFFAOYSA-N	292.338	1.114	5	40	CDBB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N(C)C	6992505	TVAIQALJQKDVHS-ZCFIWIBFSA-N	272.282	1.290	5	40	CDBB	
C[C@@H](C(=O)O)n1nc([N+](=O)[O-])cc1C(F)(F)F	35655545	AMXSCKYCGJVYMH-VKHMYHEASA-N	253.136	1.456	5	40	CDBB	
COc1cc(C=O)ccc1Oc1nn(C)cc1[N+](=O)[O-]	95098565	DGVSTQKQTBHQKJ-UHFFFAOYSA-N	277.236	1.942	5	40	CDBB	
COc1cccc(CCCn2cnc([N+](=O)[O-])n2)c1	96422218	RDGMRBITOQZDCH-UHFFFAOYSA-N	262.269	1.828	5	40	CDBB	
CCOC(=O)[C@H]1CS[C@H](c2cccc([N+](=O)[O-])c2)N1	98072831	WEOYSEACMSRQOC-GHMZBOCLSA-N	282.321	1.862	5	40	CDBB	
Cc1ccc[nH]/c1=N\S(=O)(=O)c1ccc([N+](=O)[O-])cc1	5260217	PKMZZCBVHNMTDU-UHFFFAOYSA-N	293.304	1.521	5	40	CDBB	
O=c1oc2ccccc2c2nc(N3CCOCC3)ncc12	4784951	SSXRSVUXVUHKTM-UHFFFAOYSA-N	283.287	1.573	5	40	CDBB	
O=C(O)CCc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2	3845234	NCDDBJLLVVGJOA-UHFFFAOYSA-N	264.237	1.497	5	40	CDBB	
O=C(O)[C@H]1CS[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	6219601	DVGHWKMKBVJDGU-LHLIQPBNSA-N	298.276	1.112	5	40	CDBB	
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1csnn1	89421025	KNARAQZXPWCVGR-UHFFFAOYSA-N	290.264	1.575	5	40	CDBB	
CCCCN(C)S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	79307851	SIPKJDWAYSBWAN-UHFFFAOYSA-N	287.341	1.983	5	40	CDBB	
Cc1cnc(COC(=O)c2ccnn2C)c(C)c1[N+](=O)[O-]	191399506	OFRVSRRUZNYYIL-UHFFFAOYSA-N	290.279	1.697	5	40	CDBB	
CN(C)C(=O)CSCc1cccc([N+](=O)[O-])c1	340188120	FOMHKLJVVGLMQO-UHFFFAOYSA-N	254.311	1.916	5	40	CDBB	
COC(=O)c1c(C)n(C)c2ccc([N+](=O)[O-])cc2c1=O	255188693	KWZNCJJKUWUNAS-UHFFFAOYSA-N	276.248	1.542	5	40	CDBB	
CNc1c(C)c(OC)c([N+](=O)[O-])c(C(=O)OC)c1[N+](=O)[O-]	5360548	DPFIPTZHXWPBPX-UHFFFAOYSA-N	299.239	1.648	5	40	CDBB	
Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])no1	44474431	YJHTVTUIEYONOW-MIMYLULJSA-N	265.269	1.312	5	40	CDBB	
NC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	44556158	JUMYMFSJTQHOLC-NSHDSACASA-N	299.352	1.097	5	40	CDBB	
NS(=O)(=O)CC1CCN(c2ccccc2[N+](=O)[O-])CC1	71899617	GRYBRBVRCHZOOZ-UHFFFAOYSA-N	299.352	1.100	5	40	CDBB	
Cc1nnc(CSc2ncccc2[N+](=O)[O-])o1	95955053	JYNGNEMAYAHWOW-UHFFFAOYSA-N	252.255	1.974	5	40	CDBB	
COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1N	71978693	GNZINTOBYNFKMF-UHFFFAOYSA-N	262.225	1.149	5	40	CDBB	
NC(=O)c1cc(Cl)c(N2CCCC2)c([N+](=O)[O-])c1	70462636	TUGUGCRTZVRUFW-UHFFFAOYSA-N	269.688	1.947	5	40	CDBB	
Cn1cncc1CCNc1nc2sccn2c1[N+](=O)[O-]	97108376	DTSKXLLJAARGSQ-UHFFFAOYSA-N	292.324	1.692	5	40	CDBB	
O=C(CN1CCCCCC1)Nc1ncc([N+](=O)[O-])s1	16806094	JJMGVGFBYBGTFY-UHFFFAOYSA-N	284.341	1.866	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CO)C1	12776722	XJYSHNPGMYKNTD-SNVBAGLBSA-N	279.296	1.831	5	40	CDBB	
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccnc1	36047019	RGAZWCGMJBFXHZ-UHFFFAOYSA-N	259.221	1.948	5	40	CDBB	
COC(=O)N(C)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	41614341	YWDQGAUMDBVRCD-UHFFFAOYSA-N	281.268	1.540	5	40	CDBB	
CCOC(=O)[C@H]1Oc2ccc([N+](=O)[O-])c3c2[C@@]1(O)CCC3	1617857	AIZMJZINKYFYRF-OCCSQVGLSA-N	293.275	1.443	5	40	CDBB	
COC(=O)c1c(C(OC)OC)cccc1[N+](=O)[O-]	1683853	BSKHVJRXAKPXRE-UHFFFAOYSA-N	255.226	1.673	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnsn1	1790879	YMDWKEZYZGACRB-UHFFFAOYSA-N	280.265	1.707	5	40	CDBB	
COCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	29971250	SIXNHZOURODUCH-UHFFFAOYSA-N	294.716	1.173	5	40	CDBB	
O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])c(Cl)c1	97095563	QHOGYXOHPPWFPJ-WCBMZHEXSA-N	296.710	1.915	5	40	CDBB	
COC1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCC1	97054949	YUJRQHUWUKNUIB-UHFFFAOYSA-N	293.323	1.963	5	40	CDBB	
CC[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	96518069	XMOZRQGXDCNKMP-NSHDSACASA-N	285.321	1.991	5	40	CDBB	
C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1C[C@H]2CC[C@H]1C2	101157577	ONZJXTGMENCZSV-NAKRPEOUSA-N	293.327	1.127	5	40	CDBB	
Cc1ccc(NC(=O)CN2CCCNC2=O)cc1[N+](=O)[O-]	32818903	RZYDQFMXCGEKMY-UHFFFAOYSA-N	292.295	1.257	5	40	CDBB	
CC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@](C)(O)C1	33255	NIJWLQWTWIIXPW-CYBMUJFWSA-N	277.280	1.454	5	40	CDBB	
CCOC(=O)c1cc2nc3ccccn3c(=O)c2cc1N	1571640	QMLADESCPKALCX-UHFFFAOYSA-N	283.287	1.607	5	40	CDBB	
CCN(CCO)CCC(=O)c1ccc([N+](=O)[O-])cc1	1718689	VDBGYHFTBJIYIR-UHFFFAOYSA-N	266.297	1.482	5	40	CDBB	
Nc1ccc(NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	7357245	GQTSATIPZYKDAN-UHFFFAOYSA-N	293.304	1.978	5	40	CDBB	
O=C(O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	37410301	RRVREONUNCADCG-LURJTMIESA-N	270.266	1.346	5	40	CDBB	
CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1	195577242	LCSBNTOUXXKLPT-UHFFFAOYSA-N	292.339	1.343	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)NCCC1=CCCCC1	552585	VLYVCBKRBBXRQP-UHFFFAOYSA-N	279.300	1.193	5	40	CDBB	
O=c1[nH]c2cc(Cl)c(Cl)c([N+](=O)[O-])c2nc1O	1483505	CHFSOFHQIZKQCR-UHFFFAOYSA-N	276.035	1.844	5	40	CDBB	investigational
CCOCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	11565769	PDIFZTZODKFBKZ-UHFFFAOYSA-N	297.267	1.659	5	40	CDBB	
COc1cc(CNc2c([N+](=O)[O-])ncn2C)ccc1O	46484742	NGEYVKQTFOEGTQ-UHFFFAOYSA-N	278.268	1.655	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc1	95349629	JDFFWDLFEARPMP-OLZOCXBDSA-N	292.339	1.025	5	40	CDBB	
Cc1n[nH]cc1NC(=O)Cc1ccccc1[N+](=O)[O-]	49476539	GSJSRVGEGFSFJY-UHFFFAOYSA-N	260.253	1.808	5	40	CDBB	
C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccccc1[N+](=O)[O-]	69772853	VVTHBEQTLIRGBN-JQWIXIFHSA-N	277.324	1.681	5	40	CDBB	
COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C)CC1	45886652	CNQKWRPFUVJAAH-UHFFFAOYSA-N	296.283	1.263	5	40	CDBB	
CC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1	44676203	RXNBFXGPYBPOCL-UHFFFAOYSA-N	263.297	1.653	5	40	CDBB	
COc1ccc([C@@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1OC	251494	XNROXMLNSMHFFB-NSHDSACASA-N	293.279	1.566	5	40	CDBB	
COc1ccc(NC(=O)c2ccon2)cc1[N+](=O)[O-]	96007742	SWTWSQWXLMWMIN-UHFFFAOYSA-N	263.209	1.844	5	40	CDBB	
O=[N+]([O-])c1ccc(NCC2(O)CCOCC2)c(F)c1	69622319	DLJBRISVXMGQPE-UHFFFAOYSA-N	270.260	1.687	5	40	CDBB	
CNC(=O)c1ccc(N[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c1	97237226	KRUZTRJMZVALQJ-GFCCVEGCSA-N	295.339	1.773	5	40	CDBB	
CCS(=O)(=O)c1snnc1-c1cccc([N+](=O)[O-])c1	96525427	QTUBBGIOJKPNKX-UHFFFAOYSA-N	299.333	1.907	5	40	CDBB	
C[C@H](CNc1ccncc1[N+](=O)[O-])N1CCOC[C@H]1C	245344123	XRCMNIMYAJWEJK-GHMZBOCLSA-N	280.328	1.511	5	40	CDBB	
COc1cc2c(cc1OC)[C@@H](C[N+](=O)[O-])N(C)CC2	20112916	LKCPVTREMUUIHN-LLVKDONJSA-N	266.297	1.510	5	40	CDBB	biogenic
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nccnn1	4428970	BXUKKPUNYVUPDY-UHFFFAOYSA-N	260.213	1.424	5	40	CDBB	
CCCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	5077134	SUSNTJNNQCCLSX-UHFFFAOYSA-N	296.279	1.885	5	40	CDBB	
C[C@@H](O)CNc1cc(N2CCOCC2)ccc1[N+](=O)[O-]	4596840	DLFKQRADFLYMJK-SNVBAGLBSA-N	281.312	1.224	5	40	CDBB	
C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NC1CC1	5709987	LULVLYMLDMMIFV-ZETCQYMHSA-N	293.279	1.001	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC	20215614	ZQCDARRGDFHMNT-UHFFFAOYSA-N	254.242	1.456	5	40	CDBB	
NC(=O)/C=C/c1ccc(Br)c([N+](=O)[O-])c1	226345743	KDDRPJQTKHLJRI-DUXPYHPUSA-N	271.070	1.856	5	40	CDBB	
COc1cc(N2CC[C@H](CCO)C2)ccc1[N+](=O)[O-]	78365818	UYAPPLYIWIQUPI-SNVBAGLBSA-N	266.297	1.812	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCCNc1ncccn1	47996236	FKNGNUHTOGQUII-UHFFFAOYSA-N	260.257	1.304	5	40	CDBB	
CNc1nn(C(=O)Nc2ccccc2)cc1[N+](=O)[O-]	5209330	GAKBAILBUDCOTP-UHFFFAOYSA-N	261.241	1.913	5	40	CDBB	
O=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F	4710366	SDIANLQYYYDMEV-JTQLQIEISA-N	254.217	1.787	5	40	CDBB	
O=C(NN1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1	5670543	UIEYSVPTDHUDEX-UHFFFAOYSA-N	285.687	1.225	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cn(C)nc1C	5792419	JTCSSKGEYVSTQU-UHFFFAOYSA-N	290.279	1.898	5	40	CDBB	
CN1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O	74048277	URCQYWZEHZLAOQ-VIFPVBQESA-N	277.280	1.402	5	40	CDBB	
CN(C)CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1	37248054	PLVWSQMCJYXINF-UHFFFAOYSA-N	255.249	1.025	5	40	CDBB	
COc1ccc(-c2ccc(C(N)=O)o2)cc1[N+](=O)[O-]	40544890	PEKMXVSGBAKPNL-UHFFFAOYSA-N	262.221	1.962	5	40	CDBB	
COc1ccc(-c2nc3ncc([N+](=O)[O-])cn3n2)cc1	96305429	GNIPOQPOCDTJJZ-UHFFFAOYSA-N	271.236	1.708	5	40	CDBB	
CCc1nnc(CN2CCc3ncc([N+](=O)[O-])cc3C2)o1	97234933	DVFNSEHDNVGUOC-UHFFFAOYSA-N	289.295	1.494	5	40	CDBB	
CN(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	96500866	WEJHTXNPEPTNLM-LLVKDONJSA-N	263.253	1.176	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	15220037	VYHCUDLEIGISHF-USZNOCQGSA-N	286.243	1.038	5	40	CDBB	
O=[N+]([O-])c1c(F)cccc1N1CCC[C@H](CO)C1	40452965	PUSUNYIHGDTCBG-VIFPVBQESA-N	254.261	1.943	5	40	CDBB	
COc1c2c(cc3c1[C@@H](C[C@H](C)O)[N+](C)(C)CC3)OCO2	485789	JDHJUNPYLKPCMG-CMPLNLGQSA-N	294.371	1.868	5	40	CDBB	biogenic
O=C(O)C1(Nc2ccc([N+](=O)[O-])cn2)CCCC1	4108464	HZXVKDMYVOMDFF-UHFFFAOYSA-N	251.242	1.799	5	40	CDBB	
CCCCC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	7020507	OWQADUIDTROXSC-LLVKDONJSA-N	295.339	1.842	5	40	CDBB	
Cn1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1	12984200	XHNADMIGROOAFY-UHFFFAOYSA-N	260.253	1.510	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])cc(C)c1NC(C)=O	4343151	CTRBXYMUCRFWGM-UHFFFAOYSA-N	252.226	1.648	5	40	CDBB	
O=[N+]([O-])c1cccc(CNC[C@]2(CCO)CCOC2)c1	89780827	FYRSKMRURYIKHI-AWEZNQCLSA-N	280.324	1.474	5	40	CDBB	
C[C@@]1(C(=O)O)CC(c2ccccc2[N+](=O)[O-])=NO1	71980989	KOXPDXFFQMVVNG-NSHDSACASA-N	250.210	1.563	5	40	CDBB	
CCOC(=O)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	149023615	ZKBXMUXCNYNNAY-UHFFFAOYSA-N	270.216	1.626	5	40	CDBB	
O=C1NCC2(CC[N+]([O-])(CCc3ccccc3)CC2)O1	166089665	PEYJGEWJSVTMEN-UHFFFAOYSA-N	276.336	1.816	5	40	CDBB	in-vitro
CCOC[C@H](O)CNc1ncc(C)cc1[N+](=O)[O-]	78667389	PYLIFTARBIWSSA-SECBINFHSA-N	255.274	1.108	5	40	CDBB	
Cc1[nH]nc(C(=O)N2CCC23CCC3)c1[N+](=O)[O-]	81417582	MNQJDCDMFZNUBJ-UHFFFAOYSA-N	250.258	1.395	5	40	CDBB	
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCCCCC1	26422734	VIZIEWYIHZQOJX-UHFFFAOYSA-N	265.269	1.299	5	40	CDBB	
C[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1	30015251	URHVPKFATWOURY-BDAKNGLRSA-N	279.296	1.592	5	40	CDBB	
O=c1c2c3c(sc2nc2ccc4nnnn4n12)CCCC3	102210	CGUWUGQSYMVAIT-UHFFFAOYSA-N	298.331	1.226	5	40	CDBB	
C[C@H]1CCCN([C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)C1	12473781	DJSFIGARWKRMBO-XPTSAGLGSA-N	291.307	1.424	5	40	CDBB	
CC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F	3850849	XCVGTVUQQPQFJF-UHFFFAOYSA-N	257.246	1.567	5	40	CDBB	
COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	5731812	STNYMNYXXLCDMB-UHFFFAOYSA-N	250.254	1.982	5	40	CDBB	
C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1C[C@H]2CC[C@H]1C2	101157575	ONZJXTGMENCZSV-RCWTZXSCSA-N	293.327	1.127	5	40	CDBB	
C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)N1CCNC1=O	12777172	REJKJSVZIHOSQR-SSDOTTSWSA-N	297.242	1.053	5	40	CDBB	
Cc1nc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2o1	47270604	KTWWXYHDTYRDEL-PSASIEDQSA-N	261.237	1.740	5	40	CDBB	
CC(C)c1csc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])n1	47248927	JOBAVFNAJHHINP-XPUUQOCRSA-N	255.299	1.870	5	40	CDBB	
O=C(NCc1ccccc1[N+](=O)[O-])c1cnsn1	49214345	GLMUYRWMVBEEGX-UHFFFAOYSA-N	264.266	1.376	5	40	CDBB	
COc1cc(NCCC(=O)N(C)C)c([N+](=O)[O-])cc1F	91453240	MLDRKVWFAUYOQX-UHFFFAOYSA-N	285.275	1.633	5	40	CDBB	
COc1ccc(-c2noc([C@@H]3C[C@@H]3[N+](=O)[O-])n2)c(OC)c1	69873945	ZROHZYNMPQAWBH-ZJUUUORDSA-N	291.263	1.886	5	40	CDBB	
CCN1C[C@H](C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CC1=O	72274411	JVFSYFOVTSZMHW-MRVPVSSYSA-N	295.270	1.541	5	40	CDBB	
CCN1CCN(c2cc(N)c(Cl)cc2[N+](=O)[O-])CC1	45891175	ZEOYMBGZXZVKFA-UHFFFAOYSA-N	284.747	1.972	5	40	CDBB	
CNc1ccc(C(=O)OCC(=O)NC2CC2)cc1[N+](=O)[O-]	5363729	HNORSEYLRBIBOJ-UHFFFAOYSA-N	293.279	1.072	5	40	CDBB	
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCCC1	5319204	SDCGEJNPYMPHKZ-UHFFFAOYSA-N	293.323	1.905	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1CC[S@](=O)c1ccccc1	60708890	YANKJLXTILGARR-HXUWFJFHSA-N	292.316	1.564	5	40	CDBB	
O=[N+]([O-])c1ncn(Cc2ccc(F)c3cccnc23)n1	48603268	YWHOFHLNWYCWLH-UHFFFAOYSA-N	273.227	1.922	5	40	CDBB	
CCONC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	17821337	JVMAOKNIVNGBGC-UHFFFAOYSA-N	265.269	1.850	5	40	CDBB	
CNc1ccc([C@@H]2NC(=O)[C@@H]3CCCCN32)cc1[N+](=O)[O-]	71967743	QSVUUGWSUIXPLX-WCQYABFASA-N	290.323	1.619	5	40	CDBB	
O=C(O)CCn1nc(C(F)(F)F)cc1[N+](=O)[O-]	35655543	VSPGGLZCOPFVHV-UHFFFAOYSA-N	253.136	1.285	5	40	CDBB	
COCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	5547418	JOEFSLDOARSQOW-UHFFFAOYSA-N	252.270	1.670	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1	192508	DOOVCFBYVURMRD-UHFFFAOYSA-N	260.253	1.258	5	40	CDBB	
CC(C)N(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCC1	57748826	VVZUOLSEINHYGB-UHFFFAOYSA-N	280.328	1.971	5	40	CDBB	
O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@@H]1[N+](=O)[O-]	48918817	LUEAZYMKRHNZEY-BDAKNGLRSA-N	290.304	1.809	5	40	CDBB	
CC[C@@H](CO)NC(=O)c1ccc(F)cc1[N+](=O)[O-]	97233218	RHJDGWOWSCSVSZ-QMMMGPOBSA-N	256.233	1.235	5	40	CDBB	
C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccccc1[N+](=O)[O-]	69772856	VVTHBEQTLIRGBN-CMPLNLGQSA-N	277.324	1.681	5	40	CDBB	
O=C(c1cccc([N+](=O)[O-])c1O)N1CCOC[C@@H]1C1CC1	89975016	DHOCIPSINACROL-GFCCVEGCSA-N	292.291	1.551	5	40	CDBB	
O=C(O)c1nn(-c2ccccc2Cl)nc1[N+](=O)[O-]	89263366	XZXAFOFZEIFPOH-UHFFFAOYSA-N	268.616	1.527	5	40	CDBB	
Cc1cc(N2C[C@H](CO)OC[C@H]2C)ccc1[N+](=O)[O-]	108111916	OPTFNILFDLBIRT-ZYHUDNBSSA-N	266.297	1.489	5	40	CDBB	
Nc1ncc2cc([N+](=O)[O-])ccc2c1C(=O)N1CCCC1	6668591	LUDCMIIYIDBPEK-UHFFFAOYSA-N	286.291	1.961	5	40	CDBB	
CCN(CC)CCNC(=O)COc1ccc([N+](=O)[O-])cc1	3643032	OOJUQSOXMJPIKU-UHFFFAOYSA-N	295.339	1.432	5	40	CDBB	
CCOC(=O)Cc1ncc(Br)cc1[N+](=O)[O-]	95920064	ZHLUABBQKYUDCW-UHFFFAOYSA-N	289.085	1.858	5	40	CDBB	in-vitro
CC[C@@H]1CCCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	75765788	WSCOTZVHVRZXJG-OCCSQVGLSA-N	296.371	1.807	5	40	CDBB	
CC(C)C[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1N	96489147	VEIQXUJZANGZID-VIFPVBQESA-N	281.312	1.314	5	40	CDBB	
CC[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1	96461836	OJCPKRJFDSSBHW-ZDUSSCGKSA-N	250.298	1.724	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1I	675031415	JQTWUIHPUIZUBP-UHFFFAOYSA-N	267.026	1.416	5	40	CDBB	
C[C@H](CO)CSCc1ccc(C(N)=O)cc1[N+](=O)[O-]	89081320	NBCSNHBKZVRCDU-MRVPVSSYSA-N	284.337	1.555	5	40	CDBB	
Cc1cc([N+](=O)[O-])c(N2CCN(C)CC2)c([N+](=O)[O-])c1	5127656	NJXITFHBFPJCER-UHFFFAOYSA-N	280.284	1.563	5	40	CDBB	
Cc1nc2nc(-c3ccncc3)nn2c(O)c1[N+](=O)[O-]	5721405	KUASPOKRGPFYQU-UHFFFAOYSA-N	272.224	1.109	5	40	CDBB	
CC(C)[C@@H](C(=O)Nn1cnnc1)c1ccc([N+](=O)[O-])cc1	16807312	FAEXSHTUGLCDOP-GFCCVEGCSA-N	289.295	1.696	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)n1cc(Cl)cn1	1428941	CSJQLGODBQJVFA-UHFFFAOYSA-N	269.648	1.290	5	40	CDBB	
O=C(NCCCN1CCOCC1)c1ccccc1[N+](=O)[O-]	20356199	SPGJFTDZJFKBRG-UHFFFAOYSA-N	293.323	1.047	5	40	CDBB	
COc1ccc(NC(=O)N2CCOCC2)c([N+](=O)[O-])c1	23391014	JVQSHTPENQWAJA-UHFFFAOYSA-N	281.268	1.468	5	40	CDBB	
CC(C)(C)NC(=O)COc1ccccc1[N+](=O)[O-]	115645	RVGIZNZIRISTOJ-UHFFFAOYSA-N	252.270	1.888	5	40	CDBB	
CS(=O)(=O)N1CCC[C@H](Nc2ccccc2[N+](=O)[O-])C1	49056187	ONMYTVFJHMIUMB-JTQLQIEISA-N	299.352	1.431	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCCCC1	6120324	XPLITPQOTNFAQR-UHFFFAOYSA-N	279.296	1.205	5	40	CDBB	
CSC[C@H](CCO)Nc1ncccc1[N+](=O)[O-]	72293868	HLDYVUBEEKEHNA-QMMMGPOBSA-N	257.315	1.516	5	40	CDBB	
O=C1OCCN1CCOc1ccc(F)cc1[N+](=O)[O-]	69563881	VFVKJUKSUIXJKT-UHFFFAOYSA-N	270.216	1.565	5	40	CDBB	
O=C(O)CSc1nc2c([N+](=O)[O-])cccc2[nH]1	89195081	QTOYMAXZJZKRRY-UHFFFAOYSA-N	253.239	1.648	5	40	CDBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccccn1	138719	RKJUQKISWPWPJM-UHFFFAOYSA-N	269.216	1.790	5	40	CDBB	
COc1cc([C@H](N)CC(=O)O)c([N+](=O)[O-])cc1OC	2597555	ZDNOZXAOAKAJGC-SSDOTTSWSA-N	270.241	1.087	5	40	CDBB	
O=[N+]([O-])c1ccc(OCCNC[C@H]2CCCO2)cc1	3247105	PMKQXZUHPXLKAW-CYBMUJFWSA-N	266.297	1.742	5	40	CDBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCCCCC2)n1	5163574	ACHYNKZFCPNNGR-UHFFFAOYSA-N	280.332	1.413	5	40	CDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1	5257018	ZFGQKFBWHCYXTO-UHFFFAOYSA-N	296.239	1.367	5	40	CDBB	
COC[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-]	8317624	QERWBIHZVYXEES-LURJTMIESA-N	256.287	1.751	5	40	CDBB	
Cc1cnn(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1	17022338	PQUKVGGCXJNBRV-UHFFFAOYSA-N	290.279	1.834	5	40	CDBB	
CC(=O)N[C@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1	97229473	SEGZTKGZFFHVDR-VIFPVBQESA-N	299.277	1.978	5	40	CDBB	
CCOc1ccc2c(c1)oc1cc(=O)ccc-1[n+]2[O-]	65740898	XWPCTJAXIHCATC-UHFFFAOYSA-N	257.245	1.930	5	40	CDBB	in-vitro
CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-]	5736173	MIDLRDLDWAPZHS-UHFFFAOYSA-N	250.258	1.611	5	40	CDBB	
O=[N+]([O-])c1c(/C=C/c2ccco2)nc2ncnn2c1O	16430086	FHOGKDIOYYLZNN-ONEGZZNKSA-N	273.208	1.502	5	40	CDBB	
O=c1cc(N2CCOCC2)n2c(ccc3ccccc32)n1	1648883	ABBGHLMMVNLPFK-UHFFFAOYSA-N	281.315	1.684	5	40	CDBB	
Cn1cc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cn2)n1	4619335	POUPKEFKHLEKLJ-UHFFFAOYSA-N	281.659	1.629	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)C[S@@](C)=O	97109024	CANAEKQBHZOZJR-FVINQWEUSA-N	298.364	1.742	5	40	CDBB	
CC(C)(CO)NC(=O)CCc1cccc([N+](=O)[O-])c1	95994405	MRVHRTZDUZPPHU-UHFFFAOYSA-N	266.297	1.415	5	40	CDBB	
Cc1cccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)c1	96452625	MGCNBACVQJGVBH-UHFFFAOYSA-N	276.252	1.352	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC1	43127166	VCXXJACMEOZSRI-UHFFFAOYSA-N	251.242	1.887	5	40	CDBB	
C=Cn1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1	10119597	BROCMOXRSHOIKC-UHFFFAOYSA-N	274.240	1.243	5	40	CDBB	
Cc1cccn2cc(Cn3cc([N+](=O)[O-])ccc3=O)nc12	11288036	IUTOMKYMWPKOLT-UHFFFAOYSA-N	284.275	1.761	5	40	CDBB	
C[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	54370001	GZQMNMLOZUVAJN-MRVPVSSYSA-N	283.715	1.682	5	40	CDBB	
CC(C)CCn1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)n1	96001993	BBLRHPHUODXSAU-UHFFFAOYSA-N	291.315	1.953	5	40	CDBB	
CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1	4589870	YFDZGLXFBUFGRE-UHFFFAOYSA-N	266.253	1.196	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C)C1	216908408	GFIHNPHYBKEKBI-JTQLQIEISA-N	293.323	1.884	5	40	CDBB	
O=[N+]([O-])c1cccnc1N(C[C@@H]1CCOC1)C1CC1	97379211	FJOLLDVTKJQJRR-JTQLQIEISA-N	263.297	1.995	5	40	CDBB	
Nc1ncnc(Nc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	4059575	JVCIWVAWDASKJR-UHFFFAOYSA-N	276.212	1.619	5	40	CDBB	
CS(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	1728994	SAHBOHJNDBWWBP-UHFFFAOYSA-N	280.645	1.560	5	40	CDBB	
Cc1csc(NC(=O)[C@@H](C)Cn2cc([N+](=O)[O-])cn2)n1	2792348	HJWJNQBNPXRVHM-ZETCQYMHSA-N	295.324	1.831	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3cccnc3)CC2)nc1	12642931	WVERSGOGPGQZSA-UHFFFAOYSA-N	299.334	1.707	5	40	CDBB	
CC1(C)CC(=O)c2cnc3c([N+](=O)[O-])c(N)nn3c2C1	4127267	IBCGZZCVODLBBJ-UHFFFAOYSA-N	275.268	1.375	5	40	CDBB	
CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1	5032632	NUSVFJHWHQINGA-MRVPVSSYSA-N	296.331	1.014	5	40	CDBB	
O=C(NCc1ccncc1)c1[nH]nc([N+](=O)[O-])c1Cl	8417994	LFJKXYFGVZWMPE-UHFFFAOYSA-N	281.659	1.296	5	40	CDBB	
CN(CCCS(C)(=O)=O)c1sccc1[N+](=O)[O-]	96492825	TXFCPPVRYLPXTA-UHFFFAOYSA-N	278.355	1.527	5	40	CDBB	
CC(C)(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1	3291160	QSIZKBBZFYJLHP-UHFFFAOYSA-N	255.226	1.960	5	40	CDBB	
Cc1cc(C(=O)NCCCn2cccn2)ccc1[N+](=O)[O-]	30170803	KLHHTOXBQDHJBY-UHFFFAOYSA-N	288.307	1.920	5	40	CDBB	
NC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	335077	XBNNPAVXYFLWAG-UHFFFAOYSA-N	285.259	1.946	5	40	CDBB	
COC[C@@H](O)CNc1ccc([N+](=O)[O-])c2cccnc12	71271694	ADMGXWWKDWUUOX-VIFPVBQESA-N	277.280	1.562	5	40	CDBB	
CC(=O)O[C@H](C[N+](=O)[O-])c1cnn(-c2ccccc2)n1	1090614	JXYMYNUNOUTWCB-GFCCVEGCSA-N	276.252	1.148	5	40	CDBB	
O=C(C[C@@H]1SC(=O)NC1=O)Nc1cccc([N+](=O)[O-])c1	1238411	HVGXTCMOMGFTPO-QMMMGPOBSA-N	295.276	1.275	5	40	CDBB	
O=C(NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3061389	AGCDOLDEZGAGBW-VIFPVBQESA-N	295.251	1.412	5	40	CDBB	
O=C(CCn1ccc([N+](=O)[O-])n1)Nc1nccs1	2739609	GJWBNISBTILJPW-UHFFFAOYSA-N	267.270	1.277	5	40	CDBB	
C[C@@H]1CN(C)CCN1CCc1ccc([N+](=O)[O-])cc1	71889229	XNWQXQOWROTARO-GFCCVEGCSA-N	263.341	1.773	5	40	CDBB	
CSc1nnc(C)n1NC(=O)c1ccc([N+](=O)[O-])cc1	33663305	IAVZHLYMUBOBKM-UHFFFAOYSA-N	293.308	1.601	5	40	CDBB	
O=C(O)Cc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12	37637620	XFCYKHSPAVTFNX-UHFFFAOYSA-N	264.193	1.401	5	40	CDBB	
CCOC(=O)C[C@@H](n1cc([N+](=O)[O-])cn1)C(F)(F)F	685936578	HYSJLJMAQIIUJI-SSDOTTSWSA-N	281.190	1.848	5	40	CDBB	
CNc1ccc([C@H]2NC(=O)[C@@H]3CCCCN32)cc1[N+](=O)[O-]	71967744	QSVUUGWSUIXPLX-AAEUAGOBSA-N	290.323	1.619	5	40	CDBB	
Nc1nc(NCc2cccc3c2OCO3)ncc1[N+](=O)[O-]	60451501	CMJFZCZAOYSREZ-UHFFFAOYSA-N	289.251	1.308	5	40	CDBB	
Cc1cc(S(=O)(=O)N2CCCC2)cc([N+](=O)[O-])c1C	5235061	WUOGSLJNNJNNRM-UHFFFAOYSA-N	284.337	1.996	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(F)cc1	6668642	YJRSLIHFHVULPL-UHFFFAOYSA-N	278.243	1.397	5	40	CDBB	
CCCOC(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	70461620	BVAGZECANPBFPI-UHFFFAOYSA-N	293.323	1.571	5	40	CDBB	
COc1ccc([N+](=O)[O-])nc1I	71255342	DUOMLXGCXDZKAB-UHFFFAOYSA-N	280.021	1.603	5	40	CDBB	
C[C@@H](N)c1n[nH]c(COc2cccc([N+](=O)[O-])c2)n1	95534671	WRNFVKDXGRZFIG-SSDOTTSWSA-N	263.257	1.312	5	40	CDBB	
COc1cc(N2CCC[C@@H](O)C2)ccc1[N+](=O)[O-]	91356020	TWWSEXSJRRYTHW-SNVBAGLBSA-N	252.270	1.565	5	40	CDBB	
CC(=O)NCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3845790	VFJWZDUOIFEOBY-UHFFFAOYSA-N	253.214	1.182	5	40	CDBB	
CSc1nc(N)n(-c2ccc([N+](=O)[O-])cc2)n1	6794427	NQVMEXFHUDKHPI-UHFFFAOYSA-N	251.271	1.480	5	40	CDBB	
C[C@H](C(=O)Nc1ccccc1)n1cc([N+](=O)[O-])cn1	1423697	FFYALDJBJHDCHR-SECBINFHSA-N	260.253	1.991	5	40	CDBB	
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1[N+](=O)[O-]	100071644	JROWKMSMOKJXDW-UHFFFAOYSA-N	264.197	1.290	5	40	CDBB	
O=C(O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	11920107	XAZGBADMKOHGBD-UHFFFAOYSA-N	274.232	1.503	5	40	CDBB	
CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1	48608973	RAWFGDXAPHIETD-UHFFFAOYSA-N	263.297	1.419	5	40	CDBB	
O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C[C@H]1[N+](=O)[O-]	48918820	LUEAZYMKRHNZEY-DTWKUNHWSA-N	290.304	1.809	5	40	CDBB	
O=C(NCCO)Nc1cc2ncccc2c2cccnc12	408976199	QJICKQMHKLYDSY-UHFFFAOYSA-N	282.303	1.897	5	40	CDBB	
Nc1nc(N2CCCCC2)nc(N2CCCC2)c1[N+](=O)[O-]	5112018	IANHAHRNJATISM-UHFFFAOYSA-N	292.343	1.558	5	40	CDBB	
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccncc1	6277152	WPQJVZHBKKAYJZ-UHFFFAOYSA-N	295.686	1.869	5	40	CDBB	
Cc1c(C(=O)O[C@@H](C)C(=O)NC2CC2)cccc1[N+](=O)[O-]	5779461	NNVGBBUWVHLUFB-VIFPVBQESA-N	292.291	1.727	5	40	CDBB	
CN(CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])c(O)c1	95982346	KJXNZGQCAUWBAK-UHFFFAOYSA-N	295.339	1.647	5	40	CDBB	
COC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c([N+](=O)[O-])c2)C1	45952969	UHICSPWAVGYZES-MRVPVSSYSA-N	294.263	1.129	5	40	CDBB	
O=[N+]([O-])c1cccc(-n2cc3cnnc(O)c3n2)c1	96306068	LXOKOYZEUSCONU-UHFFFAOYSA-N	257.209	1.429	5	40	CDBB	
COC(=O)c1oc(Cn2c([N+](=O)[O-])cnc2C)cc1C	96455718	MPRUBWFXCABXNX-UHFFFAOYSA-N	279.252	1.836	5	40	CDBB	
CCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1=O	82459371	YWISRZJSYZJERL-UHFFFAOYSA-N	289.247	1.537	5	40	CDBB	
Cn1nc([N+](=O)[O-])cc1C(=O)NCc1cccs1	4775597	LWJZMBJVRPAFRN-UHFFFAOYSA-N	266.282	1.320	5	40	CDBB	
Nc1nc(N2CCc3ccccc32)ncc1[N+](=O)[O-]	71284255	QDQVKLVCCGRDLZ-UHFFFAOYSA-N	257.253	1.661	5	40	CDBB	
Cc1cc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)on1	25400972	AONGRJYTJXENBW-UHFFFAOYSA-N	287.231	1.687	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)O	4256483	LDUVYHPZZBHLDB-UHFFFAOYSA-N	268.225	1.407	5	40	CDBB	
CC(C)OC(=O)C[C@@H](N)c1ccccc1[N+](=O)[O-]	20268538	PPDSCYOUHQUYRX-SNVBAGLBSA-N	252.270	1.936	5	40	CDBB	
CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	95944894	CAMLRNFSPVLLTJ-UHFFFAOYSA-N	278.355	1.995	5	40	CDBB	
CCOC(=O)c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1	85385804	HTDIZZIXDJBHKO-UHFFFAOYSA-N	292.251	1.469	5	40	CDBB	
CCOC(=N)c1cc(OC)c(OC)cc1[N+](=O)[O-]	228942673	QIKVZAQXCZPEJD-UHFFFAOYSA-N	254.242	1.974	5	40	CDBB	
Cc1nc2cc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])ccc2o1	47270600	KTWWXYHDTYRDEL-SCZZXKLOSA-N	261.237	1.740	5	40	CDBB	
Cc1c(C(=O)NC(C)C)nnn1-c1cccc([N+](=O)[O-])c1	24260931	QVDOTOOJTZRKHY-UHFFFAOYSA-N	289.295	1.622	5	40	CDBB	
O=c1c2cc3ccccc3cc2c(=O)n2n1CC=CC2	1872314	JQFZJYNQRUKMLK-UHFFFAOYSA-N	264.284	1.886	5	40	CDBB	
C[N+](C)(C)c1ncnc2c1ncn2[C@@H]1CCCCO1	3954053	CSZQANOPEOXSKZ-JTQLQIEISA-N	262.337	1.722	5	40	CDBB	in-vitro
Nc1c(NC(=O)CC[n+]2ccccc2)cccc1[N+](=O)[O-]	4661288	FMVIXEGDZFLEBU-UHFFFAOYSA-O	287.299	1.493	5	40	CDBB	
CCCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1O	4526682	IOLWFDYNUYRKJF-UHFFFAOYSA-N	274.298	1.842	5	40	CDBB	
O=[N+]([O-])c1cc2c(cc1CN1CCOCC1)OCOC2	73658638	RBMAPBGFVGQIBK-UHFFFAOYSA-N	280.280	1.294	5	40	CDBB	
Cn1c(SCc2c(F)cccc2[N+](=O)[O-])n[nH]c1=O	69618617	YGHXEQAGFNCIEQ-UHFFFAOYSA-N	284.272	1.448	5	40	CDBB	
Cc1nn(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-]	4548914	OVUCWNGMQLFKHU-UWVGGRQHSA-N	294.355	1.913	5	40	CDBB	
CONC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	10893281	HXJMMRMPCMCZOO-UHFFFAOYSA-N	279.296	1.489	5	40	CDBB	
O=C(OC[C@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3153490	BBTPSOICOSFRAD-LLVKDONJSA-N	296.235	1.839	5	40	CDBB	
CC(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2739409	RXVRKSSIZVELHV-UHFFFAOYSA-N	281.268	1.818	5	40	CDBB	
O=[N+]([O-])c1cc(-c2cc(O)on2)cc([N+](=O)[O-])c1	71976602	XEBNMFGECLNMMX-UHFFFAOYSA-N	251.154	1.864	5	40	CDBB	
Cc1cc(S(=O)(=O)N(C)CC(F)F)ccc1[N+](=O)[O-]	96406682	SVWNUAHDFSLKBT-UHFFFAOYSA-N	294.279	1.789	5	40	CDBB	
CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	77235860	ZLTAVUQCVJRQKB-KOLCDFICSA-N	299.352	1.758	5	40	CDBB	
O=C(O)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	19484537	NIWBRBFOEHZEGU-ZZXKWVIFSA-N	264.237	1.199	5	40	CDBB	
O=C1NCCN1C(=O)Nc1cccc([N+](=O)[O-])c1	43523	IQJRTYMIVHICHI-UHFFFAOYSA-N	250.214	1.152	5	40	CDBB	
COc1cc2c(=O)[nH]c3cc(N)ccc3c2cc1N	8627782	MJQODNQFNXYYQT-UHFFFAOYSA-N	255.277	1.854	5	40	CDBB	
COc1ccc(OC)c2c1ncc1c(=O)nc(N)sc12	40175653	HCLCXLMBDUCPTO-UHFFFAOYSA-N	289.316	1.804	5	40	CDBB	
CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCS1	78578980	IEAVEPMUXIGOBV-SECBINFHSA-N	283.357	1.545	5	40	CDBB	
C[C@H](NC[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	90850142	IUCOROLDKWZBSJ-GWCFXTLKSA-N	266.297	1.397	5	40	CDBB	
COC(CN(C)C(=O)c1ccc([N+](=O)[O-])cc1)OC	2742255	PHMNTIHNMVFHJY-UHFFFAOYSA-N	268.269	1.286	5	40	CDBB	
C[C@H]1Cc2ccccc2N1C(=O)Cn1cnc([N+](=O)[O-])c1	12755285	NVJGNHJOVYDSPE-JTQLQIEISA-N	286.291	1.769	5	40	CDBB	
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(N)=O	3514173	RTJCAGKWCCUFNQ-YFKPBYRVSA-N	272.644	1.279	5	40	CDBB	
Nc1nc(N[C@@H](CCO)C2CCCCC2)ncc1[N+](=O)[O-]	71911562	LYAPEWVPLDJNIZ-JTQLQIEISA-N	295.343	1.710	5	40	CDBB	
O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCC1CC1	95939976	SENHVDRSNQCCNH-UHFFFAOYSA-N	284.337	1.814	5	40	CDBB	
C[C@@H](CO)N1CCN(c2sccc2[N+](=O)[O-])CC1	95986644	OFTROAPOZPVTGJ-VIFPVBQESA-N	271.342	1.159	5	40	CDBB	
O=C(NCCc1cscn1)c1ccc([N+](=O)[O-])cc1O	97373277	BLCFWSCYPFRHCA-UHFFFAOYSA-N	293.304	1.729	5	40	CDBB	
COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1	1467823	KEQHFDMJTZQKDN-LLVKDONJSA-N	278.264	1.372	5	40	CDBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)n2cccn2)c1	32601869	ZFKOUAGMDPYQLJ-UHFFFAOYSA-N	287.684	1.682	5	40	CDBB	
C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nncn1C	32934671	ZAEVJCCJAYWZGD-QMMMGPOBSA-N	290.283	1.606	5	40	CDBB	
Cc1noc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1	42703345	LHZIFAUFNIOYDH-UHFFFAOYSA-N	262.225	1.467	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCc2ccccc21	6120137	PLTQQUFCNLISML-UHFFFAOYSA-N	299.286	1.346	5	40	CDBB	
COC(=O)C1CCN(c2ncc([N+](=O)[O-])cc2C)CC1	52813406	FJPWDQDKLZVZOY-UHFFFAOYSA-N	279.296	1.688	5	40	CDBB	
CC(C)[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)O	19504637	GJCLFMMUHRVUEL-KTRBRXNASA-N	292.291	1.833	5	40	CDBB	
C/C=C/C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-]	6461396	QMQOPUIYKADQEX-GORDUTHDSA-N	264.237	1.653	5	40	CDBB	
O=C(C1CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	33110460	XHWMXRPSQZTFEW-UHFFFAOYSA-N	290.323	1.439	5	40	CDBB	
COC(=O)c1nn(CC(F)(F)F)cc1[N+](=O)[O-]	408715935	GXTCCLJUYYAPEF-UHFFFAOYSA-N	253.136	1.140	5	40	CDBB	
C[C@H](C(=O)NCc1ccncc1)n1cc([N+](=O)[O-])cn1	6524289	HEKDTMHTVUOWMW-SECBINFHSA-N	275.268	1.064	5	40	CDBB	
CCCn1cc(Nc2c([N+](=O)[O-])c(C)nn2C)cn1	78472834	VATGKXRNZYZSQA-UHFFFAOYSA-N	264.289	1.987	5	40	CDBB	
CCOC(=O)c1nc(-c2ccc(O)c([N+](=O)[O-])c2)n[nH]1	85385984	BYNXIVUPNSSFQQ-UHFFFAOYSA-N	278.224	1.262	5	40	CDBB	
COC(=O)[C@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2C)C1	45953527	RUTYCJUHGFZGBN-VIFPVBQESA-N	278.264	1.429	5	40	CDBB	
O=C1C[C@@H](C(=O)O)[C@@H](c2ccccc2[N+](=O)[O-])O1	85394861	PNYFBUUZSWWNOO-GMSGAONNSA-N	251.194	1.284	5	40	CDBB	
CCc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O)CC1=O	226314642	CEKBZEQHAMMOTD-VIFPVBQESA-N	278.264	1.595	5	40	CDBB	
Cc1ccccc1/C=C\c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	30840519	QQAIMOQCZAPEJO-SREVYHEPSA-N	273.248	1.450	5	40	CDBB	
CCOC(=O)c1cc(=O)c2c([N+](=O)[O-])ccc(OC)c2o1	381758	YNWZNDXBTXDPME-UHFFFAOYSA-N	293.231	1.887	5	40	CDBB	
CC(C)NC(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	58174268	MHZJDWAXLYPTLA-UHFFFAOYSA-N	289.295	1.378	5	40	CDBB	
O=C(CCn1cncn1)Nc1cccc([N+](=O)[O-])c1	25525088	BDHHPKWXQSXRLB-UHFFFAOYSA-N	261.241	1.215	5	40	CDBB	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1nccs1	2791456	DCFNVKGBQJRKFF-ZETCQYMHSA-N	281.297	1.523	5	40	CDBB	
Cc1nn(C)cc1Cn1ncc(Cl)c1[N+](=O)[O-]	2745782	IVWQBUXNUPZSMU-UHFFFAOYSA-N	255.665	1.535	5	40	CDBB	
CCOC(Cn1cc(Cl)c([N+](=O)[O-])n1)OCC	12394134	VFGVJUQRPGJIGC-UHFFFAOYSA-N	263.681	1.844	5	40	CDBB	
O=[N+]([O-])c1ccc(CN2CCC(OCCCO)CC2)cc1	84398258	HSJWCWGGDQHNJY-UHFFFAOYSA-N	294.351	1.958	5	40	CDBB	
Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])no1	3516114	BNGXWVSLZHLLEE-UHFFFAOYSA-N	277.236	1.909	5	40	CDBB	
O=C(NC1CC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	6330242	FMYKQLIMUKSDEP-UHFFFAOYSA-N	251.198	1.395	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1N1C[C@H](C(=O)O)CC1=O	34956979	WIOKQEDSKFQPEE-SSDOTTSWSA-N	280.236	1.041	5	40	CDBB	
Cc1ccc(=O)n(C[C@H](O)c2cccc([N+](=O)[O-])c2)n1	95432548	BNUGYCOFDDOXGI-LBPRGKRZSA-N	275.264	1.194	5	40	CDBB	
CN1CC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])CC1=O	192860585	GNCOFQDKEQCCFM-VIFPVBQESA-N	267.260	1.767	5	40	CDBB	
CC[N+](C)(C)CCCOC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23	5352078	UAYTZKXVZLOQJE-ITGHMWBKSA-N	296.387	1.214	5	40	CDBB	
Cc1nc([N+](=O)[O-])c(Br)n1CCC(=O)O	40162868	CAVNLDPSIVBZKT-UHFFFAOYSA-N	278.062	1.337	5	40	CDBB	
CCCNC(=O)[C@H](C)NC(=O)Nc1ccccc1[N+](=O)[O-]	32735887	AJIVSEPFPODPQT-VIFPVBQESA-N	294.311	1.631	5	40	CDBB	
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCCCC1	32721663	KOHCRRCIJBWGJN-UHFFFAOYSA-N	288.307	1.957	5	40	CDBB	
CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	9154750	IFYWUZLBUBFPBJ-UHFFFAOYSA-N	277.324	1.947	5	40	CDBB	
O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCOCC1	48298511	ZQMLQPJENRDKMC-UHFFFAOYSA-N	275.264	1.549	5	40	CDBB	
CNc1nc(NCc2ccccc2)nc(N)c1[N+](=O)[O-]	4140231	SNHPAQAPIXUXSI-UHFFFAOYSA-N	274.284	1.621	5	40	CDBB	
O=C(c1cccc([N+](=O)[O-])c1)c1c(O)oc2cccc[n+]12	4705167	OPUFJRKWFPLLJA-UHFFFAOYSA-O	285.235	1.863	5	40	CDBB	
CCOC(=O)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C(C)C	97604973	LKSAYEYKMGCGAU-UHFFFAOYSA-N	298.299	1.040	5	40	CDBB	
CN(C)C1CCN(c2ncccc2[N+](=O)[O-])CC1	48462345	NQDVAQRKFNBPCH-UHFFFAOYSA-N	250.302	1.520	5	40	CDBB	
CCOC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	5952709	BUJNNZYDFVFRGO-UHFFFAOYSA-N	252.226	1.405	5	40	CDBB	
COCCn1c(S)nnc1-c1ccc([N+](=O)[O-])cc1	13534202	HUQIYHJZDNCGPV-UHFFFAOYSA-N	280.309	1.788	5	40	CDBB	
CC[C@H](C)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-]	23521717	KDRLNVYHCHUVSX-QMMMGPOBSA-N	280.280	1.783	5	40	CDBB	
O=C(OCC(=O)c1ccc[nH]1)c1ccc([N+](=O)[O-])cc1	6052019	SCNGVLWGCBDPMF-UHFFFAOYSA-N	274.232	1.963	5	40	CDBB	
CN(Cc1ccsc1)C(=O)Cn1cnc([N+](=O)[O-])c1	12753612	WZYOYWFLHIGTNX-UHFFFAOYSA-N	280.309	1.511	5	40	CDBB	
CCc1nc(NC(=O)c2n[nH]cc2[N+](=O)[O-])sc1C	95978325	ZIBSBRVXZKPIGZ-UHFFFAOYSA-N	281.297	1.898	5	40	CDBB	
CC(C)[C@@H](CO)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1	78901629	OPZSSDFNUUDSEF-ZWNOBZJWSA-N	295.339	1.972	5	40	CDBB	
O=C(Nc1ccccc1[N+](=O)[O-])c1cnsn1	43691434	NLCGJIZKTLYEKH-UHFFFAOYSA-N	250.239	1.699	5	40	CDBB	
CN(C)C(=O)NCCNc1c(F)cc([N+](=O)[O-])cc1F	195557488	GMMXVXBASSMDIT-UHFFFAOYSA-N	288.254	1.556	5	40	CDBB	
CN1CN(C)CN(Cc2ccc([N+](=O)[O-])cc2)C1	19319123	CUEISRDPYCBCOJ-UHFFFAOYSA-N	250.302	1.147	5	40	CDBB	
Cc1cc(C(=O)OCC(=O)NCC(C)C)ccc1[N+](=O)[O-]	3300300	OIVLALWKHYWZPR-UHFFFAOYSA-N	294.307	1.832	5	40	CDBB	
C[N+]1([C@H]2CC[C@H]3CCC[C@@H]2C32OCCO2)CCOCC1	4831208	VRVCNBSRFRKSAW-ILXRZTDVSA-N	282.404	1.785	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1NCCc1cncn1C	97373071	GUHGZWWBTUBPPD-UHFFFAOYSA-N	261.285	1.686	5	40	CDBB	
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1	5027853	UTHWUWYTBDEADO-WVKUQDAKSA-N	298.298	1.902	5	40	CDBB	
CC(=O)OCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5053099	DZWCQIALYGCKDP-UHFFFAOYSA-N	269.213	1.478	5	40	CDBB	
CCN(CC)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	1711261	FFIROZMRTLYPEN-UHFFFAOYSA-N	266.253	1.806	5	40	CDBB	
Cc1nc2ccccc2n1CCNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	44465458	LCELQNXMUXZNHU-MFKMUULPSA-N	288.307	1.126	5	40	CDBB	
Cc1cc(N[C@H]2CCCN(C(N)=O)C2)ccc1[N+](=O)[O-]	97108326	RZCCKGKMQYYEFV-NSHDSACASA-N	278.312	1.858	5	40	CDBB	
CC[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(OCC(F)F)n1	408715986	HNXQCKJKJSGZNK-YFKPBYRVSA-N	279.199	1.471	5	40	CDBB	
CSC[C@@H](CCO)Nc1nc2ccccn2c1[N+](=O)[O-]	77236781	GFOJRTVJFPIHIX-SECBINFHSA-N	296.352	1.768	5	40	CDBB	
O=[N+]([O-])c1cc(Br)cnc1[C@H]1CCNC1	71790999	YXSSIQVKYYTXGR-LURJTMIESA-N	272.102	1.829	5	40	CDBB	in-vitro
Cn1ccnc1SCCNc1ccc([N+](=O)[O-])cn1	26760750	ZAAMWQCWMAFDQZ-UHFFFAOYSA-N	279.325	1.928	5	40	CDBB	
O=C(NCc1cc[nH]n1)Nc1cccc([N+](=O)[O-])c1	32927903	CCJQSXGFKNZBFG-UHFFFAOYSA-N	261.241	1.640	5	40	CDBB	
Cc1cn2c(C)nc([N+](=O)[O-])c2n1CCCC(=O)O	49513	KXSICMLOTKDDJV-UHFFFAOYSA-N	266.257	1.526	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1CN1CCC(CO)CC1	47958767	AFHYFXVUMSSKIO-UHFFFAOYSA-N	280.324	1.808	5	40	CDBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)NC1CCCC1	2804971	QTECDTYEKQGMBU-UHFFFAOYSA-N	266.301	1.549	5	40	CDBB	
O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@H]1[N+](=O)[O-]	47298428	JTCYRMUNVAIOFA-CAHLUQPWSA-N	253.283	1.236	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C)c1S(=O)(=O)Nc1cn[nH]c1	95445272	GKTORIHUOYTAPN-UHFFFAOYSA-N	296.308	1.736	5	40	CDBB	
O=C(C1CC1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	12908131	NXVWISWWSAHPOO-UHFFFAOYSA-N	276.296	1.048	5	40	CDBB	
O=c1[nH]c(O)nc(/C=C/c2ccc([N+](=O)[O-])o2)c1[N+](=O)[O-]	34881424	PZTMVAGZPGJDRY-HNQUOIGGSA-N	294.179	1.055	5	40	CDBB	
C[C@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	72094763	LJTWJGJYXAIDMI-WRWORJQWSA-N	298.320	1.137	5	40	CDBB	
Cc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)[nH]n1	42654073	GYRVNHKDPKAMOF-UHFFFAOYSA-N	278.272	1.078	5	40	CDBB	
Cc1cc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c(=O)[nH]1	13523199	ABBZXOAEGKYVEX-UHFFFAOYSA-N	254.242	1.543	5	40	CDBB	
CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	22807831	NAEVAEPIWSEZLK-UHFFFAOYSA-N	278.312	1.294	5	40	CDBB	
CCCNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	3383623	KKMKGMGFBZYJPZ-UHFFFAOYSA-N	266.253	1.278	5	40	CDBB	
O=C(O)c1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3852434	AECXKSPXCPRWAY-UHFFFAOYSA-N	278.180	1.387	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCCN2)cc1	44492424	RQTOUJMWMCZVIQ-SNVBAGLBSA-N	299.352	1.015	5	40	CDBB	
O=C(COc1cccnc1[N+](=O)[O-])NCC(F)(F)F	5689713	AMANQVYXJUYSQW-UHFFFAOYSA-N	279.174	1.047	5	40	CDBB	
CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	69902805	NSBLFSQGQVDZEH-GZMMTYOYSA-N	297.698	1.902	5	40	CDBB	
COC[C@@H](C)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1	80857150	JYJJEWHPZSXWQL-CYBMUJFWSA-N	293.367	1.747	5	40	CDBB	
Nc1nc(Nc2ccn(CC(F)F)n2)ncc1[N+](=O)[O-]	96452695	LTBKDDDDQZJJPI-UHFFFAOYSA-N	285.214	1.172	5	40	CDBB	
O=C(O)Cc1cc(Br)cc([N+](=O)[O-])c1	95763912	BNQRWEHQGXWRGA-UHFFFAOYSA-N	260.043	1.984	5	40	CDBB	
CNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1Cl	32741515	WFWUMMQNEFMBAU-ZCFIWIBFSA-N	258.661	1.762	5	40	CDBB	
CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	60852	ZYDBGSDKHWATBP-UHFFFAOYSA-N	252.226	1.131	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC[C@H](CO)C2)c([N+](=O)[O-])c1	8128642	WNZDSVLIJLAHRO-VIFPVBQESA-N	281.268	1.712	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1NC[C@](C)(O)c1cnn(C)c1	76020986	QHTQKRRQYFALEZ-ZDUSSCGKSA-N	291.311	1.351	5	40	CDBB	
CC(C)(C)OC(=O)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1	62701405	PTCRUVDVEDTMDE-UHFFFAOYSA-N	293.283	1.449	5	40	CDBB	
Cc1nc(C)c([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])s1	96486473	BNGQCRMEFJKAPV-ZCFIWIBFSA-N	295.324	1.882	5	40	CDBB	
CC(C)(C)OC(=O)[C@H](N)Cc1cccc([N+](=O)[O-])c1	75629698	CKCMJKKZMFGTFW-LLVKDONJSA-N	266.297	1.806	5	40	CDBB	
CN1CCC(O)(CNc2ccccc2[N+](=O)[O-])CC1	77230891	ZLYJANPFEMLHBS-UHFFFAOYSA-N	265.313	1.463	5	40	CDBB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	194830	JUGYSSSLMPOMSI-LLVKDONJSA-N	291.263	1.396	5	40	CDBB	
O=C1COc2cc([N+](=O)[O-])ccc2N1Cc1ccccn1	34293007	BVXQKNPVJURLCC-UHFFFAOYSA-N	285.259	1.915	5	40	CDBB	
CSC(=O)NC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1	1584862	VFNGCFRCBMBUHE-UHFFFAOYSA-N	283.265	1.517	5	40	CDBB	
CN(C)CCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]	19845182	SMZJIWDUWOMFBO-UHFFFAOYSA-N	267.285	1.657	5	40	CDBB	
Cn1cnnc1SCCOc1ccc([N+](=O)[O-])cc1	49372294	NVJSGFSRGIZCBU-UHFFFAOYSA-N	280.309	1.894	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCCCC2)c(S(=O)(=O)O)c1	5234601	QQANOUXMWFQYFE-UHFFFAOYSA-N	286.309	1.832	5	40	CDBB	
CCOC(=O)/C=C1\Nc2ccc([N+](=O)[O-])cc2NC1=O	13207596	SITGISNZILCGRU-POHAHGRESA-N	277.236	1.406	5	40	CDBB	
COc1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1	104424	BHWGLTDEVLNDOF-UHFFFAOYSA-N	290.279	1.267	5	40	CDBB	
COc1ccc(-n2nc([N+](=O)[O-])c(NC(C)C)[n+]2[O-])cc1	4924143	DZXCAXFUSFTCKV-UHFFFAOYSA-N	293.283	1.243	5	40	CDBB	
CCOCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	59132374	VAPKUTKQBODDED-UHFFFAOYSA-N	288.325	1.300	5	40	CDBB	
CCOC(=O)c1cc2c(=O)[nH]c3ccccc3c2[nH]c1=O	20635434	MQSDNMWXFSVOEQ-UHFFFAOYSA-N	284.271	1.546	5	40	CDBB	
O=[N+]([O-])c1cc(S(=O)(=O)NC2CC2)ccc1Cl	5756833	IHCCJACAITXWAJ-UHFFFAOYSA-N	276.701	1.689	5	40	CDBB	
Cc1nn(CC(=O)N[C@H](C)C(C)C)c(C)c1[N+](=O)[O-]	8327492	ATKDPMMRZLKERS-MRVPVSSYSA-N	268.317	1.569	5	40	CDBB	
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccon1	97050541	JWBGLVADHTYJCI-UHFFFAOYSA-N	287.228	1.523	5	40	CDBB	
CC(C)Oc1nn(CCCC(=O)O)cc1[N+](=O)[O-]	408716314	LIIGEEYTBZXMPJ-UHFFFAOYSA-N	257.246	1.443	5	40	CDBB	
CN1CCC(O)(CNc2ccc([N+](=O)[O-])cc2F)CC1	77230833	WUOWNUGICIRRPT-UHFFFAOYSA-N	283.303	1.603	5	40	CDBB	
N[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)O	13537379	CPTBAJDVGFBNAK-VIFPVBQESA-N	256.283	1.240	5	40	CDBB	
O=C(c1cc2ccccc2oc1=O)n1cc([N+](=O)[O-])cn1	33376	LSQKXDRXDUPDHA-UHFFFAOYSA-N	285.215	1.586	5	40	CDBB	
Cc1c[n+]([O-])c(I)cc1[N+](=O)[O-]	3847028	XAEBISRXMJCNHW-UHFFFAOYSA-N	280.021	1.141	5	40	CDBB	
N=c1ccccn1CC(=O)c1ccc([N+](=O)[O-])cc1	106598225	OTLZDVVBEMLOJM-UHFFFAOYSA-N	257.249	1.759	5	40	CDBB	
O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1	2797966	WXDKSCLXIREBDN-UHFFFAOYSA-N	294.698	1.875	5	40	CDBB	
O=C(O)c1ccc(OCC(=O)N2CCCC2)c([N+](=O)[O-])c1	13053918	GNRSUMFQOJRIFF-UHFFFAOYSA-N	294.263	1.294	5	40	CDBB	
CCCc1n[nH]c(Sc2c([N+](=O)[O-])c(C)nn2C)n1	95397319	BGGJGBNMMHRTGE-UHFFFAOYSA-N	282.329	1.859	5	40	CDBB	
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O)ccc1[N+](=O)[O-]	19276425	GQHRWPKZHAUFMN-LLVKDONJSA-N	278.264	1.592	5	40	CDBB	
C[C@@H](C(=O)N(C)C)N1CCc2ccc([N+](=O)[O-])cc2C1	89368695	VOPUVAKHFRJBSZ-JTQLQIEISA-N	277.324	1.430	5	40	CDBB	
CCCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	9912550	DUBUFUPCDYWHCB-UHFFFAOYSA-N	289.295	1.705	5	40	CDBB	
O=[N+]([O-])c1ccc2[nH]c(N3CCCNCC3)nc2c1	94770062	ILUQVFHONGBQLT-UHFFFAOYSA-N	261.285	1.271	5	40	CDBB	in-vitro
CC(C)N1CCN(CCCn2cc([N+](=O)[O-])cn2)CC1	188293760	IKFLRDGEWWMYGC-UHFFFAOYSA-N	281.360	1.207	5	40	CDBB	
CN(Cc1nccn1C)C(=O)c1ccc([N+](=O)[O-])c(O)c1	79355178	GTTURJXEKBSKFZ-UHFFFAOYSA-N	290.279	1.306	5	40	CDBB	
COCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	225990522	VOCZKXZSMJKARB-UHFFFAOYSA-N	264.281	1.389	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(O)nc2c1O	17020299	DJAXDLJCIDXZON-UHFFFAOYSA-N	251.154	1.462	5	40	CDBB	in-vitro
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N+]1(C)C	1740816775	UQJKDFDWVVCCPW-LLVKDONJSA-N	250.322	1.880	5	40	CDBB	
CS(=O)(=O)c1ccc([N+](=O)[O-])c(N2CCCC2=O)c1	16789936	LPIWPPWYYBYSPG-UHFFFAOYSA-N	284.293	1.125	5	40	CDBB	
CC(C)OC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1	10667832	HTNUKICBXHKMCR-UHFFFAOYSA-N	280.280	1.666	5	40	CDBB	
CC(=O)Nc1cc(NCCCO)c(F)cc1[N+](=O)[O-]	12924563	WSKLRKJOXWFLSF-UHFFFAOYSA-N	271.248	1.487	5	40	CDBB	
CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4015675	VVCGJQIIQTWQGL-UHFFFAOYSA-N	257.677	1.748	5	40	CDBB	
O=c1[nH]nc(CSCc2ccc([N+](=O)[O-])cc2)[nH]1	6058579	UBTURTVEQACBKX-UHFFFAOYSA-N	266.282	1.440	5	40	CDBB	
C[C@H](O)CNc1cc(N2CCOCC2)ccc1[N+](=O)[O-]	4596839	DLFKQRADFLYMJK-JTQLQIEISA-N	281.312	1.224	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCO3)nc1	19735906	NMLMJCKWDMDLTR-UHFFFAOYSA-N	265.269	1.333	5	40	CDBB	
C[C@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1	84640118	MTDCIOJZECGPFD-JTQLQIEISA-N	293.323	1.624	5	40	CDBB	
CC[C@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)O	95970159	IMBUAWRUGSEIQE-WRWORJQWSA-N	295.295	1.406	5	40	CDBB	
CCOC(=O)[C@H](C)CNc1ccc([N+](=O)[O-])cn1	75105352	YVKWNKXBOKISJQ-MRVPVSSYSA-N	253.258	1.601	5	40	CDBB	
COC(=O)C(C)(C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	36398603	KQTVZOFHSBRDDT-BQYQJAHWSA-N	292.291	1.676	5	40	CDBB	
Cc1ccc(NC(=O)N2CCC(O)CC2)cc1[N+](=O)[O-]	44935461	AVIJIEFAOUWVFX-UHFFFAOYSA-N	279.296	1.892	5	40	CDBB	
O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccnc1	195576445	UHDOBERKPYZPGL-UHFFFAOYSA-N	262.225	1.043	5	40	CDBB	
C[C@H]1CCC[C@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	195562719	JAPFIRDWBMDHAF-DTWKUNHWSA-N	299.352	1.843	5	40	CDBB	
CCOC(=O)[C@H]1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1	98072899	ZHAPKBCTYLNTEZ-GHMZBOCLSA-N	282.321	1.862	5	40	CDBB	
C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1	11298598	PCTQIHVAJYDYBO-JTQLQIEISA-N	280.280	1.221	5	40	CDBB	
CC(C)CNC(=S)Nc1ccc([N+](=O)[O-])cn1	13838279	PPZRLJPEKAYTFO-UHFFFAOYSA-N	254.315	1.932	5	40	CDBB	
CC(=O)O[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCCO2	4134355	FZOJFWDYILFQBB-ZETCQYMHSA-N	267.237	1.990	5	40	CDBB	
O=C(Cn1cccn1)NCCNc1ccc([N+](=O)[O-])cc1	48309808	IGFYSVWOOQBIIO-UHFFFAOYSA-N	289.295	1.020	5	40	CDBB	
CCCn1nc([N+](=O)[O-])cc1I	953126663	AXCXYTYWVJNWGY-UHFFFAOYSA-N	281.053	1.806	5	40	CDBB	
CCOC(=O)[C@]1(C)O[C@@H]1c1ccc([N+](=O)[O-])cc1	1564167	KPBGEZBSAVNMJI-ZYHUDNBSSA-N	251.238	1.988	5	40	CDBB	
COC(=O)[C@]1(CC[N+](=O)[O-])N=C(c2ccccc2)O[C@H]1C	8652767	DPLIQOVGJKEOPV-IINYFYTJSA-N	292.291	1.431	5	40	CDBB	
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)NCc1ccco1	7045070	ZCAKZLCJARFJDJ-SECBINFHSA-N	291.263	1.667	5	40	CDBB	
Nc1nc(N2CCc3sccc3C2)ncc1[N+](=O)[O-]	48554582	VLZPQLXZJWOMPG-UHFFFAOYSA-N	277.309	1.591	5	40	CDBB	
O=[N+]([O-])c1cccc2ncc(I)n12	89201807	GMKVLVQEHWMTAY-UHFFFAOYSA-N	289.032	1.847	5	40	CDBB	
COC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	5120666	IDXHGZLORRARMY-SECBINFHSA-N	288.325	1.216	5	40	CDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC(C1CC1)C1CC1	22357666	CJSRXJABTBEVOX-UHFFFAOYSA-N	291.307	1.061	5	40	CDBB	
O=[N+]([O-])c1ccc(SC2=NCCCN2)c([N+](=O)[O-])c1	1735872	REJMAHWFWFRYQH-UHFFFAOYSA-N	282.281	1.944	5	40	CDBB	
CCOC(=O)n1c(=O)oc2cc([N+](=O)[O-])ccc21	3897230	YYAUGJGUFPWELK-UHFFFAOYSA-N	252.182	1.507	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](OCCO)C1	80640883	DHXGDVSDEBVGBL-ZDUSSCGKSA-N	280.324	1.881	5	40	CDBB	
Cc1ccc([C@H](C)NC(=O)NCCCO)cc1[N+](=O)[O-]	84190192	DANUMHHODLXKFJ-JTQLQIEISA-N	281.312	1.646	5	40	CDBB	
CCOC(=O)CSc1nc2sccn2c1[N+](=O)[O-]	8317391	LTGRUWWVGMQKGI-UHFFFAOYSA-N	287.322	1.959	5	40	CDBB	
O=[N+]([O-])c1ccccc1NCC1(O)CCOCC1	69977944	GJKSPJKMOGZVDX-UHFFFAOYSA-N	252.270	1.548	5	40	CDBB	
CCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	34942290	AKLUFIBVEPVTIV-UHFFFAOYSA-N	283.309	1.914	5	40	CDBB	
CN1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1	38957335	DSXOAUWLUWNYKL-QPJJXVBHSA-N	289.335	1.818	5	40	CDBB	
C[C@@H]1C[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1	95442696	NQRDQNYDNKOGAJ-SKDRFNHKSA-N	263.297	1.845	5	40	CDBB	
CC(C)Cc1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1	19319536	YLSLCNJRHMLCEV-UHFFFAOYSA-N	287.431	1.894	5	40	CDBB	
O=[N+]([O-])c1ccc(Oc2ccc3nnnn3n2)c(Cl)c1	12911191	KMHFXZUMZNYGBQ-UHFFFAOYSA-N	292.642	1.873	5	40	CDBB	
COC(=O)[C@H]1O[C@H]1c1cc([N+](=O)[O-])ccc1OC	1704602	ZFSZGUBDAZQINV-UWVGGRQHSA-N	253.210	1.216	5	40	CDBB	
Cc1cc(S(=O)(=O)O)c([N+](=O)[O-])cc1[N+](=O)[O-]	2525027	DSLLXNHZBMUPOW-UHFFFAOYSA-N	262.199	1.058	5	40	CDBB	
O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@@H]1[N+](=O)[O-]	47298425	JTCYRMUNVAIOFA-VDTYLAMSSA-N	253.283	1.236	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)nc1	95349631	JDFFWDLFEARPMP-CHWSQXEVSA-N	292.339	1.025	5	40	CDBB	
CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	69902798	NSBLFSQGQVDZEH-KCJUWKMLSA-N	297.698	1.902	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(Nc2cnn(CC(N)=O)c2)c1	88701908	CNHDMMUUWKJHTH-UHFFFAOYSA-N	275.268	1.329	5	40	CDBB	
CCS(=O)(=O)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1	96510070	QKTNWWFCLNPQEH-UHFFFAOYSA-N	281.293	1.779	5	40	CDBB	
Cc1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1	5677456	MYDZRLWTEHOSAF-UHFFFAOYSA-N	293.308	1.752	5	40	CDBB	
C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)O	19423443	KJOBWQBDKFKRKL-IPWDFOCMSA-N	264.237	1.197	5	40	CDBB	
COc1ccc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1OC	94883	QQQDHBUWOFWZEF-RNCFNFMXSA-N	280.280	1.300	5	40	CDBB	
CCc1nc(N)nc(N)c1-c1ccc(OC)c([N+](=O)[O-])c1	1588898	ATKMTZQADBPXRV-UHFFFAOYSA-N	289.295	1.787	5	40	CDBB	
CCCCNC(=S)NNc1ccc([N+](=O)[O-])cn1	6569787	HRFNNUYGHIUVNC-UHFFFAOYSA-N	269.330	1.581	5	40	CDBB	
CN(C)C(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	57322765	LEBPHBAJOYTNEE-UHFFFAOYSA-N	291.351	1.895	5	40	CDBB	
CC(C)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	192649112	QUKAPWMCUGIWMD-VIFPVBQESA-N	272.326	1.918	5	40	CDBB	
Cc1ncc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)s1	195567265	WQQLVHPYLUXUTK-UHFFFAOYSA-N	293.304	1.995	5	40	CDBB	
COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1[N+](=O)[O-]	5378303	WSDOGQZHVFNAGE-UHFFFAOYSA-N	295.251	1.298	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(O)CC1	40525441	JKJYTBHMHYEGJK-UHFFFAOYSA-N	279.296	1.892	5	40	CDBB	
Cc1nn(C)c(C(=O)N2CCC[C@H](C)C2)c1[N+](=O)[O-]	375951	RZFMLOXCFJYBJZ-QMMMGPOBSA-N	266.301	1.509	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1NCCCO	4859638	MMDQHJZRSWSJHO-UHFFFAOYSA-N	292.251	1.846	5	40	CDBB	
C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1O	97235370	ICLOZMFKQFQVOM-LDYMZIIASA-N	279.296	1.020	5	40	CDBB	
O=C(O)CCCn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	408715542	BNRSFNHOHWEYGR-UHFFFAOYSA-N	297.189	1.597	5	40	CDBB	
CN(C)C[C@](C)(O)CNc1ccc(Cl)cc1[N+](=O)[O-]	89901374	JHUJLCUUDAPOHE-GFCCVEGCSA-N	287.747	1.973	5	40	CDBB	
Nc1nc(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1	90359949	UJVJYFUXELAXNM-UHFFFAOYSA-N	296.268	1.496	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NNc2ccccc2)cc1	5902180	NVHXJPZXPCSQIA-UHFFFAOYSA-N	293.304	1.900	5	40	CDBB	
CC(C)C(=O)C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21	5552104	YLCZXXUUMSAFRI-ZDUSSCGKSA-N	278.264	1.350	5	40	CDBB	
Cc1c(C(=O)O[C@H](C)C(=O)NC2CC2)cccc1[N+](=O)[O-]	5779463	NNVGBBUWVHLUFB-SECBINFHSA-N	292.291	1.727	5	40	CDBB	
CC(C)n1c2ccccc2c2nn3nnnc3nc21	2745920	OKKABTCPOPPCFW-UHFFFAOYSA-N	253.269	1.603	5	40	CDBB	
Cc1nc2cc([N+](=O)[O-])cc(NC3CC3)c2c(=O)n1C	6659460	WARDAUXDDIZERC-UHFFFAOYSA-N	274.280	1.724	5	40	CDBB	
CCCNC(=O)Cn1cc(Br)c([N+](=O)[O-])n1	40445641	XQXHQMPDBGIIDV-UHFFFAOYSA-N	291.105	1.080	5	40	CDBB	
NS(=O)(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F	575339243	BBBAKEULVULBDD-UHFFFAOYSA-N	270.188	1.261	5	40	CDBB	
CC(C)N1C[C@@H](Nc2ncccc2[N+](=O)[O-])CC1=O	60362903	XVXWYRFFJDDSKF-VIFPVBQESA-N	264.285	1.411	5	40	CDBB	
CC1(C)[C@H]([N+](=O)[O-])CN(Cc2ccccc2)C[C@H]1[N+](=O)[O-]	55002741	CHKBIURCLZRTMT-CHWSQXEVSA-N	293.323	1.819	5	40	CDBB	
O=C(O)[C@@]1(Cc2cccc([N+](=O)[O-])c2)CCCN1	4241060	OKQSSUZDNQXGEZ-LBPRGKRZSA-N	250.254	1.344	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cc(Cl)ccn1	96495450	RGEJHVRKEGTAJF-UHFFFAOYSA-N	295.686	1.307	5	40	CDBB	
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(C)n1	66247709	QKEWGIKMNAPFIG-UHFFFAOYSA-N	296.308	1.438	5	40	CDBB	
Cc1nn(CC(=O)N2CCC(C)CC2)c(C)c1[N+](=O)[O-]	3444013	QXYQOLLZADULOD-UHFFFAOYSA-N	280.328	1.667	5	40	CDBB	
COC(=O)[C@H]1CCCN1c1ccccc1[N+](=O)[O-]	39410900	ZKEIYKMRUDYLSA-LLVKDONJSA-N	250.254	1.737	5	40	CDBB	
CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCCC2)n1	5030163	WESGSTDVVBHHKK-UHFFFAOYSA-N	280.332	1.413	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCS(=O)CC2)c(Cl)c1	69587276	JCMXXNUKOSRVHN-UHFFFAOYSA-N	274.729	1.817	5	40	CDBB	
CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1	89064374	BHMNUDYYZPRWJV-UHFFFAOYSA-N	294.311	1.352	5	40	CDBB	
CCOC(=O)C(C)(C(=O)OCC)c1ccc([N+](=O)[O-])cc1	39216862	MOUBYACUXWWHSC-UHFFFAOYSA-N	295.291	1.979	5	40	CDBB	
CC(=O)Nc1ccc(CCC(=O)O)cc1[N+](=O)[O-]	96316055	XHHCCHPSJVQUGT-UHFFFAOYSA-N	252.226	1.570	5	40	CDBB	
NC(=O)c1cc([N+](=O)[O-])cnc1NCCc1ccccc1	19932073	WAFAVNNCRXMIGM-UHFFFAOYSA-N	286.291	1.743	5	40	CDBB	
Cc1cs/c(=N\S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]1	5392757	BCQPPYKZQMPFQR-UHFFFAOYSA-N	299.333	1.582	5	40	CDBB	
CN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])cc1	40476086	HHJJBCAMODARAT-UHFFFAOYSA-N	274.280	1.601	5	40	CDBB	
Cc1nonc1C(=O)OCc1cccc([N+](=O)[O-])c1C	95451089	HMWFSFSDFSLNFA-UHFFFAOYSA-N	277.236	1.952	5	40	CDBB	
Cc1nc2cc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])ccc2o1	47270606	KTWWXYHDTYRDEL-WCBMZHEXSA-N	261.237	1.740	5	40	CDBB	
O=C1CCCN1C(=O)COc1cc(F)ccc1[N+](=O)[O-]	3452139	FXTSLVOIPRKOHQ-UHFFFAOYSA-N	282.227	1.262	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(NCc2ccccc2)n1	5030717	RHILCTGZYTXVQH-UHFFFAOYSA-N	274.284	1.621	5	40	CDBB	
CCOc1cc(C(=O)N2CCC2)c([N+](=O)[O-])cc1OC	71034599	GGXOWCZHXVNAOF-UHFFFAOYSA-N	280.280	1.848	5	40	CDBB	
CC(=O)N[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1	96453552	RSNASFXSUHWINF-SNVBAGLBSA-N	281.287	1.839	5	40	CDBB	
O=c1c([N+](=O)[O-])c(Oc2cccnc2)nc2ccccn12	24059220	ATURRAXSRVUZBV-UHFFFAOYSA-N	284.231	1.790	5	40	CDBB	
CC[C@@H](C)NC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	28004740	DQNZNOMHYGLHNH-MRVPVSSYSA-N	293.279	1.417	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)N1CCC(c2ccccc2)=N1	12752878	FELTVYKZYKOVLL-UHFFFAOYSA-N	299.290	1.428	5	40	CDBB	
C[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	72094950	CNLQQXSVXDQOQH-GMSGAONNSA-N	278.264	1.504	5	40	CDBB	
CCOC(=O)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc([N+](=O)[O-])c1	97373404	MPZYGQRISHGQGJ-XQQFMLRXSA-N	383.360	2.909	5	40	CDBB	
O=C(NC[C@@]1(O)CCSC1)c1ccccc1[N+](=O)[O-]	75092047	KXLSNFFAZFUBTA-LBPRGKRZSA-N	282.321	1.193	5	40	CDBB	
C[C@](Cl)([C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96520271	DWHDECRZGHNLKB-NXEZZACHSA-N	293.728	1.628	5	40	CDBB	
C[C@@H]1COC[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1	96419102	JFFKXKXQCXQMLX-GHMZBOCLSA-N	278.308	1.773	5	40	CDBB	
COc1c(NC(C)=O)c2c(c([N+](=O)[O-])c1OC)C(=O)OC2	4805046	FJJDVXXCGAYAKG-UHFFFAOYSA-N	296.235	1.241	5	40	CDBB	
Cc1ccc(-c2nc(O)c3cnn(C)c3n2)cc1[N+](=O)[O-]	12772265	VUGDRCLCEOSSHF-UHFFFAOYSA-N	285.263	1.953	5	40	CDBB	
COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCOCC1	13825910	NZTUNGRLXGSAPE-UHFFFAOYSA-N	297.336	1.632	5	40	CDBB	
Cc1noc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1	20897902	HWHMXWCBHFYHOG-UHFFFAOYSA-N	290.279	1.790	5	40	CDBB	
C[C@@H](CO)Nc1c(Br)cncc1[N+](=O)[O-]	91485298	XWNRVMPZCWKWFD-YFKPBYRVSA-N	276.090	1.545	5	40	CDBB	
COC[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	32765436	HTAOQPVBLCUZKD-SSDOTTSWSA-N	278.268	1.236	5	40	CDBB	
NC(=O)C1(NCc2csc([N+](=O)[O-])c2)CCCCC1	78659160	HOTLDBIQLDQOKG-UHFFFAOYSA-N	283.353	1.934	5	40	CDBB	
O=C(CCn1ccc([N+](=O)[O-])n1)N1CCc2ccccc21	2778939	GHLNUIMFXZFYFA-UHFFFAOYSA-N	286.291	1.771	5	40	CDBB	
CC(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	39473726	DEBUYIPOYKBSHR-UHFFFAOYSA-N	258.299	1.423	5	40	CDBB	
CCCCN(C)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O	15206597	JQHBUVMJYHJDPD-UHFFFAOYSA-N	287.341	1.479	5	40	CDBB	
O=[N+]([O-])c1ccc2c(c1)CN(c1ncnc3[nH]cnc13)CC2	89807680	XKTGADPPBZWSOG-UHFFFAOYSA-N	296.290	1.824	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1Nc1ncc(C)c(=O)n1N	408980512	ROXWIKBQKSYJCV-UHFFFAOYSA-N	275.268	1.226	5	40	CDBB	
CSC[C@@H](CCO)Nc1nccc(C)c1[N+](=O)[O-]	77236872	CERBIVBZJIJHCQ-SECBINFHSA-N	271.342	1.824	5	40	CDBB	
O=C1C[C@H](C(=O)O)[C@@H](c2ccc([N+](=O)[O-])cc2)O1	85394882	XKPHQFZUQWQCRO-WCBMZHEXSA-N	251.194	1.284	5	40	CDBB	
O=[N+]([O-])c1cccc(NCc2nnnn2C2CC2)c1	72302140	FGEALVPNYHNWSV-UHFFFAOYSA-N	260.257	1.528	5	40	CDBB	
CSc1nc2oc3ccccc3c(=O)c2c(=O)n1C	5484134	HOKFCLSDCQGIGZ-UHFFFAOYSA-N	274.301	1.762	5	40	CDBB	
CCN(CC)C(=O)CN(C)c1ncccc1[N+](=O)[O-]	23623715	MUOZPAAIVBHBFM-UHFFFAOYSA-N	266.301	1.294	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCS(=O)(=O)C1	12981548	SIJQVFCWGQFXIC-QMMMGPOBSA-N	288.300	1.581	5	40	CDBB	
CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1	4771363	IKNVGMOPAYLZFM-UHFFFAOYSA-N	290.279	1.979	5	40	CDBB	
CN(Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	24585660	UQDPFOJHDQNWKR-UHFFFAOYSA-N	291.267	1.873	5	40	CDBB	
O=C(O)CCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	2035060	QZSZBSNFBWBTOS-BYPYZUCNSA-N	280.491	1.493	5	40	CDBB	
COCc1c(C(=O)O)nnn1-c1ccc([N+](=O)[O-])cc1	3844463	OXUWMMKMHDLEAO-UHFFFAOYSA-N	278.224	1.020	5	40	CDBB	
COc1c2c(cc3c1[C@@H]([C@@H](C)[N+](=O)[O-])N(C)CC3)OCO2	20410813	DMFKDBXYGPGBMW-PRHODGIISA-N	294.307	1.618	5	40	CDBB	biogenic
C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	3238454	BKXIJQBHXIPDSG-LDYMZIIASA-N	278.264	1.733	5	40	CDBB	
O=[N+]([O-])c1ccc(N[C@@H]2C=CS(=O)(=O)C2)c(Cl)c1	12805746	HRJZIMQUIVSQJJ-SSDOTTSWSA-N	288.712	1.971	5	40	CDBB	
Cc1nonc1NC(=O)Nc1ccc([N+](=O)[O-])cc1	5724561	SICZNSYFIVYIHW-UHFFFAOYSA-N	263.213	1.930	5	40	CDBB	
CC(C)n1cc(I)c([N+](=O)[O-])n1	72339301	VNIRSUXQUBIGBW-UHFFFAOYSA-N	281.053	1.977	5	40	CDBB	
CC1=C(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCO1	44790201	JDBZVLXMWFXHPY-UHFFFAOYSA-N	264.237	1.933	5	40	CDBB	
O=C(O)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	19473281	NXBDHVUCDYLYDJ-SNAWJCMRSA-N	264.237	1.199	5	40	CDBB	
O=C(O)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3153952	QIMSXEQJVQJYSC-UHFFFAOYSA-N	297.223	1.098	5	40	CDBB	
CC(=O)Oc1cc([N+](=O)[O-])c(OC(C)=O)c([N+](=O)[O-])c1	1593841	DFILCZZJQVBCSZ-UHFFFAOYSA-N	284.180	1.354	5	40	CDBB	
Cc1nn(C)cc1COC(=O)c1cccc([N+](=O)[O-])c1	2782992	ACMANRCPMMRWSN-UHFFFAOYSA-N	275.264	1.994	5	40	CDBB	
Cc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1[N+](=O)[O-]	25057463	JYZLZGIERVFRGR-UHFFFAOYSA-N	291.307	1.241	5	40	CDBB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)NCCCOC(C)C	2805186	BFXCEFOWNFCLGZ-UHFFFAOYSA-N	298.343	1.421	5	40	CDBB	
COCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	5687560	ANSOBSAQOLNDRM-UHFFFAOYSA-N	274.298	1.057	5	40	CDBB	
Cc1cc(N[C@@H](C(N)=O)C(C)C)ccc1[N+](=O)[O-]	92685105	DYIQPVAFJMMRDA-LLVKDONJSA-N	251.286	1.825	5	40	CDBB	
CCOC(=O)C1(O)CCN(c2ccc([N+](=O)[O-])cc2)CC1	75053511	ISFKFLCQXZWIRZ-UHFFFAOYSA-N	294.307	1.489	5	40	CDBB	
Cc1ccc(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-]	48517819	JPGRCJIWJCHZCH-UHFFFAOYSA-N	277.324	1.727	5	40	CDBB	
CCOCCOCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	48300633	KFLIDZFUJAXPJV-UHFFFAOYSA-N	282.296	1.895	5	40	CDBB	
CO[C@H](C)c1nc(Cn2ccc(=O)c([N+](=O)[O-])c2)cs1	96467981	CTBHHPWJMNWVAZ-MRVPVSSYSA-N	295.320	1.969	5	40	CDBB	
NC(=O)c1ccc(Sc2nccc(O)n2)c([N+](=O)[O-])c1	16384440	XSUDBOBWWJJZMA-UHFFFAOYSA-N	292.276	1.341	5	40	CDBB	
O=C1c2cccnc2C(=O)N1c1cccc([N+](=O)[O-])c1	70123	RJSLGLDNCFTFET-UHFFFAOYSA-N	269.216	1.790	5	40	CDBB	
COc1cc(N2CCCC2)c([N+](=O)[O-])cc1C(=O)O	45957605	ZUFDUGPJVBFXAS-UHFFFAOYSA-N	266.253	1.902	5	40	CDBB	
O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)c1ccco1	96436063	HOGPFKXEINSHAM-GFCCVEGCSA-N	290.275	1.580	5	40	CDBB	
NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	38039630	IVPWIJSCRFTASK-UHFFFAOYSA-N	281.087	1.005	5	40	CDBB	
Cc1c(CSC[C@H](O)CO)cccc1[N+](=O)[O-]	89540490	KBJDRSFYKMDDRS-SNVBAGLBSA-N	257.311	1.490	5	40	CDBB	
Cc1c(C(=O)N2CCOC[C@H]2C)cccc1[N+](=O)[O-]	25139839	ZCSBADZQCGKVPW-SECBINFHSA-N	264.281	1.764	5	40	CDBB	
O=C(O)/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	32561936	JKDKGEBQSCKPJN-ARJAWSKDSA-N	270.628	1.828	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1Cn1c([N+](=O)[O-])cnc1C	3627139	GVVWXUGOEQQQQC-UHFFFAOYSA-N	266.217	1.019	5	40	CDBB	
O=C(CN1CCOCC1)Nc1cc([N+](=O)[O-])ccc1Cl	23485596	HEZMJXOBCDXLTA-UHFFFAOYSA-N	299.714	1.519	5	40	CDBB	
CN(C)c1ccccc1CNc1ncc([N+](=O)[O-])c(N)n1	97105416	STTUGXJJSWRAQJ-UHFFFAOYSA-N	288.311	1.645	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnccn1	97380016	FLHWHCQUZZAVGU-UHFFFAOYSA-N	258.237	1.946	5	40	CDBB	
O=C(COC(=O)C1CCC1)Nc1ccccc1[N+](=O)[O-]	6640007	CRFNQZAPZCDOSY-UHFFFAOYSA-N	278.264	1.877	5	40	CDBB	
CCCCNC(=O)COc1ccc(OC)cc1[N+](=O)[O-]	7737770	YRJZQMKYZAAUJK-UHFFFAOYSA-N	282.296	1.899	5	40	CDBB	
COc1cc(N2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-]	83843979	DSQMLFCHABBBES-LBPRGKRZSA-N	293.323	1.660	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C)c1OCCn1cncn1	69740683	RUIZTBSWHNXPEJ-UHFFFAOYSA-N	262.269	1.882	5	40	CDBB	
CCc1ccc(C(=O)/N=c2/[nH]cc(C)[nH]2)cc1[N+](=O)[O-]	95429566	SVWWLNSYOMNUOQ-UHFFFAOYSA-N	274.280	1.863	5	40	CDBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)NC2CCCC2)c1	134001306	ZWSWCZSZJPNADU-UHFFFAOYSA-N	284.337	1.957	5	40	CDBB	
COCc1nn(Cc2ccc([N+](=O)[O-])cc2F)c(=O)o1	96469852	BOJYAKAHBSUHQW-UHFFFAOYSA-N	283.215	1.078	5	40	CDBB	
Cc1ccc(OCC(=O)NC2CCCC2)c([N+](=O)[O-])n1	12686665	AJRVFSMNLGNCQM-UHFFFAOYSA-N	279.296	1.736	5	40	CDBB	
COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1C	306063	IOAAOYDYYPFHPY-UHFFFAOYSA-N	266.253	1.795	5	40	CDBB	
Cc1ccc(C(=O)NC2=NCCS2)cc1[N+](=O)[O-]	513856	DKCCMCFOWCUTIH-UHFFFAOYSA-N	265.294	1.736	5	40	CDBB	
COc1cc(C(=O)O)c(OC(C)=O)c([N+](=O)[O-])c1	57340112	XXPSFLXXNCHTDP-UHFFFAOYSA-N	255.182	1.227	5	40	CDBB	
O=C(O)CCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2547888	SWEYUZMSQYUAIL-UHFFFAOYSA-N	254.198	1.910	5	40	CDBB	in-vitro
Cc1nn(CCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-]	2778763	KDIJDUVAOGSCSD-NXEZZACHSA-N	296.327	1.126	5	40	CDBB	
CCOC(=O)c1cc2c([N+](=O)[O-])ccc(O)c2[nH]1	21982371	HXABICADGMAEEA-UHFFFAOYSA-N	250.210	1.958	5	40	CDBB	
CNC(=O)c1cc2cc([N+](=O)[O-])cc(C)c2oc1=O	9236163	FCGXMBZNRRUECR-UHFFFAOYSA-N	262.221	1.369	5	40	CDBB	
CNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1	4305997	PXLUTEXFMZKVDR-UHFFFAOYSA-N	266.305	1.753	5	40	CDBB	
O=C1NCCC[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1	65501819	OXPWUOVECZVPQJ-VIFPVBQESA-N	292.320	1.895	5	40	CDBB	
CCN(C)c1ccccc1CNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	71883512	UVSWUELWOYFFON-YPMHNXCESA-N	277.324	1.424	5	40	CDBB	
C[C@H](C(=O)O)n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	408716938	SXAKJXZAWMGANG-SCSAIBSYSA-N	283.162	1.378	5	40	CDBB	
COC(=O)c1cc(Br)c([N+](=O)[O-])o1	85395541	VIDRMCCYKNBOSD-UHFFFAOYSA-N	250.004	1.737	5	40	CDBB	
COc1ccccc1-c1c([N+](=O)[O-])cnn1CCO	96527506	UKSZIERYSGAMED-UHFFFAOYSA-N	263.253	1.459	5	40	CDBB	
NC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1	24991397	QYKPZSQESDIIHM-UHFFFAOYSA-N	292.276	1.403	5	40	CDBB	
CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@@H]1O	72301750	DYYJVADFYIMGBM-RNCFNFMXSA-N	293.323	1.527	5	40	CDBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)c2ncc[nH]2)c1	178115743	NZMIQFOHYAKLMV-UHFFFAOYSA-N	267.266	1.292	5	40	CDBB	
O=C1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])c2ccccc2N1	72288083	XZUIIJZUZYALHZ-GZMMTYOYSA-N	275.264	1.027	5	40	CDBB	
O=C1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CN1	97234969	ZTZAASHEFUFHSL-RXMQYKEDSA-N	257.196	1.173	5	40	CDBB	
COc1ccc(CNc2nc(C)nn2C)cc1[N+](=O)[O-]	162430552	NOGPHGHAJJGZKA-UHFFFAOYSA-N	277.284	1.652	5	40	CDBB	
O=C(OC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1	439420	XOXREGFRGZVOJG-LLVKDONJSA-N	251.238	1.931	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCO3)s1	54389818	VSJOBCAYYSTIBW-UHFFFAOYSA-N	270.310	2.000	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(C(=O)OC)cc1NC(C)=O	4692194	FVRYFMFWFRNCHO-UHFFFAOYSA-N	296.235	1.126	5	40	CDBB	
O=C(CCn1ccc([N+](=O)[O-])n1)NCc1ccco1	2777667	UGAARYAZJWIGCA-UHFFFAOYSA-N	264.241	1.091	5	40	CDBB	
CCn1c(=O)c([N+](=O)[O-])c(NC[C@@H](C)O)c2ccccc21	5529175	ZDFPPKWVGZXPEO-SECBINFHSA-N	291.307	1.722	5	40	CDBB	
CCOc1cc(-n2cnc(C(N)=O)c2)ccc1[N+](=O)[O-]	92651880	KMGKFNAHWBZBTA-UHFFFAOYSA-N	276.252	1.278	5	40	CDBB	
CCn1c(=O)c2c(O)cc(=O)oc2c2ccccc21	100294755	QXLFCAOVWBNKOW-UHFFFAOYSA-N	257.245	1.833	5	40	CDBB	
Cc1ccc(NC(=O)Cn2ccsc2=N)cc1[N+](=O)[O-]	7239067	HXIBILTYPHXZCX-UHFFFAOYSA-N	292.320	1.884	5	40	CDBB	
COC(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1	48983041	DHEGGSPOZCENFE-UHFFFAOYSA-N	280.284	1.633	5	40	CDBB	
Cn1cnnc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	5126807	HAEKUSUCDLIKNS-UHFFFAOYSA-N	293.308	1.454	5	40	CDBB	
CS(=O)(=O)Cc1ccc(Br)cc1[N+](=O)[O-]	89157240	MQXYYBSWZBAOEQ-UHFFFAOYSA-N	294.126	1.902	5	40	CDBB	
CCNC(=O)NC(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1	10797858	VJYJXAMJUMURCT-QMMMGPOBSA-N	281.268	1.208	5	40	CDBB	
O=c1c([N+](=O)[O-])c(N2CCCCC2)nc2ccccn12	24056984	OJDIDHPSNYLFQS-UHFFFAOYSA-N	274.280	1.593	5	40	CDBB	
Cc1cnc(OCCN2CCSCC2)c([N+](=O)[O-])c1	96488988	NAKVPGNMYOYKOG-UHFFFAOYSA-N	283.353	1.726	5	40	CDBB	
CC(C)NC(=O)CN1CCc2cc([N+](=O)[O-])ccc21	8779933	LCNXLAIDVFYGKW-UHFFFAOYSA-N	263.297	1.482	5	40	CDBB	
CC(=O)c1ccc(NCCc2n[nH]c(C)n2)c([N+](=O)[O-])c1	89497121	IXCKFWWLMZNPKL-UHFFFAOYSA-N	289.295	1.879	5	40	CDBB	
O=C(CSc1nc[nH]n1)Nc1ccc([N+](=O)[O-])cc1O	409412315	ILTNIUASEQRGNS-UHFFFAOYSA-N	295.280	1.149	5	40	CDBB	
Cn1ccnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1	77209553	ZKQAPSLFPBPRJC-UHFFFAOYSA-N	287.323	1.655	5	40	CDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)n2ccc(C3CC3)n2)c1	36612371	UWBOLEMCKAOBJO-UHFFFAOYSA-N	293.304	1.906	5	40	CDBB	
CCCCn1ccc2nc3ccn(N)c(=O)c3cc2c1=O	40398605	XZBRESZLRCRVRX-UHFFFAOYSA-N	284.319	1.225	5	40	CDBB	
O=[N+]([O-])c1ccc(OCCC2CCNCC2)nc1	42774141	QQPDKJOPBGSSTE-UHFFFAOYSA-N	251.286	1.758	5	40	CDBB	
CN(C)n1ccc2nc3ccn(C4CC4)c(=O)c3cc2c1=O	40398656	JLHJLYKANGNVLJ-UHFFFAOYSA-N	296.330	1.244	5	40	CDBB	
O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H]1CC=CCC1	96452619	KVPJHEUQECDKPK-SECBINFHSA-N	266.257	1.086	5	40	CDBB	
COC1(CNCc2cccc([N+](=O)[O-])c2)CCOCC1	95431274	PALWJAIIKCQHIO-UHFFFAOYSA-N	280.324	1.880	5	40	CDBB	
Cc1cc(OC(=O)c2ccco2)c([N+](=O)[O-])c(=O)[nH]1	4248401	VVZFFCJUOJVJBY-UHFFFAOYSA-N	264.193	1.404	5	40	CDBB	
O=C1NC(=S)N/C1=C/C=C/c1ccccc1[N+](=O)[O-]	100475087	XLIKLFLTCXHQKN-USXIXMCRSA-N	275.289	1.496	5	40	CDBB	
O=C(NC[C@H]1CCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc12	32796721	OKLNXPNMSVTTLK-SECBINFHSA-N	290.279	1.380	5	40	CDBB	
Cc1cc(NC(=O)CNc2cccc([N+](=O)[O-])c2)no1	8193240	FYCWLIBMZSBFGM-UHFFFAOYSA-N	276.252	1.942	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(F)c(Cl)c1	2478219	PNRYWTKUHGDYHT-UHFFFAOYSA-N	299.649	1.618	5	40	CDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	2771756	ARNQGGVJMQDMBG-KWQFWETISA-N	299.670	1.845	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])c2c(Br)[nH]nc2c1	14983796	XDVGNMVCHCUSLI-UHFFFAOYSA-N	286.041	1.932	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1CN1CCOCC1	19801313	MPIVYLWSZQETGB-UHFFFAOYSA-N	252.270	1.436	5	40	CDBB	
COc1cc([N+](=O)[O-])cc(C(=O)O)c1OC(F)F	78406267	ZUDIGDTWXLKFCK-UHFFFAOYSA-N	263.152	1.903	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCCC1	49419908	GRDBWPWIIGMYON-UHFFFAOYSA-N	252.274	1.159	5	40	CDBB	
O=c1cc(O)nc(SCc2cccc([N+](=O)[O-])c2)[nH]1	16399886	YEVHUZOZNJBWTO-UHFFFAOYSA-N	279.277	1.676	5	40	CDBB	
COc1cc2c(c([N+](=O)[O-])c1[N+](=O)[O-])O[C@H](C)C2	4425935	XXMVBFCCFBFSSJ-RXMQYKEDSA-N	254.198	1.835	5	40	CDBB	
O=C(C[C@@H]1SCCNC1=O)Nc1ccc([N+](=O)[O-])cc1	4736982	BAVCBFHHIXRAFP-JTQLQIEISA-N	295.320	1.155	5	40	CDBB	
O=C1CCC[C@@H]2[C@@H]3CCC[N@+]4([O-])CCC[C@@H](CN12)[C@@H]34	247443865	XVPBINOPNYFXID-UOZBHZCFSA-N	264.369	1.884	5	40	CDBB	biogenic,in-vitro
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(F)cc1F	33460	LTGKKQODWSISLI-UHFFFAOYSA-N	282.206	1.708	5	40	CDBB	
O=[N+]([O-])c1c(CO)nc2ccc(Br)cn12	20358132	XFCDHVDQDPRMJY-UHFFFAOYSA-N	272.058	1.497	5	40	CDBB	
C[C@H](Cn1ccnc1)NC(=O)Cc1ccccc1[N+](=O)[O-]	42532940	FWEXCVQQHLZNEO-LLVKDONJSA-N	288.307	1.539	5	40	CDBB	
CCn1ccc(=O)nc1SCCn1ccc([N+](=O)[O-])n1	95407114	UOMQZAWUULNYIO-UHFFFAOYSA-N	295.324	1.160	5	40	CDBB	
Cc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])o1)C=C(C(=O)O)N2	102334129	KISNDPMPHMKLHM-SSDOTTSWSA-N	291.223	1.071	5	40	CDBB	
CCNC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1	3376841	SFHSHOCJVFIQTQ-VOTSOKGWSA-N	278.264	1.287	5	40	CDBB	
COC(COCCNc1nccc(C)c1[N+](=O)[O-])OC	97104035	XTQVVUSYQNUEQJ-UHFFFAOYSA-N	285.300	1.346	5	40	CDBB	
COC(=O)COc1ccc([N+](=O)[O-])cc1C(C)=O	20759774	NMIKEWWNCIQHNK-UHFFFAOYSA-N	253.210	1.349	5	40	CDBB	
COCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	2081184	OUGZXDRIBKZGAH-UHFFFAOYSA-N	258.661	1.624	5	40	CDBB	
CNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	48805970	RFVGVTONLPNIGA-PSASIEDQSA-N	297.698	1.303	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCN(c3ncccn3)CC2)cc1	9470768	IAPJZWADJPQWSQ-UHFFFAOYSA-N	285.307	1.711	5	40	CDBB	
Cc1cnc(N2CCC(n3ccnn3)CC2)c([N+](=O)[O-])c1	95999394	PISKKFIYYODBDY-UHFFFAOYSA-N	288.311	1.731	5	40	CDBB	
CCOC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	45953492	HVQJOUOSTPGHRS-JTQLQIEISA-N	292.291	1.819	5	40	CDBB	
Cc1ccnc(N(C)CCn2cnnc2)c1[N+](=O)[O-]	96466167	CAYUCYMQEHYVBT-UHFFFAOYSA-N	262.273	1.026	5	40	CDBB	
C[C@H](C(=O)O)n1nc([N+](=O)[O-])cc1Br	953107845	PWFMQPIGJJKLQY-GSVOUGTGSA-N	264.035	1.199	5	40	CDBB	
COc1ccc(OC)c(-n2cnc([N+](=O)[O-])n2)c1	35327625	YJFSJKIAYGTIPP-UHFFFAOYSA-N	250.214	1.193	5	40	CDBB	
C[C@H]1CNCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	54375299	IORQFQFFZQLXIQ-QMMMGPOBSA-N	266.257	1.301	5	40	CDBB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCC[N+](C)(C)C)C2=O	104391581	LVXBKXCSVKURTI-MLGOLLRUSA-N	281.420	1.894	5	40	CDBB	
O=[N+]([O-])c1cccnc1NNc1ncccc1[N+](=O)[O-]	4457481	PRXGDUZUPHGPCZ-UHFFFAOYSA-N	276.212	1.732	5	40	CDBB	
COCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4710107	LLMVRHYTUFDKOG-UHFFFAOYSA-N	255.230	1.951	5	40	CDBB	
CC[C@@H]1CCCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	195531482	WSCOTZVHVRZXJG-TZMCWYRMSA-N	296.371	1.807	5	40	CDBB	
CC[C@H]([C@@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	96519559	FBZARXJSNMVVIV-NEPJUHHUSA-N	287.337	1.842	5	40	CDBB	
COC(=O)c1cn(Cc2ccc(F)cc2)nc1[N+](=O)[O-]	675032059	QXGSDQRTRUDURU-UHFFFAOYSA-N	279.227	1.765	5	40	CDBB	
CN(CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1	57326846	WRAYKIPWXIRUPO-UHFFFAOYSA-N	279.340	1.941	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H]1CCCCC1=O	58324453	HQFIMEVOEYTOQK-LLVKDONJSA-N	281.268	1.236	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(=O)NC2CCC(C)CC2)nn1C	2781110	OCYPAGKHCDUEML-UHFFFAOYSA-N	280.328	1.945	5	40	CDBB	
Cc1c[nH]/c(=N/C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]1	95429570	NJNKBHWPPVDTJX-UHFFFAOYSA-N	274.280	1.620	5	40	CDBB	
CCN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1	71572167	JGXGVTLTFVHDSZ-UHFFFAOYSA-N	250.302	1.319	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1	42989236	SWMSMHQVJZJQPD-UHFFFAOYSA-N	260.253	1.738	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCNC(C)=O	252478968	AYDUYXXPWDNULV-UHFFFAOYSA-N	295.295	1.238	5	40	CDBB	
Nc1cc(N)nc(Sc2ccc(C=O)cc2[N+](=O)[O-])n1	16384703	QRCAVJBWALPCLN-UHFFFAOYSA-N	291.292	1.513	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1Cc1nc2ccccc2o1	31672159	OSBVHTWRYIDBLW-UHFFFAOYSA-N	271.232	1.946	5	40	CDBB	
CCn1c(C)nc([N+](=O)[O-])c1I	157880	FWPDXKAPOBVGQT-UHFFFAOYSA-N	281.053	1.724	5	40	CDBB	
Nc1nc(N[C@H]2COc3ccccc32)ncc1[N+](=O)[O-]	58545027	MKFDVXPEMPPRJM-QMMMGPOBSA-N	273.252	1.513	5	40	CDBB	
CC1=CC[C@H]2C(=O)N(CC[N+](C)(C)C)C(=O)[C@H]2C1	104388131	YXVGUNYRDCAJEU-NEPJUHHUSA-N	251.350	1.034	5	40	CDBB	
COC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C	4524594	KKSNSQGQRJYHLX-MRVPVSSYSA-N	252.270	1.668	5	40	CDBB	
COCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	25131257	JXCCRHOHVNSGQP-VIFPVBQESA-N	284.337	1.838	5	40	CDBB	
CCOC(=O)/C=C1/Nc2ccc([N+](=O)[O-])cc2NC1=O	104209602	SITGISNZILCGRU-UXBLZVDNSA-N	277.236	1.406	5	40	CDBB	
O=C(O)CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1	116351744	ZJZPCJMONVGLPP-UHFFFAOYSA-N	293.323	1.582	5	40	CDBB	
O=C(O)[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-]	22177309	RYEXOGQBKUDZDQ-JTQLQIEISA-N	264.237	1.284	5	40	CDBB	
CCN(C1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	12823520	NOAVLWWEXVARMR-UHFFFAOYSA-N	270.310	1.768	5	40	CDBB	
CCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N	4017744	RWXWZPCRPHKKCU-UHFFFAOYSA-N	282.256	1.615	5	40	CDBB	
C[C@H](CN1CCN(C)CC1)Nc1ccc(F)cc1[N+](=O)[O-]	69847261	RYYVAXVWKNRPBP-LLVKDONJSA-N	296.346	1.782	5	40	CDBB	
COC(=O)c1ccc(-c2noc([C@H]3C[C@@H]3[N+](=O)[O-])n2)cc1	75610050	TUWJPKRBBUWBME-UWVGGRQHSA-N	289.247	1.656	5	40	CDBB	
CC(C)(CNc1ccc([N+](=O)[O-])cn1)N1CCOCC1	12772356	FROMGHCADCLDFG-UHFFFAOYSA-N	280.328	1.513	5	40	CDBB	
Cc1ccnn1CCCNC(=O)c1ccc([N+](=O)[O-])cc1	2796513	IXEDQDJWDDJQQF-UHFFFAOYSA-N	288.307	1.920	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])nn1Cc1ccc(F)cc1	3311657	NQQGRAOZVFMPRY-UHFFFAOYSA-N	265.200	1.677	5	40	CDBB	
CN(C1CCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	95433834	LBAQGJQZUCAMBE-UHFFFAOYSA-N	284.337	1.909	5	40	CDBB	
COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccnn2C)c1	97082377	KZKROLZGCLNTSG-UHFFFAOYSA-N	290.279	1.727	5	40	CDBB	
CCOc1ccc(-c2c([N+](=O)[O-])cnn2CCO)cc1	96527502	JVKYILVVLSQSDJ-UHFFFAOYSA-N	277.280	1.849	5	40	CDBB	
CS(=O)(=O)c1cc([N+](=O)[O-])c(-n2ccnc2)s1	96501495	CAFDGZYDZVNZKB-UHFFFAOYSA-N	273.295	1.246	5	40	CDBB	
Nc1nc(NCCc2cccs2)ncc1[N+](=O)[O-]	48545442	LEICSEVHRZSIHH-UHFFFAOYSA-N	265.298	1.683	5	40	CDBB	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CC1	2512848	DSYSCGDVEQXZJR-UHFFFAOYSA-N	276.701	1.689	5	40	CDBB	
O=C(NCc1nnc2n1CCC2)c1ccc([N+](=O)[O-])cc1	12779958	DRXDRCPSYVOQFR-UHFFFAOYSA-N	287.279	1.063	5	40	CDBB	
O=C(NCc1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-]	6413982	MENUYNAZRLUQPB-UHFFFAOYSA-N	264.216	1.387	5	40	CDBB	
O=C(NCCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1	17799306	AUJZRTVSWXHCOT-UHFFFAOYSA-N	291.307	1.337	5	40	CDBB	
O=C(NN1Cc2ccccc2C1)c1ccc([N+](=O)[O-])c(O)c1	89903322	DOEIDIDRUWIXDY-UHFFFAOYSA-N	299.286	1.961	5	40	CDBB	
O=[N+]([O-])c1cnc(F)c(I)c1	8698215	DRLAIGYCHFKUKL-UHFFFAOYSA-N	267.985	1.734	5	40	CDBB	
CC(=O)OC[C@H]([C@H](OC(C)=O)c1ccccc1)[N+](=O)[O-]	5166186	AYBALPYBYZFKDS-CHWSQXEVSA-N	281.264	1.499	5	40	CDBB	
COC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	5669547	SLXSIPSSGHZDGK-UHFFFAOYSA-N	292.247	1.144	5	40	CDBB	
CCc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OC)CC1=O	226314668	YEKWWNKTIZAFGA-SNVBAGLBSA-N	292.291	1.683	5	40	CDBB	
O=[N+]([O-])c1cc2c(c(CN3CCOCC3)c1)OCOC2	20533497	QAXZDCDTAULFST-UHFFFAOYSA-N	280.280	1.294	5	40	CDBB	
O=[N+]([O-])C[C@@H](OCCCCO)C(Cl)(Cl)Cl	2031762	GSBRMHMSHHQZSN-ZCFIWIBFSA-N	280.535	1.791	5	40	CDBB	
CCS(=O)(=O)N(C)C(=O)c1cccc([N+](=O)[O-])c1C	58432132	IJONUBKSWDSFLN-UHFFFAOYSA-N	286.309	1.325	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]nc([N+](=O)[O-])c2c1	28540381	KOAHZRIVRRKQJP-UHFFFAOYSA-N	253.130	1.288	5	40	CDBB	
COC(=O)c1ccc(Br)c(N)c1[N+](=O)[O-]	44857674	MCEBXXSZFFMJLM-UHFFFAOYSA-N	275.058	1.726	5	40	CDBB	
CC(C)(CO)Nc1ccc(C(=O)O)cc1[N+](=O)[O-]	42783970	OUWNOYCMJMLCPU-UHFFFAOYSA-N	254.242	1.476	5	40	CDBB	
O=[N+]([O-])c1cc(Br)ccc1N1CC(O)C1	68902776	ICFPHHYCCPHVCJ-UHFFFAOYSA-N	273.086	1.538	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(F)cc1	376512	FVWUGSRHTMXBRH-UHFFFAOYSA-N	278.243	1.878	5	40	CDBB	
Cc1c(CSc2n[nH]c(=O)n2C)cccc1[N+](=O)[O-]	42152828	VLMRHQWEWNTLDP-UHFFFAOYSA-N	280.309	1.617	5	40	CDBB	
NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	89091784	GNMJJMKZNVAKPG-SKDRFNHKSA-N	299.352	1.001	5	40	CDBB	
Cc1[nH]nc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1[N+](=O)[O-]	58217758	CIQHCCUPUWAKSM-ZJUUUORDSA-N	294.311	1.410	5	40	CDBB	
CN1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1	69420654	WUOQJFXIQASTFF-HWKANZROSA-N	293.298	1.521	5	40	CDBB	
Cc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)no1	97096134	FXDJQBKIRAUTRG-UHFFFAOYSA-N	291.267	1.916	5	40	CDBB	
COC(=O)CN1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1	88699955	LBTOCBPRUOZTHQ-UHFFFAOYSA-N	293.323	1.198	5	40	CDBB	
CCc1ccc(OCCCS(C)(=O)=O)c([N+](=O)[O-])c1	76021680	GMULZSUFUGSATG-UHFFFAOYSA-N	287.337	1.971	5	40	CDBB	
CCS(=O)(=O)CC(=O)c1ccc([N+](=O)[O-])cc1	81907198	MMYBOAIKRSHYLV-UHFFFAOYSA-N	257.267	1.212	5	40	CDBB	
CC(=O)NCCCCCNc1ccc([N+](=O)[O-])c(N)c1	5260751	NDLDGOBRPZCTKD-UHFFFAOYSA-N	280.328	1.895	5	40	CDBB	
O=[N+]([O-])c1cccnc1N1CCN(Cc2cccnc2)CC1	23043539	XPOSHNOAEIUJKD-UHFFFAOYSA-N	299.334	1.707	5	40	CDBB	
CC(C)CNCCOC(=O)c1ccc([N+](=O)[O-])cc1	1710398	JRMGHFZZUAOBNX-UHFFFAOYSA-N	266.297	1.997	5	40	CDBB	
Nc1cc(I)cc([N+](=O)[O-])c1	1569611	BKYNSFHBQVINES-UHFFFAOYSA-N	264.022	1.782	5	40	CDBB	in-vitro
Cc1nn(C)c(C(=O)N2CCCC[C@@H]2C)c1[N+](=O)[O-]	2776921	GQSQUKXQNJCEOQ-QMMMGPOBSA-N	266.301	1.651	5	40	CDBB	
CC1=C([N+](=O)[O-])[C@H](c2ccc(O)cc2)N(C)C(=O)N1C	5416037	ATPWSBIKKXIXDH-LBPRGKRZSA-N	277.280	1.939	5	40	CDBB	
COc1cc(Cn2cnc([N+](=O)[O-])n2)ccc1SC	68051084	ZCFHBOIIWSDWMF-UHFFFAOYSA-N	280.309	1.965	5	40	CDBB	
C[C@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	72094951	CNLQQXSVXDQOQH-OIBJUYFYSA-N	278.264	1.504	5	40	CDBB	
Cc1ccc([C@@H](C)NC(=O)NCCCO)cc1[N+](=O)[O-]	84190191	DANUMHHODLXKFJ-SNVBAGLBSA-N	281.312	1.646	5	40	CDBB	
CC(C)C[C@H](C)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	89802401	KVYJMUIXEXZRCQ-NSHDSACASA-N	295.339	1.650	5	40	CDBB	
COc1cc([N+](=O)[O-])cc(/C=C2\N=C(S)NC2=O)c1O	16194933	BBKOXHZSNGEVIX-CLTKARDFSA-N	295.276	1.066	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)C(=O)O	42701933	DXLTXNVGZVZKCW-VIFPVBQESA-N	280.280	1.696	5	40	CDBB	
O=[N+]([O-])c1cc(P(=O)(O)O)c(Cl)cc1Cl	1725602	LOMXWGRUTBKIEA-UHFFFAOYSA-N	271.980	1.705	5	40	CDBB	
O=C(CCn1ccc([N+](=O)[O-])n1)NC1CCCC1	2777996	AXGLYXVUENHUIF-UHFFFAOYSA-N	252.274	1.240	5	40	CDBB	
COc1nc(N2C[C@@H](C)C[C@@H](C)C2)nc(N)c1[N+](=O)[O-]	4140240	IHDBJGICRDQWMO-OCAPTIKFSA-N	281.316	1.458	5	40	CDBB	
CCc1nonc1NC(=O)c1ccccc1[N+](=O)[O-]	16753449	SSRGTWXORRQHAB-UHFFFAOYSA-N	262.225	1.793	5	40	CDBB	
COCC(=O)N1CCCc2c1cccc2[N+](=O)[O-]	95973894	FBKQYPFWDNKVCB-UHFFFAOYSA-N	250.254	1.520	5	40	CDBB	
O=C(O)Cn1nc(-c2ccc([N+](=O)[O-])cc2Cl)oc1=O	40448110	WVYRFHWQKYSXTH-UHFFFAOYSA-N	299.626	1.150	5	40	CDBB	
CSc1ccc(OCCn2cnc([N+](=O)[O-])n2)cc1	96430145	XLFLTXKXHQGAMG-UHFFFAOYSA-N	280.309	1.987	5	40	CDBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccccn1	23224751	IJOXZDVXUCYFAJ-UHFFFAOYSA-N	298.258	1.655	5	40	CDBB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	100500154	SHPJSIUHFNHXFW-WTTBSCSTSA-N	284.271	1.906	5	40	CDBB	
Cc1c(C(=O)N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	3161139	LZZMXNKBWKDACS-UHFFFAOYSA-N	253.214	1.513	5	40	CDBB	
CCCCn1nnnc1NCc1cccc([N+](=O)[O-])c1	7262204	CGXGRDBSOPAUDP-UHFFFAOYSA-N	276.300	1.994	5	40	CDBB	
C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)O1	12539229	HRMKSEQWKBYFGC-DTORHVGOSA-N	279.296	1.307	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCCCC1	2779151	CCIZPSZFLSXTBF-UHFFFAOYSA-N	266.301	1.630	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)OCC1(C)COC1	49017272	QQOJCZPPHBNRFH-UHFFFAOYSA-N	281.264	1.797	5	40	CDBB	
COc1ccc(Cn2cccc([N+](=O)[O-])c2=O)nc1	95941667	FYYVZUHACBAKMF-UHFFFAOYSA-N	261.237	1.208	5	40	CDBB	
O=[N+]([O-])c1ccc(O)c(CSC2=NCCCN2)c1	19866781	VITXDCICEZJXRL-UHFFFAOYSA-N	267.310	1.883	5	40	CDBB	
O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12	169684980	KSKYUERSKUVUJX-ZFWZSOMGSA-N	299.286	1.411	5	40	CDBB	
Cc1c(NC(=O)N2CCOCC2)cccc1[N+](=O)[O-]	5921590	SDHJCXJYJCTGDR-UHFFFAOYSA-N	265.269	1.767	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2	29749557	QHBQTEOMNSKVAY-UHFFFAOYSA-N	275.220	1.403	5	40	CDBB	
CCOC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	20135435	UWNORKCNWOIFHH-SNVBAGLBSA-N	279.296	1.769	5	40	CDBB	
CCc1nc2n(n1)[C@@H](O)c1cc([N+](=O)[O-])ccc1S2	537458	RJKILNTWEYTIDN-JTQLQIEISA-N	278.293	1.753	5	40	CDBB	
Cc1ccnc(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])n1	6223456	NQHGTAIWPSYUNU-UHFFFAOYSA-N	290.304	1.943	5	40	CDBB	
C[C@H]1CN(c2c(C(=O)O)cccc2[N+](=O)[O-])CCN1	6733651	KYYUCJDXASXGPX-QMMMGPOBSA-N	265.269	1.091	5	40	CDBB	
COC(=O)C(C)(C)NC(=O)c1csc([N+](=O)[O-])c1	44489013	DWCPHOPQKKTMKL-UHFFFAOYSA-N	272.282	1.338	5	40	CDBB	
CN(CCn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1	95414713	FDSNKOZEPCKSLE-UHFFFAOYSA-N	273.292	1.893	5	40	CDBB	
CS(=O)(=O)c1ccc(CCC(=O)O)c([N+](=O)[O-])c1	228951366	OFLRLJYIHYVQNS-UHFFFAOYSA-N	273.266	1.016	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(N)cc1Br	238367008	GHPPIONEILHXAG-UHFFFAOYSA-N	275.058	1.726	5	40	CDBB	
COC(=O)c1ccc(-c2noc([C@H]3C[C@H]3[N+](=O)[O-])n2)cc1	75610057	TUWJPKRBBUWBME-VHSXEESVSA-N	289.247	1.656	5	40	CDBB	
Cc1c(C(=O)NC[C@@H]2CCCO2)cccc1[N+](=O)[O-]	321541	PUANBFSMGODXDV-JTQLQIEISA-N	264.281	1.812	5	40	CDBB	
O=C(OC[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3153491	BBTPSOICOSFRAD-NSHDSACASA-N	296.235	1.839	5	40	CDBB	
O=C(O)[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1	37563173	OUKNJJYTMXYLOZ-ZETCQYMHSA-N	270.266	1.346	5	40	CDBB	
O=C(OCCO)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	32823653	WKQSJONPMDLMDT-UHFFFAOYSA-N	280.280	1.344	5	40	CDBB	
O=[N+]([O-])c1cccc2cc(S(=O)(=O)O)ccc12	1669717	ZAPHEIOXULZTDR-UHFFFAOYSA-N	253.235	1.995	5	40	CDBB	
CCN(CC)C[C@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C	2781227	HHGUJWKLGXDIEV-VIFPVBQESA-N	297.359	1.097	5	40	CDBB	
CC(=O)C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=O	43224402	HNIDIDWGIAFXTP-UHFFFAOYSA-N	280.236	1.840	5	40	CDBB	
C[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1	69699344	KKFNFPQGYYLKSH-LLVKDONJSA-N	265.313	1.098	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1NCC1(O)CCOCC1	86485475	LHTYIEONRZIIJL-UHFFFAOYSA-N	267.285	1.252	5	40	CDBB	
NC(=O)N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1	79350301	RURBPYFACCDUBD-UHFFFAOYSA-N	292.339	1.224	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccncc2)s1	78554410	BAUUQBNCELOOEY-UHFFFAOYSA-N	285.306	1.852	5	40	CDBB	
CCc1nccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1	367789	ABZADKJVLLTSOC-UHFFFAOYSA-N	281.293	1.591	5	40	CDBB	
COC(=O)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-]	2539915	BAHPGWHNYYTIFV-UHFFFAOYSA-N	253.210	1.097	5	40	CDBB	
Cc1nn(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1[N+](=O)[O-]	2778630	YOQNHGHRWKVVER-QMMMGPOBSA-N	268.317	1.801	5	40	CDBB	
CCOC(=O)c1nn(-c2cccc([N+](=O)[O-])c2)c(=N)s1	4199330	OMOSEQVJPTUCOP-UHFFFAOYSA-N	294.292	1.498	5	40	CDBB	
Cc1cc[nH]/c(=N\S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	347034	RYVNZSAQLDRNPR-UHFFFAOYSA-N	293.304	1.521	5	40	CDBB	
Nc1nonc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1	53870	DXEBHZCVKXWLGV-UHFFFAOYSA-N	274.196	1.277	5	40	CDBB	
O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1	58148675	IJJUZPLTYTVVBE-LBPRGKRZSA-N	289.335	1.490	5	40	CDBB	
CN(C)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3214223	MFKFGQFYHGRXFW-UHFFFAOYSA-N	296.283	1.185	5	40	CDBB	
COc1cc2c(c([N+](=O)[O-])c1[N+](=O)[O-])OCCC2	4160042	WGJIWDDOMKYWQO-UHFFFAOYSA-N	254.198	1.837	5	40	CDBB	
CCC(CC)NC(=O)COc1ccc(C)nc1[N+](=O)[O-]	9635403	NEPVPISEDRWHDF-UHFFFAOYSA-N	281.312	1.982	5	40	CDBB	
CNc1c([N+](=O)[O-])cnn1-c1cccc(Cl)n1	5209358	CJTYMHMQSDGJGD-UHFFFAOYSA-N	253.649	1.871	5	40	CDBB	
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	3566088	MDYWMXIKJJCTJF-UHFFFAOYSA-N	296.308	1.736	5	40	CDBB	
CCOC(=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	3176483	WOZTZIYEFFJAAP-UHFFFAOYSA-N	288.281	1.372	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(C)n1	2807082	ALRLVXKHEYEQHU-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
C[C@@H]1CCCC[C@@H]1NCCn1ccc([N+](=O)[O-])n1	97096426	SMNFUNRHPMXVMV-MNOVXSKESA-N	252.318	1.960	5	40	CDBB	
O=[N+]([O-])c1cccc(O)c1I	38880337	BFXOSMOZBIBXHU-UHFFFAOYSA-N	265.006	1.905	5	40	CDBB	in-vitro
N[C@@H](C(=O)O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1	199810085	MNBIPEVYWOEJAE-SSDOTTSWSA-N	264.159	1.698	5	40	CDBB	
O=C(Nc1nc[nH]n1)c1ccc(Cl)c([N+](=O)[O-])c1	12341177	QUWNRNGWDDNUFU-UHFFFAOYSA-N	267.632	1.619	5	40	CDBB	
CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1	32804120	KRLBJGIWFJEVMY-UHFFFAOYSA-N	289.335	1.968	5	40	CDBB	
Cc1nn(CCC(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-]	2781215	GUACRWKIIQBWFW-SNVBAGLBSA-N	280.328	1.891	5	40	CDBB	
C[C@H]1CCO[C@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1	95973869	LESJTQOUFAXXCN-JOYOIKCWSA-N	264.281	1.983	5	40	CDBB	
CN1C(=N)N=C(O)/C1=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21	36603488	KNZQKSXNAZCAIJ-CMDGGOBGSA-N	287.235	1.095	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CCOC2)c1	96442021	CANHQSZKOOJWAY-VIFPVBQESA-N	251.238	1.849	5	40	CDBB	
COc1cccc(-c2c([N+](=O)[O-])cnn2CCO)c1	96527504	WSLQIDYCGPLNHS-UHFFFAOYSA-N	263.253	1.459	5	40	CDBB	
C[C@@H](N)c1n[nH]c(COc2ccc([N+](=O)[O-])cc2)n1	95534665	TWIUVLXIMLXONJ-SSDOTTSWSA-N	263.257	1.312	5	40	CDBB	
C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H](C)O1	15443193	VETBLVLKWBJXHX-RKDXNWHRSA-N	251.286	1.791	5	40	CDBB	
O=c1c2cncnc2sc2nc3ccccc3n12	13219923	MFMARWRJMLLKOA-UHFFFAOYSA-N	254.274	1.852	5	40	CDBB	
Cn1ccs/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	6335012	YSKYBJPIIBAVLV-QXMHVHEDSA-N	263.278	1.736	5	40	CDBB	
C[N+]1(CC(O)C[N+]2(C)CCCCC2)CCCCC1	28231	UWUCRETYSMMLDX-UHFFFAOYSA-N	256.434	1.608	5	40	CDBB	
Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc([N+](=O)[O-])c2)n1	2302668	VVPLMTIVXKZNEE-UHFFFAOYSA-N	291.223	1.489	5	40	CDBB	
c1ccc2c(c1)[nH]c1c2c(N2CCOCC2)nn2cnnc12	104233262	PROLMFTXOUTZBJ-UHFFFAOYSA-N	294.318	1.595	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1	3886302	ZSODAIZBVSEAPW-UHFFFAOYSA-N	266.238	1.562	5	40	CDBB	
Cn1cnnc1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1	92605732	YEVZBOWOVOBSCI-UHFFFAOYSA-N	299.237	1.937	5	40	CDBB	
O=[N+]([O-])c1cc(Cl)ccc1N1CCS(=O)(=O)CC1	89768439	ATMBGWNKPHIQDY-UHFFFAOYSA-N	290.728	1.483	5	40	CDBB	
Cn1ccnc1SCCNc1ncccc1[N+](=O)[O-]	26760768	RIERAPBEJCPFKK-UHFFFAOYSA-N	279.325	1.928	5	40	CDBB	
O=C(O)CSc1c([N+](=O)[O-])ccc2nonc12	4570529	NSPSHHIRKBYAEF-UHFFFAOYSA-N	255.211	1.308	5	40	CDBB	
Nc1nc(NCc2ccccc2F)ncc1[N+](=O)[O-]	48544859	BBWQFEINRPNOAK-UHFFFAOYSA-N	263.232	1.718	5	40	CDBB	
O=[N+]([O-])c1c(N2CCCCC2)ncnc1N1CCCC1	4656445	WTUFQEHKGPCTRD-UHFFFAOYSA-N	277.328	1.975	5	40	CDBB	
COC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N(C)C1	9060649	NGVOBADSMSYOIY-VIFPVBQESA-N	250.254	1.376	5	40	CDBB	
CN1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)O)CC1	20247197	XHRMWKJPUQKNII-UHFFFAOYSA-N	279.296	1.435	5	40	CDBB	
C[N+]1(CCC[C@@H](O)CC[N+]2(C)CCCC2)CCCC1	1843153	KYPKIUAWLHUJRH-MRXNPFEDSA-N	270.461	1.998	5	40	CDBB	
Cc1nccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1	6790199	JIWOPBHJIYYZKR-UHFFFAOYSA-N	267.266	1.337	5	40	CDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)N1CCSCC1	2763501	YILVYSUVZBXFAA-UHFFFAOYSA-N	270.314	1.000	5	40	CDBB	
CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	20677863	QXOKJBSSFVWQMR-GFCCVEGCSA-N	284.337	1.214	5	40	CDBB	
CSCC[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)O	62717978	YAAYCNOOOFZWHC-NSHDSACASA-N	284.337	1.891	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1NCC1(N(C)C)CCOCC1	71905261	XSLWXINJBGCXSF-UHFFFAOYSA-N	294.355	1.821	5	40	CDBB	
O=[N+]([O-])c1c(F)cccc1NCC1(O)CCOCC1	86485482	YTHSQYHZTNVYRM-UHFFFAOYSA-N	270.260	1.687	5	40	CDBB	
C[N+]1(CCCN2CCOCC2)C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1	36378843	XVZLAXSFVMDPLT-NPWSMHQMSA-N	277.432	1.607	5	40	CDBB	
C[C@@H]([C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	96519320	ZWGFDFMZLMZSMT-XVKPBYJWSA-N	259.283	1.061	5	40	CDBB	
COC[C@H](C)NC(=O)CCCNc1ccccc1[N+](=O)[O-]	32747814	VWJGHZUJMXACGO-NSHDSACASA-N	295.339	1.938	5	40	CDBB	
O=C(O)CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O	35328441	LHJKGRRAJWHMLI-UHFFFAOYSA-N	277.236	1.170	5	40	CDBB	
C[C@@H]1CCC[C@H]1Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O	97082478	HETLVBDSDZKZSA-PSASIEDQSA-N	299.352	1.843	5	40	CDBB	
O=C(O)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	20199989	YUNHYBYBNDBMIL-UHFFFAOYSA-N	272.644	1.453	5	40	CDBB	
Cc1ccnc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)n1	6925289	LGOMRVYWLMEZKI-UHFFFAOYSA-N	293.304	1.667	5	40	CDBB	
CNS(=O)(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1	8148974	JVRKUHPQZUTRSO-UHFFFAOYSA-N	299.352	1.857	5	40	CDBB	
CCOC(=O)c1nn(CCC(F)(F)F)cc1[N+](=O)[O-]	147956075	UFKDINPEAXMCTR-UHFFFAOYSA-N	281.190	1.920	5	40	CDBB	
CNc1ccc(CN[C@H]2CCCNC2=O)cc1[N+](=O)[O-]	96402781	VJGLBYUFDBZPPA-NSHDSACASA-N	278.312	1.005	5	40	CDBB	
Cc1cnc(N(C)[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1	96449412	BQNGEUCJKYRLJD-NSHDSACASA-N	264.329	1.829	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(O)CC1	78387994	QKSFLNNNUVNOFT-UHFFFAOYSA-N	295.295	1.592	5	40	CDBB	
CNCCNc1ncc([N+](=O)[O-])cc1Br	86482115	DJLOQUFJBTZIBE-UHFFFAOYSA-N	275.106	1.384	5	40	CDBB	
NC(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1	96011327	FCXQREIIRMNGGZ-JTQLQIEISA-N	264.285	1.550	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1N1CCC(O)CC1	15443385	SQHMGRZMJCGGHA-UHFFFAOYSA-N	266.253	1.254	5	40	CDBB	
C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	97238053	DSFWIUCQHHIVOD-JQEORGNBSA-N	289.291	1.612	5	40	CDBB	
CN(Cc1nccn1C(F)F)c1c([N+](=O)[O-])ncn1C	26710400	XNVIPMDFVABWKK-UHFFFAOYSA-N	286.242	1.556	5	40	CDBB	
O=[N+]([O-])C(CO)(CCCC(Cl)(Cl)Cl)[N+](=O)[O-]	19321598	SWKQGEFSGVIPPL-UHFFFAOYSA-N	295.506	1.769	5	40	CDBB	
CN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])OC1=S	4579064	YNVLLNGCPSHTRY-RMKNXTFCSA-N	264.262	1.709	5	40	CDBB	
Cc1cccc(C(=O)N2CCC[C@@H](O)C2)c1[N+](=O)[O-]	26242663	RKOCRVXKKMVNRM-SNVBAGLBSA-N	264.281	1.500	5	40	CDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCCCN1	44492450	PESMKRWYIIHDOL-JTQLQIEISA-N	299.352	1.015	5	40	CDBB	
O=[N+]([O-])c1cccc(-c2nnc(CNC3CC3)o2)c1	3887878	PNNYWHHPZNJJHP-UHFFFAOYSA-N	260.253	1.897	5	40	CDBB	
CN1C(=O)N/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O	409191797	NNKYFNGMKPAMBQ-AGLLBGTNSA-N	273.248	1.674	5	40	CDBB	
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCc2ccccc2C1	16493198	CWEAZNDFUGLSEO-UHFFFAOYSA-N	299.286	1.482	5	40	CDBB	
COC(=O)CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	18183486	SJKFBXNEEMICSO-BQYQJAHWSA-N	292.291	1.677	5	40	CDBB	
CCc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OC)CC1=O	226314661	YEKWWNKTIZAFGA-JTQLQIEISA-N	292.291	1.683	5	40	CDBB	
CSCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	5262122	PYTCFKOTAUAXHU-UHFFFAOYSA-N	295.364	1.606	5	40	CDBB	
CNc1cc(N2CCNCC2)c(Cl)cc1[N+](=O)[O-]	45221393	LCYWZAQBGOQLSX-UHFFFAOYSA-N	270.720	1.700	5	40	CDBB	
O=C1[C@@H]2CCCN2C(=O)N1c1ccccc1[N+](=O)[O-]	13565070	IJFGPJIHPPQRSE-JTQLQIEISA-N	261.237	1.526	5	40	CDBB	
Cn1nnnc1Sc1c(Cl)cccc1[N+](=O)[O-]	984040	BTWUABMNQJZFKS-UHFFFAOYSA-N	271.689	1.923	5	40	CDBB	
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(=O)[nH]c1	37500562	QGSHXFWVWIMYAI-UHFFFAOYSA-N	287.275	1.555	5	40	CDBB	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1CC1	46034105	RLFBLFRNIKRJQN-UHFFFAOYSA-N	270.310	1.592	5	40	CDBB	
O=[N+]([O-])c1c(NC2CCC(O)CC2)nc2ccccn12	12627818	YHNUAPVTWZETIN-UHFFFAOYSA-N	276.296	1.958	5	40	CDBB	
CNC(=O)NC(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1	12776365	GMXHJDQMZBPLNM-UHFFFAOYSA-N	286.675	1.116	5	40	CDBB	
CC(C)(C)CN(CCO)c1ccc([N+](=O)[O-])cn1	84169844	ZSDPBJHGSPGPKH-UHFFFAOYSA-N	253.302	1.835	5	40	CDBB	
CS(=O)(=O)CC1(CNc2ccc([N+](=O)[O-])cn2)CC1	75092895	PBWUJTNKKMFRMW-UHFFFAOYSA-N	285.325	1.227	5	40	CDBB	
CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1N	26463170	VEQQDWLKIVDZJW-UHFFFAOYSA-N	261.237	1.902	5	40	CDBB	
O=C1CCN[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	408739134	YBPPUEXMPGTBGY-SNVBAGLBSA-N	255.661	1.356	5	40	CDBB	
COC(=O)c1oc(Cn2cccc([N+](=O)[O-])c2=O)cc1C	96455723	MDNBGTILPDBRKO-UHFFFAOYSA-N	292.247	1.493	5	40	CDBB	
O=Cc1ccc2c(c1)n(O)c1ccc(O)cc1[n+]2=O	368066094	BGTXJMWCHAMRLX-UHFFFAOYSA-O	257.225	1.464	5	40	CDBB	
O=C(O)CCCn1nc([N+](=O)[O-])cc1Br	953109485	IAPUMAJCSOCFQT-UHFFFAOYSA-N	278.062	1.419	5	40	CDBB	
O=C(O)c1ccc(Sc2nccc(O)n2)c([N+](=O)[O-])c1	16384563	XHGIZJVQLDSDGQ-UHFFFAOYSA-N	293.260	1.940	5	40	CDBB	
Cc1cc2nc3c(=O)[nH]c(=S)[nH]c3nc2cc1N	5583814	ZOSQSUFSLAZYHK-UHFFFAOYSA-N	259.294	1.420	5	40	CDBB	
O=C(OC[C@@H]1CCN(c2ccccc2)C1)[C@H]1C[C@H]1[N+](=O)[O-]	107065036	GOWHNEUOYWCWBS-KWCYVHTRSA-N	290.319	1.721	5	40	CDBB	
CC[N+](CC)(CC)CCNC(=O)COc1ccccc1O	3218592	VQVHQJNZVAPFFT-UHFFFAOYSA-O	295.403	1.764	5	40	CDBB	
O=C(O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	3888637	KFUXTZKDCWHNGQ-UHFFFAOYSA-N	250.254	1.896	5	40	CDBB	
O=C(NCc1ncccc1F)c1ccc([N+](=O)[O-])cc1O	96012464	LCBNRSXSCHONFI-UHFFFAOYSA-N	291.238	1.765	5	40	CDBB	
COC[C@@]1(C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	66082883	FAZHOWQQANRVHY-CYBMUJFWSA-N	293.279	1.052	5	40	CDBB	
O=c1oc2cccnc2c(=O)n1Cc1ccc([N+](=O)[O-])cc1	5770722	QVEVZOSTQMJGQN-UHFFFAOYSA-N	299.242	1.306	5	40	CDBB	
CCOC(=O)c1conc1[C@H](O)c1ccc([N+](=O)[O-])cc1	504738881	APSKBQQQBHHMLY-GFCCVEGCSA-N	292.247	1.841	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC	45957634	GVJBGUDLJFFTTB-UHFFFAOYSA-N	268.269	1.846	5	40	CDBB	
O=C(O)CCn1nc([N+](=O)[O-])cc1Br	953109618	ZKSVZFKSACDHBP-UHFFFAOYSA-N	264.035	1.029	5	40	CDBB	
CCOc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	71404325	SFSGNFIOEBYBPK-UHFFFAOYSA-N	256.170	1.600	5	40	CDBB	
C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nncn1C	32934669	ZAEVJCCJAYWZGD-MRVPVSSYSA-N	290.283	1.606	5	40	CDBB	
CC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CCOCC1	58432259	DOCMHBNOPQLUHD-ZDUSSCGKSA-N	294.355	1.759	5	40	CDBB	
COC(=O)/C=C(\Nc1cccc([N+](=O)[O-])c1)C(=O)OC	101211900	VKHSPJCOIDEQKM-YFHOEESVSA-N	280.236	1.237	5	40	CDBB	
COC(=O)c1cc(C(=O)OC)c(NC(C)=O)c([N+](=O)[O-])c1	4127879	RJDZVBBFTMCODG-UHFFFAOYSA-N	296.235	1.126	5	40	CDBB	
COC(=O)c1cccc(Oc2c([N+](=O)[O-])ncn2C)c1	8318529	SWSJZYIHNJKPOF-UHFFFAOYSA-N	277.236	1.907	5	40	CDBB	
Cc1nc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)no1	69617371	HRBRHICGKPYSQY-UHFFFAOYSA-N	276.208	1.242	5	40	CDBB	
O=c1[nH]c(/C=C\c2cccc(F)c2)c([N+](=O)[O-])c(=O)[nH]1	30840446	AEWZUNRDZSLGDO-PLNGDYQASA-N	277.211	1.281	5	40	CDBB	
Nc1nc(Nc2ccc(F)cc2F)ncc1[N+](=O)[O-]	70644118	ZNWISCILHDGLII-UHFFFAOYSA-N	267.195	1.989	5	40	CDBB	
Cc1nn(C)c(N2CCc3ccc(O)cc3C2)c1[N+](=O)[O-]	195544047	PVRIOSLOGXIRBR-UHFFFAOYSA-N	288.307	1.905	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(NCCc2cncn2C)n1	97373478	RKLWIONGHPWKPZ-UHFFFAOYSA-N	261.285	1.686	5	40	CDBB	
O=[N+]([O-])c1ccc(O[C@H]2CCS(=O)(=O)C2)cc1	5896110	MBZKJSSNDOHCRH-JTQLQIEISA-N	257.267	1.161	5	40	CDBB	
COC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OC	1714961	LKLMASCOTOBEMT-UHFFFAOYSA-N	265.221	1.324	5	40	CDBB	
Cc1ccc(C(=O)O[C@@H]2C[C@@H](C)OC2=O)cc1[N+](=O)[O-]	32736471	KNSQMUZAFRETFC-LDYMZIIASA-N	279.248	1.764	5	40	CDBB	
CC(C)(CC(=O)O)NC(=O)c1ccc([N+](=O)[O-])cc1	3850922	SINVCESEDGJZKV-UHFFFAOYSA-N	266.253	1.578	5	40	CDBB	
CC(C)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	7212265	BELXERWGSDRFLI-SECBINFHSA-N	272.326	1.918	5	40	CDBB	
CCCc1nn(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(=O)o1	95438986	SPIBXPOMGPKSLC-LLVKDONJSA-N	293.279	1.431	5	40	CDBB	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCSCC2)c1	49041154	DQXDDADBADMIED-UHFFFAOYSA-N	282.321	1.792	5	40	CDBB	
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCOCC1	15082179	FEUAPPZCSJKSLW-UHFFFAOYSA-N	281.268	1.003	5	40	CDBB	
C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])cc1	69508250	PQBMAYFXASRMFB-ZYHUDNBSSA-N	277.324	1.681	5	40	CDBB	
COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1[N+](=O)[O-]	45952966	CSBKJIIANGLWMC-ZETCQYMHSA-N	280.236	1.041	5	40	CDBB	
N[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12	195562269	HEDFEIAKBWDXRK-MVWJERBFSA-N	275.308	1.404	5	40	CDBB	
CN(C)CCOCCNc1ccc([N+](=O)[O-])cc1	95997026	RZEWNBHVENATPC-UHFFFAOYSA-N	253.302	1.585	5	40	CDBB	
O=C(O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCSC[C@@H]12	13690218	FLBRQVBTNGJUMJ-JQWIXIFHSA-N	294.332	1.774	5	40	CDBB	
CCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	32804229	GTCUIKWGIWNZDJ-UHFFFAOYSA-N	272.326	1.814	5	40	CDBB	
CCc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2)no1	6359380	RNVHTTMAGDLMEL-UHFFFAOYSA-N	276.252	1.470	5	40	CDBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1	45478906	OXTXVBKVTZTWQW-LLVKDONJSA-N	250.254	1.154	5	40	CDBB	
CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	46901275	GDWCZBNXRFVQCF-QWRGUYRKSA-N	292.291	1.429	5	40	CDBB	
C[S@](=O)c1nncn1CCc1ccc([N+](=O)[O-])cc1	71899907	GUJKPHKPVKKWDV-LJQANCHMSA-N	280.309	1.166	5	40	CDBB	
C[C@@H]1CCO[C@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1	95973868	LESJTQOUFAXXCN-BXKDBHETSA-N	264.281	1.983	5	40	CDBB	
C[C@H]1C[C@H]1c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1	97022888	HQDKUIQVXGKNDV-IONNQARKSA-N	290.279	1.964	5	40	CDBB	
CCN1CCN(c2c(C)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	45886602	BNPKQSZWGOJUJN-UHFFFAOYSA-N	294.311	1.953	5	40	CDBB	
Nc1ccc([N+](=O)[O-])cc1C(=O)c1ncccc1F	299803680	PSCNJUIHFVIEAT-UHFFFAOYSA-N	261.212	1.942	5	40	CDBB	
CC[C@@H](CO)NC(=O)/C=C\c1ccccc1[N+](=O)[O-]	16980313	VDQMNPXXXOKWJV-TVRMLOFPSA-N	264.281	1.495	5	40	CDBB	
O=C(/C=C1\SC(=O)NC1=O)Nc1ccc([N+](=O)[O-])cc1	17016507	RRECTZBLYRRURC-YVMONPNESA-N	293.260	1.400	5	40	CDBB	
CN(C)CCCNc1ccc([N+](=O)[O-])c2nonc12	4860298	QSGGRYXOKFKEPF-UHFFFAOYSA-N	265.273	1.495	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(=O)[nH]c1	32816861	WPCKERRPNYTYIP-UHFFFAOYSA-N	287.275	1.555	5	40	CDBB	
CCOC(=O)c1cc2ccccn2c1CC[N+](=O)[O-]	32918963	PNXDBMRLKNPXDT-UHFFFAOYSA-N	262.265	1.935	5	40	CDBB	
CCOC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	4344500	VUZBNJXZHIIPTP-UHFFFAOYSA-N	280.280	1.608	5	40	CDBB	
CCOCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C	3443861	WKYTYDKJVPYKTG-UHFFFAOYSA-N	296.279	1.421	5	40	CDBB	
COC[C@H](C)NC(=O)COc1c(C)ccc([N+](=O)[O-])c1C	40068504	MHRKCOOWFNEPKS-JTQLQIEISA-N	296.323	1.742	5	40	CDBB	
COC[C@@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2C)CC1	96429398	CIBJBGVIADVCBY-GFCCVEGCSA-N	294.355	1.455	5	40	CDBB	
COc1c([N+](=O)[O-])cc(CN2CCOCC2)cc1[N+](=O)[O-]	19932954	RKPNVCZNAHKMJR-UHFFFAOYSA-N	297.267	1.344	5	40	CDBB	
COC(=O)[C@@]1(CC[N+](=O)[O-])N=C(c2ccccc2)O[C@H]1C	1611904	DPLIQOVGJKEOPV-HZMBPMFUSA-N	292.291	1.431	5	40	CDBB	
Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H]1CCOC1=O	26113109	JGLADVTYHHXAEA-VIFPVBQESA-N	265.221	1.376	5	40	CDBB	
CC(C)NC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	26385857	GKXABYGIUGHDBH-UHFFFAOYSA-N	299.714	1.503	5	40	CDBB	
COc1ccc(OCCN2CCOC2=O)c([N+](=O)[O-])c1	28188194	PHBLYFACCAVCMV-UHFFFAOYSA-N	282.252	1.434	5	40	CDBB	
O=C1CCCC(=O)C1C(=O)Cc1ccccc1[N+](=O)[O-]	100844736	XDADBXLSGAEUOM-UHFFFAOYSA-N	275.260	1.645	5	40	CDBB	
C[C@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])cn1	48336737	XNNBILOTPALYQT-SNVBAGLBSA-N	266.301	1.122	5	40	CDBB	
CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1	3884032	VWFZYLCBIBEZLR-UHFFFAOYSA-N	293.323	1.957	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1O[C@H]1CCCNC1	14631828	QEBKZQAKWIAEHV-JTQLQIEISA-N	252.270	1.734	5	40	CDBB	
Cc1ccc([N+](=O)[O-])c(C(=O)OCc2nccn2C)c1	91108014	SOUKIGOYCJCYAJ-UHFFFAOYSA-N	275.264	1.994	5	40	CDBB	
COC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	95347998	GOMLMDOWFDPAAJ-SNVBAGLBSA-N	250.210	1.261	5	40	CDBB	
C[C@@H]1CCOCCN1C(=O)c1cc([N+](=O)[O-])ccc1N	195577286	VPWHUKQVZYWAOB-SECBINFHSA-N	279.296	1.428	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCCCC1	342983	DHLJGINGBDZWKM-UHFFFAOYSA-N	252.274	1.345	5	40	CDBB	
NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\O	2087145828	YTXGLVFMDBJNGB-PEZBUJJGSA-N	254.245	1.975	5	40	CDBB	
CS(=O)(=O)N1CCCc2ccc([N+](=O)[O-])cc21	40631092	ZNHFKGHHZCVATD-UHFFFAOYSA-N	256.283	1.307	5	40	CDBB	
C[C@@H]1CCC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1C	43269747	HRCNYRYYTNHPKZ-GMTAPVOTSA-N	280.328	1.732	5	40	CDBB	
COc1c2[nH]ccc3c-2n(c(=O)c1=O)c1ccccc31	103974646	MKOHWARXSAUSPK-UHFFFAOYSA-N	266.256	1.692	5	40	CDBB	biogenic
O=[N+]([O-])c1ccc(N2CC[C@H](O)C2)c(Br)c1	61707410	CMTWNUSNPAPRIA-QMMMGPOBSA-N	287.113	1.928	5	40	CDBB	
CC(=O)NC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	67419364	ZTUCQNGWWDJOKP-ZDUSSCGKSA-N	291.351	1.943	5	40	CDBB	
O=C(Cc1cccnc1)Nc1cc([N+](=O)[O-])ccc1O	92546836	OUOAXSJRMSZKJU-UHFFFAOYSA-N	273.248	1.877	5	40	CDBB	
Cc1nc(N2CCOC[C@@H]2C2CC2)ccc1[N+](=O)[O-]	97115392	WTQBOUIQMRXPJZ-GFCCVEGCSA-N	263.297	1.913	5	40	CDBB	
CS(=O)(=O)CCSc1ccc([N+](=O)[O-])cc1	91482227	BZGAAOCOQWOYOD-UHFFFAOYSA-N	261.324	1.732	5	40	CDBB	
Cc1nnc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])n1N	13461599	SUHPJSYCLXJBMB-UHFFFAOYSA-N	295.280	1.058	5	40	CDBB	
O=c1[nH]c(/C=C\c2ccccc2)nc(O)c1[N+](=O)[O-]	16450983	ZGXICWAPEILSTH-SREVYHEPSA-N	259.221	1.554	5	40	CDBB	
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)N1CCCC1	2770873	OHXLYTCDSHFELH-UHFFFAOYSA-N	272.692	1.457	5	40	CDBB	
CCCN(CCO)C(=O)Nc1cccc([N+](=O)[O-])c1	24689386	AUYPJWNTNWDSLO-UHFFFAOYSA-N	267.285	1.831	5	40	CDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(O)c([N+](=O)[O-])cc2c1	104817270	LNRKYAUTJAZXGN-UHFFFAOYSA-N	280.152	1.665	5	40	CDBB	
Cc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)cccc1[N+](=O)[O-]	13170417	YXPJDHLGMOJNAX-SNVBAGLBSA-N	292.291	1.840	5	40	CDBB	
Cc1ncc([N+](=O)[O-])n1-c1nc(Cl)ncc1F	6665323	VFPXVMOBPVYVIO-UHFFFAOYSA-N	257.612	1.671	5	40	CDBB	
CCCO[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C1	67112055	RWYYMXCUPZFUMP-VWYCJHECSA-N	256.302	1.069	5	40	CDBB	
CCOC(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	4973916	NLWFRFDCQXKEGZ-UHFFFAOYSA-N	256.189	1.236	5	40	CDBB	
COC[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCO1	78342920	IYSNRDWXXBRZQB-SNVBAGLBSA-N	270.260	1.586	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1C[C@H](O)COc1ccccc1	97375862	OLLHMGVHSILJJM-NSHDSACASA-N	277.280	1.540	5	40	CDBB	
CO[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1	585140870	LWQHQTVHGJJTBX-LBPRGKRZSA-N	295.295	1.740	5	40	CDBB	
CCCc1[nH]nc(C(=O)N2CCO[C@H](CC)C2)c1[N+](=O)[O-]	71890283	MNGFXBOOZWJIIZ-SECBINFHSA-N	296.327	1.521	5	40	CDBB	
COc1cc([N+](=O)[O-])c(OC)cc1NC(=O)C1CC1	12710767	WQDQKCVFOGXRTL-UHFFFAOYSA-N	266.253	1.961	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C	5120547	XOTWLGIXNSSARG-UHFFFAOYSA-N	272.326	1.980	5	40	CDBB	
O=[N+]([O-])c1ccc(Sc2ncn[nH]2)c2nonc12	6667943	FXSGOVDQWYLBQC-UHFFFAOYSA-N	264.226	1.400	5	40	CDBB	
COC(=O)CSc1ncc([N+](=O)[O-])c(NC2CC2)n1	26692449	ZPNDONPJISSUMI-UHFFFAOYSA-N	284.297	1.224	5	40	CDBB	
COC(=O)N1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1	58201615	XFQIBKYTPNWLBS-UHFFFAOYSA-N	297.315	1.279	5	40	CDBB	
O=C(O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O	37291187	GACIUHLMHIZKTO-UHFFFAOYSA-N	283.627	1.838	5	40	CDBB	
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(C2CC2)cs1	48643861	RDAZLMRXECBLTQ-UHFFFAOYSA-N	293.308	1.764	5	40	CDBB	
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)nn1C	97097757	DGXJVDKMMVZMNE-UHFFFAOYSA-N	276.252	1.595	5	40	CDBB	
Cc1cnc(Cn2cc([N+](=O)[O-])c(C)cc2=O)cn1	96474476	BOOWJSKIZGPIHY-UHFFFAOYSA-N	260.253	1.212	5	40	CDBB	
NC(=O)CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1	4355826	INGVEQJYYBHIIJ-UHFFFAOYSA-N	290.304	1.629	5	40	CDBB	
Cc1c(NC(=O)[C@@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-]	32816262	XTBFIVDAXFQWDM-SECBINFHSA-N	277.280	1.320	5	40	CDBB	
Cc1nn(C)c(C(=O)N2CCC[C@@H](C)C2)c1[N+](=O)[O-]	375950	RZFMLOXCFJYBJZ-MRVPVSSYSA-N	266.301	1.509	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccncc2)cc1	555963	XBGDNESKBLFIPK-UHFFFAOYSA-N	293.304	1.468	5	40	CDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1C(=O)O	96538	VGCFUWXBUDSUAA-UHFFFAOYSA-N	290.235	1.279	5	40	CDBB	
Cc1nn2cc(-n3cc([N+](=O)[O-])cn3)cnc2c1[N+](=O)[O-]	2070767	HCJKNXXULROYEY-UHFFFAOYSA-N	289.211	1.040	5	40	CDBB	
Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	2796207	FWCOMZDLGYVZMV-UHFFFAOYSA-N	274.280	1.530	5	40	CDBB	
CC(C)(C)c1nc(Cn2cnc([N+](=O)[O-])c2)no1	26124846	DVMSZXUEGVAQOB-UHFFFAOYSA-N	251.246	1.520	5	40	CDBB	
Cc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C(=O)O)CS1	4357733	HFAXIVVNHIWLLO-ZJUUUORDSA-N	268.294	1.691	5	40	CDBB	
COC(=O)c1cc(F)ccc1Cn1cnc([N+](=O)[O-])c1	71799796	BVOJGYDANCQAFG-UHFFFAOYSA-N	279.227	1.765	5	40	CDBB	
C[C@@H]1CCCC[C@H]1NCCn1ccc([N+](=O)[O-])n1	97096428	SMNFUNRHPMXVMV-GHMZBOCLSA-N	252.318	1.960	5	40	CDBB	
COC(=O)[C@H](C)CNC(=O)N(C)c1cccc([N+](=O)[O-])c1	95964333	MYSTXPZPFKZUJM-SECBINFHSA-N	295.295	1.550	5	40	CDBB	
COC(=O)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	30110146	IJJZEMDVCHTKFV-AATRIKPKSA-N	278.264	1.287	5	40	CDBB	
CCOC(=O)/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1	5927744	QITGDBWGFIEWNY-SREVYHEPSA-N	264.237	1.653	5	40	CDBB	
CN(C)CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-]	9322035	ZFLNGWUZDPSGSH-UHFFFAOYSA-N	266.301	1.057	5	40	CDBB	
O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CCOCC1	266364	XJXGGFGKSVCZRX-UHFFFAOYSA-N	254.217	1.206	5	40	CDBB	
COc1nc(Nc2ccccc2[N+](=O)[O-])nc(OC)n1	8132966	XTICTMRRDFLWTA-UHFFFAOYSA-N	277.240	1.541	5	40	CDBB	
CC(C)(C)OC(=O)N1CCC(O)(C[N+](=O)[O-])CC1	44713433	AJNCHUMJVPZDCG-UHFFFAOYSA-N	260.290	1.025	5	40	CDBB	
COC(=O)c1ccc2c(c1)ncc1c(=O)nc(N)sc12	40174308	OLZCKDBUNPFQEZ-UHFFFAOYSA-N	287.300	1.574	5	40	CDBB	
CC1(C)[C@@H](OC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H]2CCCO[C@H]21	76090523	RCHHDPCLUZXANB-HWUMTFDVSA-N	269.297	1.398	5	40	CDBB	
C[C@@H]1CN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1	32770202	VWHLDVLNJXTVOT-SECBINFHSA-N	293.279	1.181	5	40	CDBB	
O=c1cc([C@H](O)C[N+](=O)[O-])occ1OCc1ccccc1	480918	RRCJQNNWWUURAK-GFCCVEGCSA-N	291.259	1.529	5	40	CDBB	
Cn1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1	12577088	IHWZKXLAPHGUDJ-AATRIKPKSA-N	272.264	1.980	5	40	CDBB	
COCCOC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	11228042	VCQWYCACKVWNSX-UHFFFAOYSA-N	280.280	1.972	5	40	CDBB	
O=C1CCCC(=O)C1[C@@H](C[N+](=O)[O-])c1ccccc1	104142182	FAMJGDKYMLYMQR-NSHDSACASA-N	261.277	1.985	5	40	CDBB	
O=c1ccc(F)cn1CCOc1ccccc1[N+](=O)[O-]	190750538	JXYIZGSGWZEADT-UHFFFAOYSA-N	278.239	1.975	5	40	CDBB	
Cc1noc(Cn2cc(Br)c([N+](=O)[O-])n2)n1	40445589	LFGWWQJRXWNIRA-UHFFFAOYSA-N	288.061	1.294	5	40	CDBB	
CCN(CC)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	2778681	GZLZFFPJHPTJPK-UHFFFAOYSA-N	268.317	1.667	5	40	CDBB	
COC(=O)[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)OC	59483317	YFXYWYNCTPYWRU-SECBINFHSA-N	297.292	1.762	5	40	CDBB	
COc1c([N+](=O)[O-])cc(NC(C)=O)cc1[N+](=O)[O-]	20528735	ZPTVKPQFALAEFG-UHFFFAOYSA-N	255.186	1.470	5	40	CDBB	
O=[N+]([O-])c1ccnn1CCS(=O)(=O)c1ccccc1	49493625	KIENVSPEAYBXED-UHFFFAOYSA-N	281.293	1.265	5	40	CDBB	
COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	25613187	BFXLVILAMDXFAW-UHFFFAOYSA-N	264.281	1.984	5	40	CDBB	
Cc1ccc(F)c(OC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1	95974914	UMZFLNFIWFDSRB-NSHDSACASA-N	295.270	1.679	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1NC[C@@](C)(O)c1cnn(C)c1	76020988	QHTQKRRQYFALEZ-CYBMUJFWSA-N	291.311	1.351	5	40	CDBB	
CCOC(=O)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	37632665	WBUKNGHHRBTHAF-UHFFFAOYSA-N	262.221	1.822	5	40	CDBB	
CC[C@@H]([C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	96519476	WHHKIQMMQAZDGY-WDEREUQCSA-N	273.310	1.451	5	40	CDBB	
CCCN(CC(=O)OCC)c1ncccc1[N+](=O)[O-]	50071665	GEMBDOBYFJTYFC-UHFFFAOYSA-N	267.285	1.769	5	40	CDBB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	194834	JUGYSSSLMPOMSI-NSHDSACASA-N	291.263	1.396	5	40	CDBB	
Nc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	3115895	ZUOVOBVJQMCJQC-UHFFFAOYSA-N	294.288	1.945	5	40	CDBB	
CN1CCC(N(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	5262127	TXASLADVHFSMGP-UHFFFAOYSA-N	292.339	1.224	5	40	CDBB	
Cc1csc(CNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1	72277243	FBNOIOPQKNBXBI-UHFFFAOYSA-N	281.297	1.321	5	40	CDBB	
Cn1cc([C@](C)(O)CNc2ccc([N+](=O)[O-])cn2)cn1	72294825	CRHJIONKNPAJJM-GFCCVEGCSA-N	277.284	1.043	5	40	CDBB	
COc1ccc(/C=C/c2nccc(=O)[nH]2)cc1[N+](=O)[O-]	89466047	OYANEBSWMYKAGM-HWKANZROSA-N	273.248	1.857	5	40	CDBB	
O=[N+]([O-])c1cnn(CCN2CCc3ccccc32)c1	72296277	NFPDMXXDVANAAN-UHFFFAOYSA-N	258.281	1.854	5	40	CDBB	
COC(=O)c1ccc(Cn2cccc([N+](=O)[O-])c2=O)cc1	50445346	XPQWXQOXBATBHF-UHFFFAOYSA-N	288.259	1.591	5	40	CDBB	
CC(C)[C@H](N)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1	37810933	SMRVEJMVFUVZOC-LBPRGKRZSA-N	265.313	1.537	5	40	CDBB	
Cc1nc(COc2ccccc2[N+](=O)[O-])ncc1C(=O)O	217399563	VTWVTLDENUWADE-UHFFFAOYSA-N	289.247	1.970	5	40	CDBB	
NC(=O)C[C@H](N)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	44252885	GYBUQOIMLLICHX-JTQLQIEISA-N	275.264	1.730	5	40	CDBB	
CN(C)N1C(c2ccc([N+](=O)[O-])cc2)=NOC1(C)C	492737	PEFDVGJRTZFMLR-UHFFFAOYSA-N	264.285	1.801	5	40	CDBB	
O=C(O)[C@H]1Cc2nc[nH]c2[C@H](c2ccc([N+](=O)[O-])cc2)N1	11919895	MGZNHWUKOICZHV-MNOVXSKESA-N	288.263	1.006	5	40	CDBB	
CCOCC(=O)NCc1cccc([N+](=O)[O-])c1C	225577003	JOXPWHDOHVLNQF-UHFFFAOYSA-N	252.270	1.556	5	40	CDBB	
CCOC(=O)Cc1ccc(C(=O)OCC)cc1[N+](=O)[O-]	90471103	SKZKACZIGOSXQL-UHFFFAOYSA-N	281.264	1.877	5	40	CDBB	
CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])o1	53437885	ODLSNKORTJTLDV-SECBINFHSA-N	268.269	1.829	5	40	CDBB	
CC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	13939018	OVHYFCHZFXUBNC-QMMMGPOBSA-N	258.299	1.672	5	40	CDBB	
O=[N+]([O-])c1ccc(C2OCC(Cl)([N+](=O)[O-])CO2)cc1	4954184	AGTJLZUALDZBJJ-UHFFFAOYSA-N	288.643	1.852	5	40	CDBB	
O=C(O)c1cc([N+](=O)[O-])c(N2CCCC2)c([N+](=O)[O-])c1	4660155	DJLPDYUHXZZEHS-UHFFFAOYSA-N	281.224	1.801	5	40	CDBB	
Cc1ccc2cc3c(=O)n(C)cc(CO)c3nc2c1	8861673	LAHIPUMCOUBWEO-UHFFFAOYSA-N	254.289	1.887	5	40	CDBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N(C)C	6992504	TVAIQALJQKDVHS-LURJTMIESA-N	272.282	1.290	5	40	CDBB	
CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	32401417	GEMQKNMPZBACFV-UHFFFAOYSA-N	288.325	1.682	5	40	CDBB	
O=C(O)C[C@@H]1CNC(=O)c2cc3cc([N+](=O)[O-])ccc3n21	32918535	KGKMFNAHCZCXNR-SECBINFHSA-N	289.247	1.309	5	40	CDBB	
Cn1n[n+](Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	362847	HPTDPQAYVARMPZ-UHFFFAOYSA-N	269.284	1.817	5	40	CDBB	
O=C(OC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1	439421	XOXREGFRGZVOJG-NSHDSACASA-N	251.238	1.931	5	40	CDBB	
C[C@H]1CCC[C@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C	2778559	LZNXBHPFBWWQQL-IUCAKERBSA-N	266.301	1.731	5	40	CDBB	
O=[N+]([O-])c1c(N2CCC[C@@H](CO)C2)nc2ccccn12	12627820	RJUWSEDWKUINFR-SNVBAGLBSA-N	276.296	1.451	5	40	CDBB	
O=[N+]([O-])c1ccccc1NCCN1CCC(CO)CC1	68764285	MSMUGXBBXDVFLP-UHFFFAOYSA-N	279.340	1.711	5	40	CDBB	
CCS(=O)(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	96510168	VGKMGOIJEMBPNT-WDEREUQCSA-N	255.295	1.885	5	40	CDBB	
COc1c(C)cnc(CN(C)C(=O)[C@H]2C[C@H]2[N+](=O)[O-])c1C	65494088	PKIPUXAMPBCZMY-CMPLNLGQSA-N	293.323	1.331	5	40	CDBB	
COCCNC(=O)CCNc1cc(C)ccc1[N+](=O)[O-]	95410403	FJYFAEDVUMHUSC-UHFFFAOYSA-N	281.312	1.468	5	40	CDBB	
Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1ncn[nH]1	5736664	YAUQUTAKGUGECN-UHFFFAOYSA-N	293.308	1.752	5	40	CDBB	
CC(C)(C)CNC(=O)C(C)(C)n1cnc([N+](=O)[O-])c1	504745611	JXZAXQHWBJSKHO-UHFFFAOYSA-N	268.317	1.689	5	40	CDBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H](O)C1	35186964	LCRDIZMQCSXATE-YBJDMEARSA-N	276.292	1.591	5	40	CDBB	
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCCCC1	2777569	JVEUPLVMJWMGIA-UHFFFAOYSA-N	266.301	1.584	5	40	CDBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1	12633886	ACMFNSVKAKOSAX-UHFFFAOYSA-N	286.291	1.962	5	40	CDBB	
O=[N+]([O-])c1cc(-n2cnnn2)ccc1N1CCCC1	9879950	KKSGVFHSDOTCJN-UHFFFAOYSA-N	260.257	1.171	5	40	CDBB	
C[C@@H]1C[C@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1	75609875	ULDDOCHOBKKJGN-BXKDBHETSA-N	279.296	1.681	5	40	CDBB	
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2cnccc21	96454968	MCLQFLLCGFDAOC-UHFFFAOYSA-N	285.259	1.898	5	40	CDBB	
O=[N+]([O-])c1ccc(NC(CO)CO)c(Br)c1	75877589	WBCVAPRJGYJNFW-UHFFFAOYSA-N	291.101	1.122	5	40	CDBB	
COc1cc(/C=C2\CCOC2=O)c([N+](=O)[O-])cc1OC	1653796	VQQQXNNQIYCWKZ-VMPITWQZSA-N	279.248	1.942	5	40	CDBB	
CC(=O)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1	21596524	QGXQEWCGEQHSPB-UHFFFAOYSA-N	257.246	1.567	5	40	CDBB	
O=[N+]([O-])c1cc(Br)ccc1N1CC(CO)C1	84988349	CEXCJXBLEPDHCM-UHFFFAOYSA-N	287.113	1.786	5	40	CDBB	
CCOCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1	79625085	KTAWCUJTWJIRIO-UHFFFAOYSA-N	266.297	1.983	5	40	CDBB	
CC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	36532249	JRNOYWVSPLDTCN-UHFFFAOYSA-N	255.255	1.133	5	40	CDBB	
Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2)no1	72846892	LWBZQBAXLNEXBF-UHFFFAOYSA-N	262.225	1.216	5	40	CDBB	
CCOC(=O)c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1	85385879	KTUNSQBQTFPWEJ-UHFFFAOYSA-N	292.251	1.469	5	40	CDBB	
CC(=O)N[C@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)O	16320996	ZGRBPNQWNJPFJP-LLVKDONJSA-N	298.320	1.417	5	40	CDBB	
O=[N+]([O-])c1cc2no[n+]([O-])c2cc1N1CCCCC1	5339801	JVZAGLAAFBGAEY-UHFFFAOYSA-N	264.241	1.360	5	40	CDBB	
CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	13511363	CIQJANBBLHBHSL-WEVVVXLNSA-N	280.261	1.967	5	40	CDBB	
O=c1oc2ccccc2c(NCCO)c1[N+](=O)[O-]	13634426	LMWQULDDYOFSED-UHFFFAOYSA-N	250.210	1.105	5	40	CDBB	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(=O)[nH]n1	8343783	YWPAYPBCGFWBCH-UHFFFAOYSA-N	278.199	1.070	5	40	CDBB	
O=[N+]([O-])c1ccccc1NS(=O)(=O)C(F)(F)F	96034520	CAXSPTPOESKZMR-UHFFFAOYSA-N	270.188	1.856	5	40	CDBB	
CN(CC(=O)NC(C)(C)C)c1ncccc1[N+](=O)[O-]	26758834	RYELTDCEJGVRKU-UHFFFAOYSA-N	266.301	1.341	5	40	CDBB	
CN1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1	174357797	SCRFJYDJLDSBFD-UHFFFAOYSA-N	263.297	1.875	5	40	CDBB	
C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1	69670201	AMXALAXYAKVBRA-JTQLQIEISA-N	283.303	1.237	5	40	CDBB	
COC(=O)c1ccn2cc([N+](=O)[O-])cc2c1OC	217656461	VFXHIMPMQGSNNX-UHFFFAOYSA-N	250.210	1.643	5	40	CDBB	
CCOC(=O)[C@H](C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1628055	KUXDAXQUXQMFED-LLVKDONJSA-N	296.235	1.739	5	40	CDBB	
O=C(NC1CC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	2766932	OSAZJXPQVQKWID-UHFFFAOYSA-N	276.252	1.325	5	40	CDBB	
CCc1nnc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)s1	7344376	SCXOHBGCYQLSAJ-UHFFFAOYSA-N	296.312	1.152	5	40	CDBB	
CC(C)(C)c1nnnn1Cc1ccc([N+](=O)[O-])cc1	48706996	SRSWXEUCXPWYFV-UHFFFAOYSA-N	261.285	1.927	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)O	87030418	KHCFNQCPQGZQRW-UHFFFAOYSA-N	252.270	1.404	5	40	CDBB	
C[C@H]1CC[C@H](C(N)=O)CN1Cc1csc([N+](=O)[O-])c1	69623476	APMDQOZLQKPZEZ-WPRPVWTQSA-N	283.353	1.742	5	40	CDBB	
COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1	6590025	NTJBNCBFMVDXAN-UHFFFAOYSA-N	275.264	1.862	5	40	CDBB	
CNC(=O)[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-]	69510294	ZGGOGNSWTNZWQY-LBPRGKRZSA-N	293.323	1.184	5	40	CDBB	
COc1cc(N[C@@H]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-]	95429699	QJZFFNAJAUMUMW-NXEZZACHSA-N	279.296	1.669	5	40	CDBB	
NC(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1	95405863	CKEZCVRFILGKOU-SECBINFHSA-N	297.742	1.946	5	40	CDBB	
COc1cc(OC)cc([C@@H](CC(=O)O)C[N+](=O)[O-])c1	217536039	MRUKXHATYIXJIT-VIFPVBQESA-N	269.253	1.539	5	40	CDBB	
C[C@@H](CNc1ccncc1[N+](=O)[O-])N1CCOC[C@H]1C	79002706	XRCMNIMYAJWEJK-WDEREUQCSA-N	280.328	1.511	5	40	CDBB	
O=[N+]([O-])c1cccnc1NCCCOC[C@@H]1CCOC1	77229534	HOVWZPPFRCBFCL-NSHDSACASA-N	281.312	1.845	5	40	CDBB	
Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2)cc1[N+](=O)[O-]	84189981	NMVQOVCVHYKWRT-ZYHUDNBSSA-N	277.324	1.832	5	40	CDBB	
COc1cc(NCC(=O)NCC(C)C)ccc1[N+](=O)[O-]	95403139	STHXQSBZJKOVLW-UHFFFAOYSA-N	281.312	1.788	5	40	CDBB	
CC[N+](C)(CC)CCN(C)CC[N+](C)(CC)CC	5399842	PNJCADDZCKCQSL-UHFFFAOYSA-N	259.482	1.891	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCC[C@H](CO)C2)c2nonc12	12799252	XYTVOLDNADLSDY-QMMMGPOBSA-N	278.268	1.340	5	40	CDBB	
Cc1cc(NC(=O)N2CC[C@@H](O)C2)ccc1[N+](=O)[O-]	153746945	UJDVFQWVJHJYEQ-SNVBAGLBSA-N	265.269	1.502	5	40	CDBB	
O=C1CCC[C@@H]2[C@@H]3CCC[N@+]4([O-])CCC[C@@H](CN12)[C@H]34	247443847	XVPBINOPNYFXID-MQZQPLMUSA-N	264.369	1.884	5	40	CDBB	biogenic,in-vitro
CN1CCN(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1	4713183	RYGMEXPMXCALHP-UHFFFAOYSA-N	270.720	1.823	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCCO2)n1	2780358	FJVAGSLTILDUFD-PSASIEDQSA-N	282.300	1.109	5	40	CDBB	
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccon2)n1	2767647	CUORWQHHEJHMJL-UHFFFAOYSA-N	251.202	1.052	5	40	CDBB	
Cc1cc(NC[C@@H]2COCCO2)ccc1[N+](=O)[O-]	37999469	ITFGUDUDWWZHIH-LLVKDONJSA-N	252.270	1.731	5	40	CDBB	
CCOc1ccc(N2C[C@H](C(=O)O)CC2=O)c([N+](=O)[O-])c1	70461185	HCEPYSWBUFAIDT-MRVPVSSYSA-N	294.263	1.431	5	40	CDBB	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cnn(C)c1	195566546	YNTNMMUTOBDIHL-QMMMGPOBSA-N	289.295	1.402	5	40	CDBB	
Cc1ccc(OC[C@H](O)Cn2nc([N+](=O)[O-])cc2C)cc1	195562230	LKOGPEPDBODMQW-GFCCVEGCSA-N	291.307	1.848	5	40	CDBB	
C[C@@H](CN1CCN(C)CC1)Nc1ccc(F)cc1[N+](=O)[O-]	69847259	RYYVAXVWKNRPBP-NSHDSACASA-N	296.346	1.782	5	40	CDBB	
O=C1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2ccccc2N1	72288080	XZUIIJZUZYALHZ-KCJUWKMLSA-N	275.264	1.027	5	40	CDBB	
Nc1nonc1OCCNc1ccc(Cl)cc1[N+](=O)[O-]	5511644	OZXQZTOHYLPREX-UHFFFAOYSA-N	299.674	1.704	5	40	CDBB	
COc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1	192502	QIQOIQCLZYRGCT-UHFFFAOYSA-N	276.252	1.589	5	40	CDBB	
O=c1cc(NCc2cc([N+](=O)[O-])ccc2Cl)[nH]c(=O)[nH]1	1750721	NCGYGGUVTFVKHE-UHFFFAOYSA-N	296.670	1.237	5	40	CDBB	
C[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-]	2806700	UZNBKLVSIFCTQU-RKDXNWHRSA-N	266.301	1.637	5	40	CDBB	
CS(=O)(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	13135287	TYCZDTVVQVDADV-UHFFFAOYSA-N	256.283	1.573	5	40	CDBB	
CNc1nnc(Sc2c([N+](=O)[O-])ncn2C)s1	9459843	CBMSKBRFNAQRGN-UHFFFAOYSA-N	272.315	1.373	5	40	CDBB	
NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1Cl	308604555	GNJCSBYPNPOFFS-UHFFFAOYSA-N	254.626	1.035	5	40	CDBB	
CC(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	36617321	LSCWJEBOPDXBBW-UHFFFAOYSA-N	274.280	1.919	5	40	CDBB	
C[C@@H]1CCC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C	6522765	GWKGSCMXUZSZSH-BBBLOLIVSA-N	280.328	1.883	5	40	CDBB	
COCCc1noc(COc2ccc([N+](=O)[O-])cc2)n1	71799792	SRLAXRVFUAVGJV-UHFFFAOYSA-N	279.252	1.746	5	40	CDBB	
CC(C)(C)c1noc(Cn2cccc([N+](=O)[O-])c2=O)n1	75582323	VWPMJDCZLTXYHY-UHFFFAOYSA-N	278.268	1.485	5	40	CDBB	
C[C@@H](O)[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)O	5723060	QJMPRIHAPGGFMA-HZGVNTEJSA-N	272.282	1.026	5	40	CDBB	
Cc1ccc(NC(=O)CN2CCOCC2)cc1[N+](=O)[O-]	16446449	BOIPXFIVKZKDOC-UHFFFAOYSA-N	279.296	1.174	5	40	CDBB	
O=C(Nn1cnnc1)c1ccc([N+](=O)[O-])cc1Cl	327224	PCSUNNOXBPTPNH-UHFFFAOYSA-N	267.632	1.224	5	40	CDBB	
O=[N+]([O-])c1ccc(N[C@H]2CCS(=O)(=O)C2)c(F)c1	20474763	PKVUZBXAWDOQEG-ZETCQYMHSA-N	274.273	1.333	5	40	CDBB	
O=[N+]([O-])C[C@H](OCCCCO)C(Cl)(Cl)Cl	1557949	GSBRMHMSHHQZSN-LURJTMIESA-N	280.535	1.791	5	40	CDBB	
O=C(O)c1c(O)c2cc([N+](=O)[O-])ccc2oc1=O	1705130	BOXYNOCBXWOJQN-UHFFFAOYSA-N	251.150	1.105	5	40	CDBB	
Cc1c(C(=O)O[C@@H]2CCOC2=O)cccc1[N+](=O)[O-]	3244421	QRCCEYWLTVPGTP-SNVBAGLBSA-N	265.221	1.376	5	40	CDBB	
C[C@H]1CN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])CCO1	11233063	MSUZTQQHGOKDPM-VIFPVBQESA-N	298.270	1.360	5	40	CDBB	
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1nccn1C	69351320	HPNRIGKHYZWJBI-UHFFFAOYSA-N	288.307	1.909	5	40	CDBB	
COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1[N+](=O)[O-]	45952963	CSBKJIIANGLWMC-SSDOTTSWSA-N	280.236	1.041	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCO	225536261	ZLRBEGCIWQATIJ-UHFFFAOYSA-N	268.269	1.484	5	40	CDBB	
CCNC(=O)N1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1	95429638	GEGSKTCEHNJAOB-UHFFFAOYSA-N	292.339	1.755	5	40	CDBB	
O=[N+]([O-])c1cnn(Cc2noc(-c3cccs3)n2)c1	59017288	UIILWUGSJDSWBD-UHFFFAOYSA-N	277.265	1.951	5	40	CDBB	
CCOC(=O)COc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]	16682824	UGRYUKOYAQJDMG-UHFFFAOYSA-N	284.224	1.753	5	40	CDBB	
O=C(Nc1nc[nH]n1)c1ccc(Cl)cc1[N+](=O)[O-]	17971910	CPKOOGKEMARBIH-UHFFFAOYSA-N	267.632	1.619	5	40	CDBB	
CC(=O)[C@@H]1C[C@@H](CC(=O)N2CC[N+](C)(C)CC2)C1(C)C	3102259	HVPHBXGPVVDZRF-KBPBESRZSA-N	281.420	1.546	5	40	CDBB	
O=C(OCCO)c1cc([N+](=O)[O-])ccc1N1CCCCC1	25401603	LGDDEEYUZSINNW-UHFFFAOYSA-N	294.307	1.734	5	40	CDBB	
C[C@@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-]	2738480	NBXCVNZSOKGOHE-MRVPVSSYSA-N	252.274	1.343	5	40	CDBB	
Cc1ccc(-c2nc(C(N)=O)c(N)o2)cc1[N+](=O)[O-]	12395561	SDQFNSNMSDORRQ-UHFFFAOYSA-N	262.225	1.239	5	40	CDBB	
COC(=O)[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(C)c2)CN1	14632584	MMEVBSVPDGQZTR-QWRGUYRKSA-N	280.280	1.186	5	40	CDBB	
O=C(CNc1ccc([N+](=O)[O-])cc1Cl)NC1CC1	7903048	XUVRMKUXIRAOFD-UHFFFAOYSA-N	269.688	1.939	5	40	CDBB	
O=C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2N1	72288082	XZUIIJZUZYALHZ-LDYMZIIASA-N	275.264	1.027	5	40	CDBB	
Cc1nc(NCCC[S@](C)=O)ccc1[N+](=O)[O-]	95414922	AFQDWCAGXUYMTO-QGZVFWFLSA-N	257.315	1.479	5	40	CDBB	
CC(C)(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)c(F)c1	75106215	PUMAJQYOGKZPBU-LDYMZIIASA-N	284.262	1.981	5	40	CDBB	
O=C(NCC1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3084254	GGHMICBPXDGGKX-UHFFFAOYSA-N	265.225	1.643	5	40	CDBB	
C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1C[C@@H]2CC[C@@H]1C2	100562723	ONZJXTGMENCZSV-DBIOUOCHSA-N	293.327	1.127	5	40	CDBB	
CON1N=C(N2CCCCC2)O[C@H]1c1ccc([N+](=O)[O-])o1	366973	UKEGNJZDMKHNLQ-NSHDSACASA-N	296.283	1.837	5	40	CDBB	
CC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	25051297	VYXQITKASVDRSK-UHFFFAOYSA-N	277.324	1.926	5	40	CDBB	
CCCNC(=O)CN(CC)Cc1ccccc1[N+](=O)[O-]	97679534	KRDNLYLMVUEGBP-UHFFFAOYSA-N	279.340	1.943	5	40	CDBB	
COCCNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]	4661086	GCATYRPXTJJYCO-UHFFFAOYSA-N	256.218	1.144	5	40	CDBB	
Cc1cnn(CCCCCn2cnc([N+](=O)[O-])n2)c1	71804198	GJSINSPUUXLBEK-UHFFFAOYSA-N	264.289	1.562	5	40	CDBB	
CCc1nccn1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	19942748	VTUUVAGUOGQMSM-UHFFFAOYSA-N	295.320	1.899	5	40	CDBB	
CC[C@@H](C)[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])C(N)=O	95975043	UZQWJUTWMCTEAT-PSASIEDQSA-N	266.301	1.610	5	40	CDBB	
CC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](C)(O)C1	33256	NIJWLQWTWIIXPW-ZDUSSCGKSA-N	277.280	1.454	5	40	CDBB	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	3188205	QGLVMZIDDUDYQZ-JTQLQIEISA-N	266.253	1.434	5	40	CDBB	
C[C@H](Sc1ccccc1)C(CO)(CO)[N+](=O)[O-]	1619011	XUZIWQRNOYKHCT-VIFPVBQESA-N	257.311	1.167	5	40	CDBB	
O=C(OCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cnccn1	6315641	JINDUCLBAMBBIH-UHFFFAOYSA-N	299.246	1.618	5	40	CDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)c1ccccc1	65719167	XLAMEHXAPIUTGK-UHFFFAOYSA-N	274.280	1.763	5	40	CDBB	
C[S@@](=O)CCNCc1cc(Cl)ccc1[N+](=O)[O-]	95399864	ISVXXRQVSJURJW-KRWDZBQOSA-N	276.745	1.716	5	40	CDBB	
O=C(CN(c1ncccc1[N+](=O)[O-])C1CC1)NC1CC1	95944998	YGNNYVXQLLJLLO-UHFFFAOYSA-N	276.296	1.237	5	40	CDBB	
O=[N+]([O-])c1ccc(N2CCCNCC2)c([N+](=O)[O-])c1	37729851	HBQGMUQPONACFE-UHFFFAOYSA-N	266.257	1.303	5	40	CDBB	
C[C@H](C(=O)n1cc(Cl)cn1)n1cc([N+](=O)[O-])cn1	4623215	HFTAOIHZBJCRPD-ZCFIWIBFSA-N	269.648	1.543	5	40	CDBB	
C[C@@H](CO)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	40526295	KCPOXQVHFTYYSD-LURJTMIESA-N	273.676	1.751	5	40	CDBB	
CCC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	6010875	ILGZSKQWIJFKCS-MRVPVSSYSA-N	296.279	1.884	5	40	CDBB	
O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@@H]1[N+](=O)[O-]	47247746	IPIPJZOAFRXSDW-VHDGCEQUSA-N	297.314	1.952	5	40	CDBB	
COc1cc(CNCCc2cnn(C)c2)ccc1[N+](=O)[O-]	95462197	AHDACEFPXHACQQ-UHFFFAOYSA-N	290.323	1.669	5	40	CDBB	
Cn1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1	5740711	LYCDIYDQQXNGCU-UHFFFAOYSA-N	289.295	1.170	5	40	CDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)n2cccc2)c1	16989198	HDUSLQGIEMTPSH-UHFFFAOYSA-N	252.251	1.633	5	40	CDBB	
CC(C)(NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccc(F)c(F)c1	75106214	PUMAJQYOGKZPBU-KWQFWETISA-N	284.262	1.981	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1CC[S@@](=O)c1ccccc1	76391500	YANKJLXTILGARR-FQEVSTJZSA-N	292.316	1.564	5	40	CDBB	
CN(C)C(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	4773940	JORNJVDPZHKPNJ-UHFFFAOYSA-N	280.240	1.025	5	40	CDBB	
C[C@H](Cn1ccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1	47931845	QKCSJADWZQHGRO-SNVBAGLBSA-N	274.280	1.610	5	40	CDBB	
CC1([N+](=O)[O-])COC(c2cccc([N+](=O)[O-])c2)OC1	1679855	DBLXIGQNRVSWES-UHFFFAOYSA-N	268.225	1.676	5	40	CDBB	
COc1ccc(C(=O)Cn2cc([N+](=O)[O-])cn2)cc1	55386881	ZBCDVCQRRSYCCR-UHFFFAOYSA-N	261.237	1.683	5	40	CDBB	
COCC(=O)NC1CCN(c2cccc([N+](=O)[O-])c2)CC1	48289191	WFGJGDZPTHMHFK-UHFFFAOYSA-N	293.323	1.326	5	40	CDBB	
Nc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-]	3912574	NWFNGYIAKAWZGH-UHFFFAOYSA-N	289.251	1.482	5	40	CDBB	
Cc1cnc(OCc2nnnn2C2CC2)c([N+](=O)[O-])c1	89580207	GNQWBMZYWHWIMQ-UHFFFAOYSA-N	276.256	1.199	5	40	CDBB	
Cn1cc(CCCn2cccc([N+](=O)[O-])c2=O)cn1	88239805	NNSDEESVHATXLA-UHFFFAOYSA-N	262.269	1.123	5	40	CDBB	
CS(=O)(=O)Cc1c([N+](=O)[O-])ccc2[nH]cnc12	96532837	JGYURHZOGYUOCX-UHFFFAOYSA-N	255.255	1.016	5	40	CDBB	
CC[C@@H](C(=O)O)n1nc([N+](=O)[O-])cc1Br	953009618	IXXHWJWOBCGNLD-BYPYZUCNSA-N	278.062	1.590	5	40	CDBB	
CCCCN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1	1710396	VZJSHCZIMVUMCT-UHFFFAOYSA-N	266.297	1.829	5	40	CDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccc3c(c2)CCO3)N1	13992149	OTVKACUPKNTJMQ-MFKMUULPSA-N	262.265	1.218	5	40	CDBB	
COc1ccc(OC)c(Cn2cc([N+](=O)[O-])ccc2=O)c1	12778249	DNICVCNFSOECPV-UHFFFAOYSA-N	290.275	1.822	5	40	CDBB	
C[N+]1(CCOc2ccc([N+](=O)[O-])cc2)CCOCC1	4018229	HIKQCBARIKSEQY-UHFFFAOYSA-N	267.305	1.450	5	40	CDBB	
C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	6119969	MOASAVCGJHHBHS-JQWIXIFHSA-N	293.323	1.451	5	40	CDBB	
Cc1cc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)n(C)n1	95436561	SOTUODHGFPVGIM-UHFFFAOYSA-N	274.280	1.913	5	40	CDBB	
CCOc1ccc(-c2ncn(CCO)c2[N+](=O)[O-])cc1	227178	DDLKHRGQHCQCNF-UHFFFAOYSA-N	277.280	1.849	5	40	CDBB	
COC(=O)CSc1nc2sccn2c1[N+](=O)[O-]	1395918	WZGGFVXNIONDRA-UHFFFAOYSA-N	273.295	1.569	5	40	CDBB	
C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(N)=O	3514175	RTJCAGKWCCUFNQ-RXMQYKEDSA-N	272.644	1.279	5	40	CDBB	
Cc1cc(C)n(-c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1	3885129	GGDDDOAXRPZXTE-UHFFFAOYSA-N	296.308	1.045	5	40	CDBB	
O=C(O)c1cn(Cc2ccccc2F)nc1[N+](=O)[O-]	408715897	GLLDDZKBNCVJNZ-UHFFFAOYSA-N	265.200	1.677	5	40	CDBB	
CCCn1nnnc1COc1cc(F)ccc1[N+](=O)[O-]	9951063	KFSPUWDTVUDNBR-UHFFFAOYSA-N	281.247	1.709	5	40	CDBB	
O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1cccnc1	1422046	HCDLJABOZQTKKZ-UHFFFAOYSA-N	275.268	1.605	5	40	CDBB	
COc1ccc([N+](=O)[O-])c2c(O)c3c(cnn3C)nc12	1312841	VWSYJFFUAFESOQ-UHFFFAOYSA-N	274.236	1.744	5	40	CDBB	
C[C@@H]1C[C@H]1C(=O)NC[C@H](O)COc1ccc([N+](=O)[O-])cc1	58162310	ILAHTDREINJOAK-SUZMYJTESA-N	294.307	1.107	5	40	CDBB	
NC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1	44937691	NCRQMFUMGIMGPR-UHFFFAOYSA-N	293.323	1.171	5	40	CDBB	
O=C1O[C@@H](C[N+](=O)[O-])C(Cl)=C1Oc1ccccc1	101463399	VXSOBAMJRBJOEV-QMMMGPOBSA-N	269.640	1.718	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1NCCCN1CCC(O)CC1	60378725	IVFHUDKHNHVBLA-UHFFFAOYSA-N	297.330	1.993	5	40	CDBB	
CCC(=O)N[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1	96429328	WDILKMOADCYPJL-LLVKDONJSA-N	292.339	1.793	5	40	CDBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)NC2CC2)c1	142072356	KUIIJLVCLSKGNO-UHFFFAOYSA-N	256.283	1.177	5	40	CDBB	
O=C(NC1CC1)c1ccc(N2CC[C@@H](O)C2)c([N+](=O)[O-])c1	78774561	QWIQUDPNZZFCIE-LLVKDONJSA-N	291.307	1.058	5	40	CDBB	
C[C@H](Sc1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)O	6260192	XDXVFWINUHFMQW-YFKPBYRVSA-N	271.250	1.858	5	40	CDBB	
O=[N+]([O-])c1ncn(Cc2coc(-c3ccccc3)n2)n1	48603126	DDDSILBUEVXSIA-UHFFFAOYSA-N	271.236	1.890	5	40	CDBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc[n+]([O-])cc1	5559395	WLZDMSNEYLTVKJ-UHFFFAOYSA-N	274.232	1.585	5	40	CDBB	
CCc1ccc(C(=O)Nc2nncn2C)cc1[N+](=O)[O-]	97379617	DHTXINKHUSJUMH-UHFFFAOYSA-N	275.268	1.538	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)O[C@H](C)C1	29218986	GIFOIRRWFBNKSK-NXEZZACHSA-N	294.307	1.995	5	40	CDBB	
CCn1c2ccccc2n2c1nn1c3nnc(S)n3nc12	226849640	MHAJNYXKDOMCHM-UHFFFAOYSA-N	298.335	1.288	5	40	CDBB	
CCS(=O)(=O)[C@@H](C)[C@@H](O)c1cccc([N+](=O)[O-])c1	96519402	DDBJXXUPETWBKC-GZMMTYOYSA-N	273.310	1.451	5	40	CDBB	
CCS(=O)(=O)c1snnc1-c1ccc([N+](=O)[O-])cc1	96525421	KKFPXCOMZXNCCQ-UHFFFAOYSA-N	299.333	1.907	5	40	CDBB	
COCCOc1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	32211075	CLUHKBFRXSEJSB-HYXAFXHYSA-N	267.237	1.718	5	40	CDBB	
CCOC1=NN(c2ncccc2[N+](=O)[O-])C(=O)C1	16687964	NRYAXAIDQGVRIH-UHFFFAOYSA-N	250.214	1.077	5	40	CDBB	
Cc1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1	193305	CMYXOHQJLIMWCX-UHFFFAOYSA-N	260.253	1.889	5	40	CDBB	
O=C(Cn1ccc([N+](=O)[O-])n1)NOCc1ccccc1	43286045	BTFINOWJGVDGNO-UHFFFAOYSA-N	276.252	1.039	5	40	CDBB	
CCC[C@H]1C[C@H]1Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O	96501102	OVAZUXVABJGVNK-WCBMZHEXSA-N	299.352	1.843	5	40	CDBB	
CCCN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O	409223333	FHEHIKVXOPIVAG-VQHVLOKHSA-N	291.263	1.603	5	40	CDBB	
CC(C)C[C@H](CO)NC(=O)NCc1cccc([N+](=O)[O-])c1	95424440	UIJYHJXXSRHYDP-GFCCVEGCSA-N	295.339	1.801	5	40	CDBB	
COCC(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	247663608	UYWJKUXCVQQSMS-GZBFAFLISA-N	256.366	1.585	5	40	CDBB	biogenic,in-vitro
CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O)CC1	19844589	IVCIVEKJLFSWOL-UHFFFAOYSA-N	265.269	1.045	5	40	CDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)N1CCc2sccc2C1	25060645	HRAXYNCUCGPPRW-UHFFFAOYSA-N	292.320	1.438	5	40	CDBB	
NC(=O)CSc1nnc(Cc2ccc([N+](=O)[O-])cc2)o1	4890795	FVPWDLFDSNBFLT-UHFFFAOYSA-N	294.292	1.146	5	40	CDBB	
O=C(Nc1ccc(-n2ccnc2)nc1)c1n[nH]cc1[N+](=O)[O-]	95978276	DHEWCTVXVWPZNR-UHFFFAOYSA-N	299.250	1.151	5	40	CDBB	
CC[C@@](C)(NCc1ccc([N+](=O)[O-])cc1Cl)C(N)=O	97082862	KJVRQFJVOUVWPX-GFCCVEGCSA-N	285.731	1.992	5	40	CDBB	
O=C(O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	37410300	RRVREONUNCADCG-ZCFIWIBFSA-N	270.266	1.346	5	40	CDBB	
CCOC(=O)c1c(N)nc(N)c2cc([N+](=O)[O-])ccc12	224841289	YCWAXJAOWPJHFN-UHFFFAOYSA-N	276.252	1.484	5	40	CDBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)Nc1nc[nH]n1	96118535	OZWQENWULFWMPM-UHFFFAOYSA-N	286.251	1.306	5	40	CDBB	
O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCCC[C@H]2CO)c1	252585538	JFIGOTMBFRJSAJ-NWANDNLSSA-N	294.351	1.769	5	40	CDBB	
Cc1c(CC(=O)N2CCCN(C)CC2)cccc1[N+](=O)[O-]	159183045	OVEIWVFRRSWNIF-UHFFFAOYSA-N	291.351	1.610	5	40	CDBB	
C[C@@H](CC(=O)O)n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	408715669	CHHYLABZUKQBLX-YFKPBYRVSA-N	297.189	1.768	5	40	CDBB	
NC(=O)Cn1nnc2cc3nc4ccccc4nc3cc21	4159286	GQDAIUMIOXQOPV-UHFFFAOYSA-N	278.275	1.013	5	40	CDBB	
O=C1NCCN1[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	65944779	VHZLWZVKLLQJIC-LLVKDONJSA-N	290.323	1.589	5	40	CDBB	
NC(=O)c1cncc(Oc2ccccc2[N+](=O)[O-])c1	97047895	QNKILFOIYGHFJM-UHFFFAOYSA-N	259.221	1.881	5	40	CDBB	
COc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1OC	408973964	RUNLFABJKGLKMF-UHFFFAOYSA-N	280.196	1.463	5	40	CDBB	
O=C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12	17022830	LVPVFWBIIFCUPN-IUCAKERBSA-N	292.295	1.292	5	40	CDBB	
COc1ccc(OCC(=O)N2CCCCC2)c([N+](=O)[O-])c1	32956384	BTASAMBZERROLV-UHFFFAOYSA-N	294.307	1.995	5	40	CDBB	
O=[N+]([O-])c1ccc(Br)cc1NC[C@H](O)CO	85245576	MUVTVIJRXSTDOU-ZETCQYMHSA-N	291.101	1.122	5	40	CDBB	
COC[C@H](O)CNc1ccc([N+](=O)[O-])c2cnccc12	71271603	VXXNFHGBYZNINY-SECBINFHSA-N	277.280	1.562	5	40	CDBB	
Cc1cnn(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1	36611185	BRWLAVYJYOSYTF-UHFFFAOYSA-N	290.279	1.834	5	40	CDBB	
CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	4798255	UQQDFOPSMKZERR-UHFFFAOYSA-N	273.314	1.277	5	40	CDBB	
O=C(Nc1ccccc1[N+](=O)[O-])N1CCC(O)CC1	24233477	UKSGSCLFGRONKA-UHFFFAOYSA-N	265.269	1.583	5	40	CDBB	
CCN1CCC[C@@H]1CNc1ncccc1[N+](=O)[O-]	21790595	AWHJHOOTFXYXFL-SNVBAGLBSA-N	250.302	1.886	5	40	CDBB	
Cc1n[nH]c(C)c1CNc1c([N+](=O)[O-])c(C)nn1C	78806380	PYCHWONPHJIGBR-UHFFFAOYSA-N	264.289	1.589	5	40	CDBB	
Cc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1[N+](=O)[O-]	3280908	WYTVGQVIRKFSJD-SNVBAGLBSA-N	265.221	1.376	5	40	CDBB	
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1nccs1	2788328	ZBTIYTPOMLNHHF-SSDOTTSWSA-N	295.324	1.831	5	40	CDBB	
CC[C@@H](CO)Nc1nc2ccccn2c1[N+](=O)[O-]	12628192	IXGLLYRFWQBXMI-QMMMGPOBSA-N	250.258	1.425	5	40	CDBB	
COc1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1	3912555	FIZMGJPAYYHYMA-UHFFFAOYSA-N	261.241	1.719	5	40	CDBB	
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1O	8329189	HYITYPXZLVFUDO-UHFFFAOYSA-N	274.298	1.331	5	40	CDBB	
NC(=O)[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1	69920988	ZNUUKNSHDBGXQV-GFCCVEGCSA-N	263.297	1.087	5	40	CDBB	
O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccncc1F	97376677	IEMJXLKHAVBQTL-UHFFFAOYSA-N	294.246	1.147	5	40	CDBB	
CCOC(=O)[C@@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2C)C1	45953530	IHHMZQCENIISSI-SNVBAGLBSA-N	292.291	1.819	5	40	CDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC1	22971910	OXJLGTGPUDZMTD-UHFFFAOYSA-N	250.254	1.743	5	40	CDBB	
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)CO1	45523642	FYMBGDBJJJGKLL-SFYZADRCSA-N	254.242	1.437	5	40	CDBB	
Nc1nc(NCCc2ccccc2)ncc1[N+](=O)[O-]	48543841	RQCRLJNTHBHCBJ-UHFFFAOYSA-N	259.269	1.622	5	40	CDBB	
Nc1ncnc(Nc2cc([N+](=O)[O-])ccc2F)c1[N+](=O)[O-]	4059586	ZRNLQKMSMUJDDH-UHFFFAOYSA-N	294.202	1.758	5	40	CDBB	
CCOc1ccc(NCn2cnc([N+](=O)[O-])c2)nc1	19790414	GLXZZOHUKHUXON-UHFFFAOYSA-N	263.257	1.655	5	40	CDBB	
O=C(CCCn1cc([N+](=O)[O-])cn1)NCc1cccs1	4743126	HDGMPGGLMWNAFX-UHFFFAOYSA-N	294.336	1.949	5	40	CDBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(O)nn1	29848357	QNVHGVQKXXLAHM-UHFFFAOYSA-N	288.263	1.363	5	40	CDBB	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@H]12	34781432	ZCYAUKIMNJXVPW-ZYHUDNBSSA-N	278.264	1.057	5	40	CDBB	
CCCN(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1	38021804	GQTQZOPYEHALAC-UHFFFAOYSA-N	252.270	1.891	5	40	CDBB	
Cc1cc(=O)n(Cc2nccn2C(F)F)cc1[N+](=O)[O-]	96474479	RSDJDOASSFLXGN-UHFFFAOYSA-N	284.222	1.705	5	40	CDBB	
O=[N+]([O-])c1ccc(O[C@@H]2CCS(=O)(=O)C2)cc1	5896105	MBZKJSSNDOHCRH-SNVBAGLBSA-N	257.267	1.161	5	40	CDBB	
CCOC(=O)c1ccc(C[N+]2(C)CCOCC2)o1	548996	RBZLFKVTWYVUHV-UHFFFAOYSA-N	254.306	1.433	5	40	CDBB	
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])o1	3202184	UECSQGPEBVKMMB-UHFFFAOYSA-N	288.219	1.610	5	40	CDBB	
COc1ccc(-c2n[n+]3cc([N+](=O)[O-])cnc3[nH]2)cc1	101412490	GNIPOQPOCDTJJZ-UHFFFAOYSA-O	272.244	1.127	5	40	CDBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccncc1	13208186	KKTZNAVSDDCOPE-UHFFFAOYSA-N	269.216	1.790	5	40	CDBB	
C[S@](=O)c1nncn1CCOc1ccc([N+](=O)[O-])cc1	71899919	YSFSSUHQLJSURJ-HXUWFJFHSA-N	296.308	1.003	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1NCCN1C[C@H](C)O[C@H](C)C1	69896110	CHAPEVDOSMIRAW-TXEJJXNPSA-N	294.355	1.819	5	40	CDBB	
C[C@@H](O)C[C@@H](C)CNC(=O)Cc1ccccc1[N+](=O)[O-]	72293631	LEZAMRKIGMRJBA-GHMZBOCLSA-N	280.324	1.661	5	40	CDBB	
C[C@@H]1CNCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	67799781	BCIQACXVOAPJIA-MRVPVSSYSA-N	283.715	1.682	5	40	CDBB	
O=[N+]([O-])c1cnc(N(C[C@H]2CCOC2)C2CC2)nc1	167550289	HVSBXTFENZKEGW-SECBINFHSA-N	264.285	1.390	5	40	CDBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(F)(F)F	1723370	XRDVFLNYXFHPED-UHFFFAOYSA-N	274.154	1.753	5	40	CDBB	
O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@H](O)C2	178977	HGUJHFLMLANSQL-OFWKBQFLSA-N	263.317	1.696	5	40	CDBB	
CC[C@H]([C@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	96519557	FBZARXJSNMVVIV-VXGBXAGGSA-N	287.337	1.842	5	40	CDBB	
Cc1ccc[nH]/c1=N\S(=O)(=O)c1ccccc1[N+](=O)[O-]	368785	HHVHPGOSRTYHNK-UHFFFAOYSA-N	293.304	1.521	5	40	CDBB	
CCOC(=O)[C@@H](C)Oc1cc(C=O)ccc1[N+](=O)[O-]	50517382	VXFUQKIQJBSJOV-MRVPVSSYSA-N	267.237	1.738	5	40	CDBB	
O=[N+]([O-])c1ccccc1C[C@@H](O)CN1CCCCC1	27987645	QNSORKDXNDKKPV-CYBMUJFWSA-N	264.325	1.984	5	40	CDBB	
O=c1ccc([N+](=O)[O-])cn1CCCOCC(F)(F)F	59961809	IZEQNQDFOXNUEU-UHFFFAOYSA-N	280.202	1.726	5	40	CDBB	
CCc1cc2c(c([N+](=O)[O-])c1[N+](=O)[O-])OCCO2	4836787	MJSINTTUBBSGDL-UHFFFAOYSA-N	254.198	1.837	5	40	CDBB	
CN1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1	71893375	HKWWREZTVUWPFF-GFCCVEGCSA-N	277.324	1.205	5	40	CDBB	
O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCCS(=O)(=O)C1	69135966	BTQGXXMUAITZJW-SECBINFHSA-N	288.300	1.723	5	40	CDBB	
O=[N+]([O-])c1cccc(CCNc2ccc3nnnn3n2)c1	95975984	WKRAZSMEXVUYFQ-UHFFFAOYSA-N	285.267	1.082	5	40	CDBB	
O=[N+]([O-])c1ccc(NCCNc2ncccn2)nc1	47996278	BGCSWNBLSQHSGM-UHFFFAOYSA-N	260.257	1.304	5	40	CDBB	
CNc1ccc(C(=O)O[C@H](C)C(C)=O)cc1[N+](=O)[O-]	9924501	ZDHZXDDEFCLVSG-MRVPVSSYSA-N	266.253	1.771	5	40	CDBB	
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCCC1	6059883	JEMQDFFQACGZGG-LBPRGKRZSA-N	280.324	1.820	5	40	CDBB	
CN(C)C(=N)c1cc(C(=N)N(C)C)cc([N+](=O)[O-])c1	4015695	ZMXVCLDZRNLTEX-UHFFFAOYSA-N	263.301	1.369	5	40	CDBB	
Cc1cnc(SCCN2CCOCC2)c([N+](=O)[O-])c1	90069737	CADQRXKVVAFYTQ-UHFFFAOYSA-N	283.353	1.723	5	40	CDBB	
O=c1[nH]c(=O)c2c(-c3ccc([N+](=O)[O-])cc3)ccnc2[nH]1	9419849	QHHQVPAPEVWSDD-UHFFFAOYSA-N	284.231	1.187	5	40	CDBB	
O=c1ccnc(Sc2ncccc2[N+](=O)[O-])[nH]1	17949642	MFMGOTGYGAUBDA-UHFFFAOYSA-N	250.239	1.224	5	40	CDBB	
CC(C)(C(=O)O)n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	408715921	GTPTWPFHBMBYIY-UHFFFAOYSA-N	297.189	1.552	5	40	CDBB	
C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCCC1	63733261	XCWPZCYKBGZILV-JTQLQIEISA-N	292.339	1.391	5	40	CDBB	
Cn1c2ccccc2c2nn3c(S)nnc3nc21	18190798	MILIAARETAWECT-UHFFFAOYSA-N	256.294	1.453	5	40	CDBB	
O=S(=O)(O)c1ccc2c[n+]3ccccc3cc2c1	1713666	SJDDXUUWFVBDRV-UHFFFAOYSA-O	260.294	1.825	5	40	CDBB	
O=C(O)[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-]	22177312	RYEXOGQBKUDZDQ-SNVBAGLBSA-N	264.237	1.284	5	40	CDBB	
C[C@H]1C[C@H](C)CN(C(=O)COc2cccnc2[N+](=O)[O-])C1	12486482	CGBWFWHAZKWCGC-QWRGUYRKSA-N	293.323	1.873	5	40	CDBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCC(F)(F)F	3523423	USSDSEFAZSRYQJ-UHFFFAOYSA-N	296.157	1.023	5	40	CDBB	
COC[C@@]1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	66084192	YNFLLLCSRSJSGQ-CYBMUJFWSA-N	293.279	1.052	5	40	CDBB	
O=Cc1cnc(COc2ccccc2[N+](=O)[O-])nc1	217377548	FYVMGPMYFXBAHI-UHFFFAOYSA-N	259.221	1.776	5	40	CDBB	
COc1ccc(Nc2nc(=O)[nH]c(C)c2[N+](=O)[O-])cc1	5394137	BVIVBMJZGDJLGF-UHFFFAOYSA-N	276.252	1.739	5	40	CDBB	
CC1(C)C[C@@](C)(OC(=O)c2ccc([N+](=O)[O-])cc2)[N+](=O)N1	17061461	VUFHYROKEFJDOU-CYBMUJFWSA-N	294.287	1.934	5	40	CDBB	
Cc1ncc2c(n1)N[C@H](c1ccc([N+](=O)[O-])cc1)NC2	17429543	LUSZVXAVSCONQE-GFCCVEGCSA-N	271.280	1.907	5	40	CDBB	
C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)O	19505789	SKTHPROSYBVKPZ-GJIOHYHPSA-N	264.237	1.197	5	40	CDBB	
O=C(Nc1nc(O)ncc1F)c1ccc([N+](=O)[O-])cc1	1601271	DQXRKOPRJSNSMH-UHFFFAOYSA-N	278.199	1.482	5	40	CDBB	
CNc1ncnc(Sc2nccn2C)c1[N+](=O)[O-]	4002662	NDMHDKGHOFRNNN-UHFFFAOYSA-N	266.286	1.311	5	40	CDBB	
CCOC(=O)CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1	42693849	VYQGHQVUCPVOFY-UHFFFAOYSA-N	280.280	1.538	5	40	CDBB	
CCOCCNC(=O)Cc1ccccc1[N+](=O)[O-]	8051578	DTZOHFIAQZZCOW-UHFFFAOYSA-N	252.270	1.290	5	40	CDBB	
Cc1cnn(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1	2781105	KYSUYTOVALLPBS-UHFFFAOYSA-N	277.284	1.644	5	40	CDBB	
CC(=O)c1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1	2771596	RSGPJHOPJMOJER-UHFFFAOYSA-N	288.263	1.783	5	40	CDBB	
CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	69902802	NSBLFSQGQVDZEH-LDYMZIIASA-N	297.698	1.902	5	40	CDBB	
COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCOCC1	45886647	OOSMKEWPCAVVCE-UHFFFAOYSA-N	283.240	1.348	5	40	CDBB	
C[C@@H](O)CCNc1ccc(C(=O)O)cc1[N+](=O)[O-]	42783888	HTTOYWKIDXAZTD-SSDOTTSWSA-N	254.242	1.476	5	40	CDBB	
CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O	16188904	CIQJANBBLHBHSL-UITAMQMPSA-N	280.261	1.967	5	40	CDBB	
Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccccn2)CC1	8317474	FXHDPCMPAMJAMZ-UHFFFAOYSA-N	288.311	1.050	5	40	CDBB	
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	3887584	QXXOOFQUSPEKGT-SNVBAGLBSA-N	298.320	1.531	5	40	CDBB	
COc1cc(/C=C\[N+](=O)[O-])c([N+](=O)[O-])cc1OC	4946682	LUCVJGSTUQBGFD-ARJAWSKDSA-N	254.198	1.859	5	40	CDBB	
O=[N+]([O-])c1cnccc1NCCCOC[C@@H]1CCOC1	77229493	VRPOQOPUVBCPAJ-NSHDSACASA-N	281.312	1.845	5	40	CDBB	
Cc1ccc(N2C(=O)CN(C)C2=S)c([N+](=O)[O-])c1	95218150	DIFYBHPFJYNRKQ-UHFFFAOYSA-N	265.294	1.467	5	40	CDBB	
CCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	24989601	YDQMAXOXQPYWNG-UHFFFAOYSA-N	292.339	1.732	5	40	CDBB	
C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCCC1	57308098	AOCVPNXQSZWWML-LLVKDONJSA-N	277.324	1.809	5	40	CDBB	
CC(C)(C)NC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1	3249785	OLMPMHCCGPRSRO-UHFFFAOYSA-N	295.295	1.598	5	40	CDBB	
CCN(CC)C(=O)CN(C#N)c1ccc(F)c([N+](=O)[O-])c1	72307069	DUYKPLMYZAOFNZ-UHFFFAOYSA-N	294.286	1.890	5	40	CDBB	
CC(=O)Oc1ccc([C@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1	5482507	ZFPMNJPTDSBBTC-LLVKDONJSA-N	291.263	1.474	5	40	CDBB	
C[C@H]1CC[C@@H](C(N)=O)CN1Cc1csc([N+](=O)[O-])c1	69623488	APMDQOZLQKPZEZ-WCBMZHEXSA-N	283.353	1.742	5	40	CDBB	
COc1ccnc(NCCNc2ccc([N+](=O)[O-])cc2)n1	8780234	ITLUKRSJTUCQLI-UHFFFAOYSA-N	289.295	1.917	5	40	CDBB	
CCN(C)C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1	72302155	NZSFIFXZURAFQS-JTQLQIEISA-N	267.333	1.106	5	40	CDBB	
Cc1ccc(F)cc1OC[C@H](O)Cn1cc([N+](=O)[O-])cn1	189468355	RVAPUFKLYHWPLH-GFCCVEGCSA-N	295.270	1.679	5	40	CDBB	
CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1O	95445028	YFWLORGSAOXBBK-VXNVDRBHSA-N	270.310	1.499	5	40	CDBB	
CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1	58438131	MZKSBDWTTWSEQK-JTQLQIEISA-N	285.731	1.991	5	40	CDBB	
O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	100174535	LOSCZVODBPQGOD-BJDJZHNGSA-N	286.243	1.038	5	40	CDBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1	5054358	RAEWSJUXRXPOJR-UHFFFAOYSA-N	278.272	1.238	5	40	CDBB	
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C2OCCO2)C1	71904178	BWKGHJOSDDAQMD-NSHDSACASA-N	293.323	1.888	5	40	CDBB	
CC(C)(C)c1ccc(OCC(N)=O)c([N+](=O)[O-])c1	216908922	NYDFROJTEXTGPO-UHFFFAOYSA-N	252.270	1.756	5	40	CDBB	
CCOC(=O)c1nn(CC(F)(F)F)cc1[N+](=O)[O-]	148255636	SFLNQWAWLXGXQN-UHFFFAOYSA-N	267.163	1.530	5	40	CDBB	
O=C(N[C@H]1CCCCNC1=O)c1csc([N+](=O)[O-])c1	48702539	DJXBDJMPEBYNMJ-QMMMGPOBSA-N	283.309	1.055	5	40	CDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](C)C1	12527725	GNAWLNLUHPAAPC-VIFPVBQESA-N	280.280	1.607	5	40	CDBB	
O=c1nc(Oc2ccc([N+](=O)[O-])cc2)nc2ccccn12	1565803	RGANQBKKOUPJTE-UHFFFAOYSA-N	284.231	1.790	5	40	CDBB	
O=C(NCCCN1CCCC1)c1ccc([N+](=O)[O-])cc1	7071363	YWPOPQXJBJOPCK-UHFFFAOYSA-N	277.324	1.811	5	40	CDBB	
Cc1c([N+](=O)[O-])c(C(=O)N2CCC(C)CC2)nn1C	2778468	DBSCXYCRGHFBAA-UHFFFAOYSA-N	266.301	1.509	5	40	CDBB	
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1	67799238	GDLFHXXLAOQHDT-QMMMGPOBSA-N	283.715	1.682	5	40	CDBB	
CCN(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	97081182	XEOXXCLWUDFRLB-GFCCVEGCSA-N	277.280	1.566	5	40	CDBB	
COC(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1	39172432	BOOYRBYTGHKMIS-UHFFFAOYSA-N	264.237	1.508	5	40	CDBB	
CCNC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Cl	217747222	TYBQIGVZQFCZHJ-UHFFFAOYSA-N	273.632	1.906	5	40	CDBB	
Cc1ccc(NC[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1	95428402	DVNDPKHOPUKWNP-LBPRGKRZSA-N	295.339	1.008	5	40	CDBB	
O=Cc1cccn1S(=O)(=O)c1ccccc1[N+](=O)[O-]	165530	MCTHUUKDTCXRFO-UHFFFAOYSA-N	280.261	1.446	5	40	CDBB	
C[C@H]1CN(c2ccc(C(=O)O)cc2[N+](=O)[O-])C[C@H](C)O1	15443281	MTYJFJLVTITZPT-IUCAKERBSA-N	280.280	1.907	5	40	CDBB	
O=[N+]([O-])c1cc2c(c(CN3CCC[C@H](O)C3)c1)OCOC2	16695548	HGYZNBYSTHVBDB-ZDUSSCGKSA-N	294.307	1.418	5	40	CDBB	
O=c1ccn(Cc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-]	89884690	VOJOACOJUHNRJB-UHFFFAOYSA-N	288.219	1.448	5	40	CDBB	
Cc1nn(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C	71883717	QVMCRRCUOMHBLT-UHFFFAOYSA-N	290.279	1.903	5	40	CDBB	
NC(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	5945945	BRRBXRFLGVZCNE-UHFFFAOYSA-N	299.286	1.875	5	40	CDBB	
CNC(=O)c1ccc(N2CCOCC[C@H]2C)c([N+](=O)[O-])c1	95983985	PLDHCOBJENJPEY-SNVBAGLBSA-N	293.323	1.570	5	40	CDBB	
Cc1c(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-]	69581021	GNVYTMPRYUWXIM-GWCFXTLKSA-N	291.351	1.989	5	40	CDBB	
O=C(OCC(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])o1	8514527	NYFRPFUEWBBGJM-UHFFFAOYSA-N	296.279	1.747	5	40	CDBB	
C[C@@H]1CCO[C@@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1	95973866	LESJTQOUFAXXCN-SKDRFNHKSA-N	264.281	1.983	5	40	CDBB	
COCCCNc1ccc(C(=O)OC)cc1[N+](=O)[O-]	72672588	AUFSYDJRTIUXME-UHFFFAOYSA-N	268.269	1.830	5	40	CDBB	
COC(=O)c1cc(-c2ccc(OC)c([N+](=O)[O-])c2)n[nH]1	30769230	GTSISNNFDJQXOF-UHFFFAOYSA-N	277.236	1.780	5	40	CDBB	
COC(=O)CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	42370252	CLIAEBZIEWUAJT-RMKNXTFCSA-N	292.291	1.677	5	40	CDBB	
CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1	94774142	RQYQGRFKCJRQNF-UHFFFAOYSA-N	253.277	1.481	5	40	CDBB	
C[C@@H](CCO)NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	3067811	KCZICZNERIYIMK-FGEFZZPRSA-N	264.281	1.495	5	40	CDBB	
Cc1c(CC(=O)N2CCC[C@@H]2CO)cccc1[N+](=O)[O-]	153816222	FBTPGSAGWCQGTD-GFCCVEGCSA-N	278.308	1.429	5	40	CDBB	
C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	12812483	IQXLXCPFGHDUPW-SNVBAGLBSA-N	277.324	1.926	5	40	CDBB	
CSC1=NCCN1C(=O)c1ccc([N+](=O)[O-])cc1	4119737	UVLOFJALEGQSGS-UHFFFAOYSA-N	265.294	1.770	5	40	CDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccncc2)cc1	221738	VMGWRBFEMCOCIV-UHFFFAOYSA-N	279.277	1.791	5	40	CDBB	
CCOc1ccc(C(=O)COC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1	32933344	RHMGFXKVVWOSIG-NWDGAFQWSA-N	293.275	1.476	5	40	CDBB