smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cn1c(=O)n(C)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cc([N+](=O)[O-])ccc23)c1=O	587648764	KRGRJGGTVCDWSC-UHFFFAOYSA-N	433.424	1.780	5	1	IDBF	
CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CC1	586957263	UWSKIJHDYOTQGV-UHFFFAOYSA-N	429.458	1.991	5	1	IDBF	
COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@@]34O	263603429	NMDDWSIRDRACCC-XMAKEJDDSA-N	425.505	1.574	5	1	IDBF	
CC(=O)NS(=O)(=O)c1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1	1857638289	PXPWJULYAIBUJE-SFHVURJKSA-N	432.414	1.659	5	1	IDBF	
COC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084418	WFNXOGKCVPUTIU-CYBMUJFWSA-N	438.487	1.817	5	1	IDBF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12	5822368	NGPQAQPGFXJSES-SQNIBIBYSA-N	430.420	1.580	5	1	IDBF	
O=c1ccn(CO[C@@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(=O)[nH]1	40720184	DYBFLTDKRZVCBB-WZJAAPJDSA-N	431.269	1.360	5	1	IDBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(OC)cc2c1=O	299819051	CJHZKPCUXAQZCW-CYBMUJFWSA-N	430.417	1.661	5	1	IDBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3[nH]nnc3=N)c2c1	587620793	HCXCKUCOOSVWTJ-UHFFFAOYSA-N	444.433	1.582	5	1	IDBF	
Cc1cn(CO[C@@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]c1=O	27737169	VFMWJZPDATTZBK-GKXFIBDASA-N	445.296	1.668	5	1	IDBF	
N=C(N)c1ccc(OCCOCCOc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	1857537508	GDSJEVSAQFKYII-UHFFFAOYSA-N	432.393	1.546	5	1	IDBF	
NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1	15937503	CQEHEJVPHGZSKF-IBGZPJMESA-N	441.488	1.685	5	3	IDBF	
Cc1cn(CO[C@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]c1=O	27737175	VFMWJZPDATTZBK-PWNDQGHQSA-N	445.296	1.668	5	1	IDBF	
C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCOCCN(C)C	82083951	SAOPIXZYSNODDY-ZDUSSCGKSA-N	436.490	1.958	5	1	IDBF	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-]	11671923	PJPNJBQLHZDAMO-UHFFFAOYSA-N	447.469	1.504	5	1	IDBF	
COc1ccc(NC(=O)CNc2c([N+](=O)[O-])cc(C(=O)NCCO)cc2[N+](=O)[O-])cc1	27104851	KKACZLLSFRWKSQ-UHFFFAOYSA-N	433.377	1.284	5	1	IDBF	
CC(=O)NS(=O)(=O)c1ccc(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)O2)cc1	1857752900	BZLAZYNBSCZGPD-SFHVURJKSA-N	432.414	1.659	5	1	IDBF	
CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2)CC1	586957006	OPNIPHKCZSBATP-UHFFFAOYSA-N	429.458	1.991	5	1	IDBF	
CN(C)CCOc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587273257	RCYNQCNVZDLXDU-ROUUACIJSA-N	429.433	1.445	5	1	IDBF	
CCCCn1c(=O)c2ccc3c(=O)n(CCCN4CCOCC4)c(=O)c4ccc(c1=O)c2c34	1857764957	YPPQLIJRRMLPIR-UHFFFAOYSA-N	449.507	1.588	5	1	IDBF	
O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	2483162	TUQALBFJZNNMRP-SNVBAGLBSA-N	445.359	1.868	5	1	IDBF	
C[N+]1(C)CCO[C@@](O)(c2ccc(CCc3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	27858192	HKVXMMIOFLZEIL-CLJLJLNGSA-N	442.600	1.975	5	1	IDBF	
O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)C1CCOCC1	95864556	OOUAIDHSOWMSEK-ZMSDIMECSA-N	439.490	1.058	5	1	IDBF	
CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	13150502	OFRDFNWDIPDQED-GOSISDBHSA-N	429.452	1.961	5	3	IDBF	
Cc1nnnn1-c1ccc(CC(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1	96938232	OSVNJXOSFVZKDW-UHFFFAOYSA-N	435.488	1.808	5	1	IDBF	
O=c1ccn(CO[C@@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(=O)[nH]1	40720186	DYBFLTDKRZVCBB-GVLKWCPMSA-N	431.269	1.360	5	1	IDBF	
O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)c1cccnc1	95866765	YNRKLEMPXPFKNR-BFYDXBDKSA-N	432.458	1.340	5	1	IDBF	
COCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148259	XSMFNIOXQLJDHR-OAHLLOKOSA-N	442.476	1.520	5	1	IDBF	
O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(C(F)(F)F)ccc2c1=O	299823065	RUBXWSBFBQNWOT-SNVBAGLBSA-N	426.307	1.884	5	1	IDBF	
O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12	27554509	FJKKVOAZFMLBII-UHFFFAOYSA-N	433.218	1.746	5	1	IDBF	
COC[C@@H]1O[C@H](OC)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2356860445	ZIVBARLRQMBESA-XGYYKPKNSA-N	442.377	1.566	5	1	IDBF	
O=[N+]([O-])c1ccc(-n2nnnc2S(=O)(=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	169331784	WEKLBRLOXWFJOI-UHFFFAOYSA-N	435.334	1.361	5	1	IDBF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2[C@@H](O)C[N+](=O)[O-]	27315734	XZRNYOJHSMDZJD-JTSKRJEESA-N	437.408	1.390	5	1	IDBF	
CN(CC(=O)N[C@@H]1CCCCNC1=O)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085614	NHGWMEHTPQSWHQ-CQSZACIVSA-N	431.474	1.575	5	1	IDBF	
CN(CC(=O)N1CCc2ccccc2C1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95602925	ODWVTFODQGMPAH-UHFFFAOYSA-N	431.470	1.655	5	1	IDBF	
COc1cc2ccc3cc(O)ccc3c2c(OC)c1C[C@@H]1C[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356328592	CMEUQMKZDDKCDS-ZUAJZXQQSA-N	428.481	1.969	5	1	IDBF	
COC(=O)C1=C(C)N2[C@H](C(=O)O)CO[C@@]2(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	31872584	XAYUVMLLMIQBLD-PEMDQYIBSA-N	434.401	1.430	5	1	IDBF	
COc1cc2c(cc1OC)[C@@]13CC[N+]4(CO)CC5=CCO[C@H](CC(=O)O)[C@@H]([C@@H]1N2)[C@H]5C[C@@H]34	238731338	YGKGCICHPPWMEO-APFAUVKESA-O	443.520	1.724	5	1	IDBF	
CN1CCN(CCCNC(=O)CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1	82084846	UKUNWEPAYDXWSI-UHFFFAOYSA-N	446.533	1.202	5	1	IDBF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82216951	BQWRAPMPIOOUCN-HNNXBMFYSA-N	440.460	1.226	5	1	IDBF	
CSc1ccc(S(=O)(=O)NCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1[N+](=O)[O-]	586941789	WQNJWTLUSDXPKD-UHFFFAOYSA-N	446.474	1.647	5	1	IDBF	
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O	28563201	WKMSOAQATBFEBB-VHSXEESVSA-N	438.351	1.055	5	1	IDBF	
O=C1CC(=O)Nc2cc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2N1	15936471	NYZSUFCOGQHIBB-UHFFFAOYSA-N	445.457	1.386	5	3	IDBF	
NC(=O)c1cc(N2CCC(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CC2)ccc1[N+](=O)[O-]	587263593	VZYRTRPAUYGOMO-UHFFFAOYSA-N	444.473	1.601	5	1	IDBF	
C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@@H]1CCCCNC1=O	82083047	KRLPOCLAJDGHPA-DGCLKSJQSA-N	431.474	1.622	5	1	IDBF	
N=C(N)c1ccc(NCCOCCNc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	1857538710	JPZRUGMREYZSPK-UHFFFAOYSA-N	430.425	1.612	5	1	IDBF	
COC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	201466049	JDROMQPTPZAUSN-OAHLLOKOSA-N	439.490	1.407	5	3	IDBF	
O=c1ccn(CO[C@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(=O)[nH]1	27737157	DYBFLTDKRZVCBB-VOQKPRERSA-N	431.269	1.360	5	1	IDBF	
O=C(O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	169344449	RZJQSNMDLPXBRA-FYVMSYKNSA-N	447.463	1.725	5	1	IDBF	
COC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	201466083	JDROMQPTPZAUSN-HNNXBMFYSA-N	439.490	1.407	5	3	IDBF	
COC(=O)C1(C(=O)OC)CC=CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	1857626421	KOUZJCGNGGADQH-UHFFFAOYSA-N	426.447	1.658	5	1	IDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1	253634215	DQTGYYLVRAOYIB-ANQOARCNSA-O	439.488	1.360	5	1	IDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Br)c(O)c2[nH]1	587271779	HBPUAIDPYSVIGB-KBPBESRZSA-N	437.206	1.972	5	1	IDBF	
CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1772616630	CKBSSLROVOVDML-WMZOPIPTSA-N	433.442	1.560	5	1	IDBF	
COCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82134566	WBZVTUVQSRNAKH-HNNXBMFYSA-N	442.476	1.520	5	1	IDBF	
COC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1	201466002	KYEMBXXAFCKCQP-HNNXBMFYSA-N	439.490	1.407	5	3	IDBF	
CC(=O)N1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82148090	IFALTBVGHXDLDR-UHFFFAOYSA-N	440.460	1.193	5	1	IDBF	
COc1cc(O)c2c(=O)c3cc4c(c(OC)c3n(C)c2c1OC)O[C@H](C(C)(C)O)[C@@H]4O	15261884	JDUXUADRHUGSLD-UTKZUKDTSA-N	431.441	1.988	5	1	IDBF	biogenic
NC(=O)c1cc(N2CCC(c3nc4ccc(-n5cnnn5)cc4[nH]3)CC2)ccc1[N+](=O)[O-]	587263295	QWGUAVDJHCVOIC-UHFFFAOYSA-N	433.432	1.930	5	1	IDBF	
COc1ccc2c(c1)C(=O)C(=O)N2CCN1CCN(NCc2ccc([N+](=O)[O-])o2)CC1	1772589226	ZLDLVCUWKKMCSX-UHFFFAOYSA-N	429.433	1.048	5	1	IDBF	
COc1cc2oc3cc(OC)c([C@@H]4O[C@H](CO)C[C@@H](O)[C@H]4O)cc3c(=O)c2cc1OC	2356510766	KVLLCSQUAUVAGT-NEAAPGTKSA-N	432.425	1.516	5	1	IDBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCO	4152179	YJQMQQQMMCSOFM-ICSRJNTNSA-N	443.412	1.923	5	1	IDBF	
O=c1cc[nH]c(=O)n1[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2CO1	29128378	KVWJNTPNOJAFQB-GOSISDBHSA-N	444.425	1.369	5	1	IDBF	
C[C@H](NC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)OCc1ccc([N+](=O)[O-])cc1)C(N)=O	66076324	DKYGXOQSYMXXJT-OYHNWAKOSA-N	440.456	1.909	5	1	IDBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(N)(=O)=O)c2[nH]1	587266018	IIFOZHJURWJDMU-XLKFXECMSA-N	436.406	1.561	5	1	IDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1	28953262	DYBPFBXLALHECC-UHFFFAOYSA-N	435.414	1.566	5	1	IDBF	
O=[N+]([O-])c1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c([N+](=O)[O-])c1	587265917	YEXBXMQKXXHDMC-UHFFFAOYSA-N	447.429	1.991	5	1	IDBF	
CN(C)CCOCCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085826	OSVAKMSFAZLQIQ-UHFFFAOYSA-N	436.490	1.912	5	1	IDBF	
CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cc(S(N)(=O)=O)ccc2F)CC1	653847483	FEGALAJPDDOXAS-UHFFFAOYSA-N	437.453	1.385	5	1	IDBF	
CSc1ccc(C(=O)O)c2nc3cccc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c3nc12	198618487	VGDKDGBMEZJAMP-ZUWNDLIGSA-N	432.454	1.409	5	1	IDBF	
COCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82136018	FRXXCVBVTYCSHI-AWEZNQCLSA-N	428.449	1.130	5	1	IDBF	
COc1cc2ccc3cc(O)ccc3c2c(OC)c1C[C@@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356328590	CMEUQMKZDDKCDS-JMORWYBYSA-N	428.481	1.969	5	1	IDBF	
O=CNC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	45256790	JRAAASNPVXEUKL-INIZCTEOSA-N	447.423	1.720	5	1	IDBF	
CN(C)CCCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23	5580959	FUFIQEAPORJTAW-UHFFFAOYSA-N	435.528	1.491	5	1	IDBF	
COc1cc(O[C@@H]2C[C@H](CO)[C@H](OC)[C@@H](O)[C@@H]2O)cc2c1c(=O)oc1cc(O)cc(C)c12	2356720070	PDRMBHJHPAWGEC-AHGLFGGHSA-N	446.452	1.465	5	1	IDBF	
CCOC(=O)CN1C(=O)COc2cc(F)c(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc21	103175974	GTVXXMLJRHAZLB-UHFFFAOYSA-N	443.343	1.823	5	1	IDBF	
CSc1ccc(C(=O)O)c2nc3cccc(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)c3nc12	2356469630	VGDKDGBMEZJAMP-XFJIBFTRSA-N	432.454	1.409	5	1	IDBF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82134753	UQVDYIXOSXFRFG-OAHLLOKOSA-N	440.460	1.226	5	1	IDBF	
NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1	15937501	CQEHEJVPHGZSKF-LJQANCHMSA-N	441.488	1.685	5	3	IDBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCO)cc1	4039779	SPHVEDLCCVYPLG-AZUAARDMSA-N	442.428	1.590	5	1	IDBF	
O=c1cc[nH]c(=O)n1[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2CO1	29128374	BGUATXCWHKONGP-SFHVURJKSA-N	444.425	1.369	5	1	IDBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCO	4152178	YJQMQQQMMCSOFM-AZUAARDMSA-N	443.412	1.923	5	1	IDBF	
CN(C)S(=O)(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587271660	IMXGQGGBSYMNLW-HNNXBMFYSA-N	446.489	1.620	5	1	IDBF	
COCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82136019	FRXXCVBVTYCSHI-CQSZACIVSA-N	428.449	1.130	5	1	IDBF	
N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587219777	LOSXYMMOHTWAAS-MFKMUULPSA-N	436.428	1.483	5	1	IDBF	
Cn1c(=O)n(C)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cccc([N+](=O)[O-])c23)c1=O	587648507	GBZCIDOUJKRLEU-UHFFFAOYSA-N	433.424	1.780	5	1	IDBF	
O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)c1cccs1	1818662	GIVJSURLNAIPHJ-ZWKOTPCHSA-N	443.481	1.940	5	1	IDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1	28757547	DQTGYYLVRAOYIB-DEMACUESSA-O	439.488	1.360	5	1	IDBF	
CN1CCN(CCCNC(=O)CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)CC1	82084899	OWOBZOZVUMMRIX-UHFFFAOYSA-N	446.533	1.202	5	1	IDBF	
O=C(O)c1cn2c(n1)CN(c1cc3c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn3C1CC1)CC2	40391692	WAZNWXUMTDZEQQ-UHFFFAOYSA-N	439.384	1.858	5	1	IDBF	
COC(=O)[C@H](c1ccc2c(O)nc(O)nc2n1)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1	587554166	JMMVPKLDFZCBOT-LRDDRELGSA-N	444.400	1.770	5	1	IDBF	
COc1cc2ccc3cc(O)ccc3c2c(OC)c1C[C@@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356328586	CMEUQMKZDDKCDS-AHZHHPLNSA-N	428.481	1.969	5	1	IDBF	
CNC(=O)NCCNCCNC(=O)c1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12	1772636658	PLLPXDSWZPVIRG-UHFFFAOYSA-O	433.536	1.856	5	1	IDBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCCC(=O)OCCn1c([N+](=O)[O-])cnc1C	38800433	MXWPWKGDICXNHS-UHFFFAOYSA-N	438.397	1.470	5	1	IDBF	
Cc1ccc(C(=O)NCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1	73199181	MPFXTFRQLUBPKI-UHFFFAOYSA-O	448.979	1.619	5	1	IDBF	
CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(OC)cc2c1=O	299819056	CJHZKPCUXAQZCW-ZDUSSCGKSA-N	430.417	1.661	5	1	IDBF	
O=C1NC(=O)/C(=C/c2ccc(OCCN3CCS(=O)(=O)CC3)c([N+](=O)[O-])c2)S1	139507687	JIQPBRYCSIMFPO-UVTDQMKNSA-N	427.460	1.028	5	1	IDBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587270655	PVJRCZPDAMYDHJ-UHFFFAOYSA-N	446.441	1.884	5	1	IDBF	
N=C1NC(=O)/C(=C/c2cn(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)[nH]c2=O)S1	73157450	MPSMSGFGSFJFCW-CHHVJCJISA-N	439.409	1.892	5	1	IDBF	
N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587219780	LOSXYMMOHTWAAS-ZWNOBZJWSA-N	436.428	1.483	5	1	IDBF	
CC(=O)N1CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149435	IFDBIFVDUWNHKH-UHFFFAOYSA-N	440.460	1.193	5	1	IDBF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])c4c(cc3nc2-1)OCO4	586529	DMUCLZLYDBNSRL-NRFANRHFSA-N	437.364	1.717	5	1	IDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	587271687	FLRZYDIOJHZQHH-IUCAKERBSA-N	446.729	1.918	5	1	IDBF	
CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)CC1	586956765	HBTMNRSGYJAHOZ-UHFFFAOYSA-N	430.446	1.386	5	1	IDBF	
CS(=O)(=O)c1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc([N+](=O)[O-])c1Cl	586925732	IKYUDXBOOWCXHS-UHFFFAOYSA-N	430.851	1.842	5	1	IDBF	
COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCNCC2)c(=O)c2cc([N+](=O)[O-])ccc12	1772573577	AJWWCEIFWTXJEW-UHFFFAOYSA-N	449.467	1.820	5	1	IDBF	
COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2nc1NC[C@H]1CCCO1	19234386	HTZSQZKOKLLZAK-OAHLLOKOSA-N	425.489	1.908	5	3	IDBF	
COCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1	82134559	JFIZQRYCQHXBPE-UHFFFAOYSA-N	442.476	1.487	5	1	IDBF	
COC(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1OC	587272125	KMOCNXQTCQMSKL-GJZGRUSLSA-N	430.373	1.299	5	1	IDBF	
COC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1	201465966	KYEMBXXAFCKCQP-OAHLLOKOSA-N	439.490	1.407	5	3	IDBF	
COC[C@@H]1O[C@H](OC)[C@@H]2OC(C)(C)O[C@H]2[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2356860443	ZIVBARLRQMBESA-JGFGOLAASA-N	442.377	1.566	5	1	IDBF	
C[N+]1(C)CCO[C@@](O)(c2ccc(CCc3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	27858199	HKVXMMIOFLZEIL-WMPKNSHKSA-N	442.600	1.975	5	1	IDBF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12	1857648	NGPQAQPGFXJSES-KURKYZTESA-N	430.420	1.580	5	1	IDBF	
COCCCNc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc([N+](=O)[O-])c2)n1	82135516	ZPEKLRJAKGMBCG-UHFFFAOYSA-N	442.476	1.805	5	1	IDBF	
N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1	587217983	DRZLGCRYMDMDSD-OLZOCXBDSA-N	436.428	1.483	5	1	IDBF	
COc1cc2ccc3cc(O)ccc3c2c(OC)c1C[C@@H]1C[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356328588	CMEUQMKZDDKCDS-FFBFQLMOSA-N	428.481	1.969	5	1	IDBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@](c3ccc([N+](=O)[O-])cc3)(C(F)(F)F)N2C(=O)[C@@H]2CCCN12	963208346	STJLEECLEUCSLS-SUNYJGFJSA-N	435.362	1.882	5	1	IDBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@](c3ccc([N+](=O)[O-])cc3)(C(F)(F)F)N2C(=O)[C@@H]2CCCN12	963208341	STJLEECLEUCSLS-DEYYWGMASA-N	435.362	1.882	5	1	IDBF	
CC(=O)c1ccc(NC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1772616628	CKBSSLROVOVDML-FUHWJXTLSA-N	433.442	1.560	5	1	IDBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587270789	OVBYLDDAVYIMMP-SFHVURJKSA-N	438.488	1.464	5	1	IDBF	
Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc([N+](=O)[O-])ccc4O3)O2)c(=O)[nH]c1=O	25990613	SRMWBQBYWCFQTM-ADPVGMCCSA-N	437.301	1.941	5	1	IDBF	
Cc1c2cc[n+]([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12	299820362	NKTMBMKUWRNUMI-CZIXKKEKSA-O	425.461	1.057	5	1	IDBF	
O=C(N[C@@H](CO)C(=O)N1CCCC1)c1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1	653813220	ZKMCEUXZMOQYFA-JTQLQIEISA-N	432.380	1.936	5	1	IDBF	
COc1ccc2nc3c(C)c4ccn([C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1	377376562	DQTGYYLVRAOYIB-FRPFDOCJSA-N	438.480	1.941	5	1	IDBF	
COC(=O)c1ccnc2[nH]c(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc12	586940854	IBTKHGTXQQOTSR-UHFFFAOYSA-N	437.459	1.853	5	1	IDBF	
N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1	587217982	DRZLGCRYMDMDSD-CHWSQXEVSA-N	436.428	1.483	5	1	IDBF	
C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@H]1CCCCNC1=O	82082833	PYXUDKISGQNWKZ-FZMZJTMJSA-N	431.474	1.622	5	1	IDBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(Cn2cnc([N+](=O)[O-])n2)n1	587871258	DSNJBOHRNVOADJ-UHFFFAOYSA-N	426.368	1.978	5	1	IDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1	28757550	DQTGYYLVRAOYIB-XNZCMHNBSA-O	439.488	1.360	5	1	IDBF	
COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@]34O	255246758	NMDDWSIRDRACCC-HTZCLLBCSA-N	425.505	1.574	5	1	IDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1	28757552	DQTGYYLVRAOYIB-KCDSLRJUSA-O	439.488	1.360	5	1	IDBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587261276	AKEYQRUVMPSDPK-VHDGCEQUSA-N	436.490	1.244	5	1	IDBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587267436	YPUNVICWHYPUJE-VXJOIVPMSA-N	436.406	1.561	5	1	IDBF	
NC(=O)c1cc(N2CCC(c3nc4cccc(S(N)(=O)=O)c4[nH]3)CC2)ccc1[N+](=O)[O-]	587262574	CPHBMROMKYUGEF-UHFFFAOYSA-N	444.473	1.601	5	1	IDBF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82216952	BQWRAPMPIOOUCN-OAHLLOKOSA-N	440.460	1.226	5	1	IDBF	
CN(Cc1cccc(F)c1)C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95602086	APYYXLYDABDOCF-UHFFFAOYSA-N	437.449	1.916	5	1	IDBF	
CN1CCN(C(=O)c2cnc3ccn(S(=O)(=O)c4ccccc4[N+](=O)[O-])c3c2)CC1	43012120	CZJZBZZBSXXTPH-UHFFFAOYSA-N	429.458	1.569	5	1	IDBF	
O=[n+]1c2cc(CN3CCOCC3)c(CN3CCOCC3)cc2n(O)c2cccc(O)c21	73258469	UYSGRCKYQDYYNW-UHFFFAOYSA-O	427.481	1.316	5	1	IDBF	
CCOC(=O)Cc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587273421	SXPIFHKFYUGFAU-ROUUACIJSA-N	428.401	1.610	5	1	IDBF	
Nc1ccccc1-c1nnc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1N	1857756090	ISYGREISTMZFLB-UHFFFAOYSA-N	425.434	1.756	5	1	IDBF	
C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCOCCN(C)C	82083646	JCSVNQUEHVYCBI-CYBMUJFWSA-N	436.490	1.958	5	1	IDBF	
C=CC(=O)Nc1ccnc(Sc2c(OC)nc(N3CC[N+](C)([O-])CC3)nc2OC)n1	103254894	CSCRCQVILNFDPX-UHFFFAOYSA-N	433.494	1.324	5	1	IDBF	
COc1cc2oc3cc(OC)c([C@@H]4O[C@H](CO)C[C@@H](O)[C@@H]4O)cc3c(=O)c2cc1OC	2356510765	KVLLCSQUAUVAGT-FCLPULRESA-N	432.425	1.516	5	1	IDBF	
O=C(c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1)N1CCN(CCO)CC1	587159526	QJSJBGSWCUDYGX-UHFFFAOYSA-N	443.435	1.939	5	1	IDBF	
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccn3c(=O)c4ccccc4nc23)CC1	2957231	RTSXPQVIOICZRH-UHFFFAOYSA-N	433.512	1.794	5	1	IDBF	
O=C(c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1)N1CCN(CCO)CC1	587273246	JKXZCYOKALLUOM-UHFFFAOYSA-N	427.465	1.051	5	1	IDBF	
O=C(c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1)N1CCN(CCO)CC1	587268524	BVFRUWKHKVFPHZ-UHFFFAOYSA-N	425.449	1.228	5	1	IDBF	
CN(CC(=O)N[C@@H]1CCCCNC1=O)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82089353	HUNVRNUTXOSBLE-CYBMUJFWSA-N	431.474	1.575	5	1	IDBF	
O=C(c1ccco1)N1CCN([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)S(=O)(=O)C2)CC1	61923716	USJAADVCYSJIQO-KRWDZBQOSA-N	434.474	1.160	5	3	IDBF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82134751	UQVDYIXOSXFRFG-HNNXBMFYSA-N	440.460	1.226	5	1	IDBF	
O=C(O)C1CCN(Cc2cc3[nH]c(=O)c(O)nc3c([N+](=O)[O-])c2Br)CC1	27759097	AQDIJGGSEGJNHH-UHFFFAOYSA-N	427.211	1.596	5	1	IDBF	
C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@H]1CCCCNC1=O	82083048	KRLPOCLAJDGHPA-AAEUAGOBSA-N	431.474	1.622	5	1	IDBF	
C[N+]1(C)CCO[C@](O)(c2ccc(CCc3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	27858205	HKVXMMIOFLZEIL-UIOOFZCWSA-N	442.600	1.975	5	1	IDBF	
COC[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	238751423	ZIVBARLRQMBESA-DRXUAVOGSA-N	442.377	1.566	5	1	IDBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587261277	AKEYQRUVMPSDPK-YUELXQCFSA-N	436.490	1.244	5	1	IDBF	
CN(CC(=O)N[C@H]1CCCCNC1=O)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82089359	HUNVRNUTXOSBLE-ZDUSSCGKSA-N	431.474	1.575	5	1	IDBF	
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cc([N+](=O)[O-])cn2C)CC1	27097961	QTXXPKPVGQLMPS-UHFFFAOYSA-N	429.408	1.827	5	1	IDBF	
CCCn1c(=O)c2ccc(NCCN(C)C)c3c(=O)c4cc([N+](=O)[O-])ccc4n(c1=O)c23	27755871	JMBAJGLMTPTDGA-UHFFFAOYSA-N	437.456	1.857	5	1	IDBF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2N)C1	586956017	YPAVJJROEJEHOI-UHFFFAOYSA-N	432.418	1.946	5	1	IDBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587272953	BPMBWEWURRTMKI-CQSZACIVSA-N	427.465	1.221	5	1	IDBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(N)(=O)=O)c2[nH]1	587266016	IIFOZHJURWJDMU-RTHLEPHNSA-N	436.406	1.561	5	1	IDBF	
CC(=O)NS(=O)(=O)c1ccc(C2=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)O2)cc1	1857752899	BZLAZYNBSCZGPD-GOSISDBHSA-N	432.414	1.659	5	1	IDBF	
N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587219776	LOSXYMMOHTWAAS-GXFFZTMASA-N	436.428	1.483	5	1	IDBF	
O=C(O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1857645020	VSAABXMMRBKEQS-ZBFHGGJFSA-N	435.414	1.056	5	1	IDBF	
COc1ccc2nc3c(C)c4ccn([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1	377376564	DQTGYYLVRAOYIB-VLZGJKPMSA-N	438.480	1.941	5	1	IDBF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12	5822366	NGPQAQPGFXJSES-BZSNNMDCSA-N	430.420	1.580	5	1	IDBF	
Cc1cc(OCC2CC[N+](=C(N)N)CC2)cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	169716245	RRIQHRKOTOIUQS-UHFFFAOYSA-O	449.509	1.746	5	1	IDBF	
CN(Cc1cccc(F)c1)C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95601909	KDDFEJCDBJIISO-UHFFFAOYSA-N	437.449	1.868	5	1	IDBF	
Cc1onc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079691	MCNCJYVMKQBJAW-UHFFFAOYSA-N	437.825	1.980	5	1	IDBF	
COCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1	82148111	VFDRQHBEUNCFML-UHFFFAOYSA-N	442.476	1.487	5	1	IDBF	
C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCOCCN(C)C	82083952	SAOPIXZYSNODDY-CYBMUJFWSA-N	436.490	1.958	5	1	IDBF	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1	206493494	GWDAMEFRNVLXRW-UHFFFAOYSA-N	433.486	1.687	5	3	IDBF	
O=C(O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	169344450	RZJQSNMDLPXBRA-ZWQQCZGGSA-N	447.463	1.725	5	1	IDBF	
Cc1cc2c(cc1C)[n+]([O-])c(C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c(C)[n+]2[O-]	5597208	IERWXMDRVHSQGZ-UHFFFAOYSA-N	437.456	1.902	5	1	IDBF	
O=C(O)C[C@@H](NC(=O)CNC(=O)CCCNc1ccccn1)c1cccc([N+](=O)[O-])c1	13472623	LXRNNOYGXXYOIM-MRXNPFEDSA-N	429.433	1.630	5	1	IDBF	
CN1CCc2cnn(C)c2[C@@]1(CSC1=NNC2=NCCCN21)c1ccc([N+](=O)[O-])cc1	963954440	KIDYYUGEFYXKDV-HXUWFJFHSA-N	440.533	1.729	5	1	IDBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nnn(-c3ccc(OC(F)(F)F)cc3)n1)C2	45253684	BMWHXIOSTKATHX-NSHDSACASA-N	427.299	1.643	5	1	IDBF	
CC(=O)NS(=O)(=O)c1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3[N+](=O)[O-])O2)cc1	1857752842	MHPVZCRBXYMPDD-SFHVURJKSA-N	432.414	1.659	5	1	IDBF	
CN(CC(=O)N[C@H]1CCCCNC1=O)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085615	NHGWMEHTPQSWHQ-AWEZNQCLSA-N	431.474	1.575	5	1	IDBF	
COC(=O)C1(C(=O)OC)C/C=C\CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1	95600131	UFDCNXHWMZIRSI-WAYWQWQTSA-N	426.447	1.658	5	3	IDBF	
C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@H]1CCCCNC1=O	82083049	KRLPOCLAJDGHPA-YPMHNXCESA-N	431.474	1.622	5	1	IDBF	
C[N+](C)(CCCCNC(=O)c1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N	73198501	QPJTUMBZUQJSIO-UHFFFAOYSA-O	434.952	1.311	5	1	IDBF	
CCN(CC)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23	100833435	MNQUMYRXKXPJBE-UHFFFAOYSA-N	449.555	1.881	5	1	IDBF	
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)C(C)C	70725630	HISFISHMSUAVBY-NJSLBKSFSA-N	443.504	1.940	5	1	IDBF	
CC(=O)Oc1cc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc(OC(C)=O)c1OC(C)=O	29335709	QVPVOHFTLQBVHC-UHFFFAOYSA-N	449.372	1.733	5	1	IDBF	
O=C(O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	66065999	RZJQSNMDLPXBRA-PJIJJOFYSA-N	447.463	1.725	5	1	IDBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCO	4152177	YJQMQQQMMCSOFM-QUCCMNQESA-N	443.412	1.923	5	1	IDBF	
O=C1C(=O)N(CCn2cc(CN3C(=O)C(=O)c4cc([N+](=O)[O-])ccc43)nn2)c2ccccc21	84670348	SSGFOGUKNIUURS-UHFFFAOYSA-N	446.379	1.145	5	1	IDBF	
[3H]C([3H])([3H])[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@@]4(O)C[N+](C)(C([3H])([3H])[3H])CCO4)cc3)cc2)C1	169305836	JIWUESGGKYLPPG-RPXPSMLPSA-N	426.594	1.857	5	1	IDBF	
CC(=O)NS(=O)(=O)c1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3[N+](=O)[O-])O2)cc1	1857752841	MHPVZCRBXYMPDD-GOSISDBHSA-N	432.414	1.659	5	1	IDBF	
Cn1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCNCC4)cc32)c([N+](=O)[O-])c1	27099789	FAFGMPBZUQCBQQ-UHFFFAOYSA-N	429.408	1.874	5	1	IDBF	
COCCN1CCN(C(=O)c2sc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[n+]2[O-])CC1	653803714	RRFCZQRJFWMPEM-UHFFFAOYSA-N	434.396	1.866	5	1	IDBF	
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[P@](=O)(O)C[C@H](CCC(=O)O)C(=O)O	253640161	WKMSOAQATBFEBB-ZJUUUORDSA-N	438.351	1.055	5	1	IDBF	
Cc1cc(OCC2CC[N+](=C(N)N)CC2)cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	169716247	LNJLEMVIWQBFOP-UHFFFAOYSA-O	449.509	1.746	5	1	IDBF	
COCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1	82136015	WJKCTXAHNHSLIB-UHFFFAOYSA-N	428.449	1.097	5	1	IDBF	
COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)cn2C)cn1C	1663025	WMAKIRPXFQIRJN-UHFFFAOYSA-N	428.405	1.902	5	1	IDBF	
O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049175	XPKPEUFUSTWQSY-QUCCMNQESA-N	443.412	1.540	5	1	IDBF	
O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(C(F)(F)F)ccc2c1=O	299823062	RUBXWSBFBQNWOT-JTQLQIEISA-N	426.307	1.884	5	1	IDBF	
OC[C@H]1O[C@@H](c2n[nH]c(-c3ccc4ccc5cccc6ccc3c4c56)n2)[C@H](O)[C@@H](O)[C@@H]1O	1857745717	WMVBFMUGJWTBOX-RECXWPGBSA-N	431.448	1.884	5	1	IDBF	
C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCCCNC1=O	82082832	PYXUDKISGQNWKZ-BXUZGUMPSA-N	431.474	1.622	5	1	IDBF	
Cn1nnnc1-c1ccc(CC(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1	96938233	LHOUVQXXRFEYKL-UHFFFAOYSA-N	435.488	1.715	5	1	IDBF	
COc1cc(O[C@@H]2C[C@H](CO)[C@H](OC)[C@H](O)[C@@H]2O)cc2c1c(=O)oc1cc(O)cc(C)c12	2356720072	PDRMBHJHPAWGEC-OJOPWRDLSA-N	446.452	1.465	5	1	IDBF	
O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049177	XPKPEUFUSTWQSY-ICSRJNTNSA-N	443.412	1.540	5	1	IDBF	
C[N+](C)(CCCCNC(=O)Cc1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N	73275386	XZGIOQMEBPSUHA-UHFFFAOYSA-O	448.979	1.240	5	1	IDBF	
NC[C@H](N)C(=O)N[C@@H](Cc1c(Sc2ccccc2[N+](=O)[O-])[nH]c2ccccc12)C(N)=O	71333128	BDRIHBPMPUIISY-ZFWWWQNUSA-N	442.501	1.026	5	1	IDBF	
NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	299820621	GIXRHINNRGUEBQ-UHFFFAOYSA-N	449.489	1.503	5	1	IDBF	
N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587219773	LOSXYMMOHTWAAS-GWCFXTLKSA-N	436.428	1.483	5	1	IDBF	
CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@](C)([N+](=O)[O-])[C@@H]3O	169343006	QHHKZJGJILYADI-RTWAWAEBSA-N	434.445	1.875	5	1	IDBF	
CC(=O)Oc1cc(C(=O)OCc2ncc([N+](=O)[O-])n2C)cc(OC(C)=O)c1OC(C)=O	29339223	BJRSXYCKMOHYOC-UHFFFAOYSA-N	435.345	1.461	5	1	IDBF	
O=C1C(=O)N(CCN2CCN(NCc3ccc([N+](=O)[O-])o3)CC2)c2ccc(Cl)cc21	1772603012	LOOVAQMRPVGATN-UHFFFAOYSA-N	433.852	1.693	5	1	IDBF	
NCCCCNCCCNC[C@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1	1772578640	MNTCLEMXDVLMGH-INIZCTEOSA-N	429.517	1.700	5	1	IDBF	
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	36064689	XTTZGPCMYQSQLO-LPTDTENNSA-N	438.484	1.831	5	1	IDBF	
CN1C(=O)[C@@](O)(Cc2ccccc2O)N(C)C(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12	14765794	XNRUYCJWMXPFHD-JTSKRJEESA-N	438.440	1.555	5	1	IDBF	biogenic
CN1CCN(c2ccc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3c2)CC1	587272240	LQDMGRJFEKNJCJ-OALUTQOASA-N	440.460	1.256	5	1	IDBF	
Cn1c(=O)c2c3cc(F)ccc3c(=O)n(Cc3cn(Cc4ccccc4)nn3)c2n(C)c1=O	1857554825	CXDDXGLNAOSVOV-UHFFFAOYSA-N	446.442	1.379	5	1	IDBF	
COc1cnc2c(c1)C(=O)c1c-2n(CCCN(C)CCO)c(=O)c2cc([N+](=O)[O-])ccc12	103250724	TYVPDLWUVZLQPC-UHFFFAOYSA-N	438.440	1.839	5	1	IDBF	
COC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82084326	RLXSIAGPVXUHRE-CQSZACIVSA-N	438.487	1.817	5	1	IDBF	
COc1cc(O)c2c(=O)c3cc4c(c(OC)c3n(C)c2c1OC)O[C@@H](C(C)(C)O)[C@H]4O	15261891	JDUXUADRHUGSLD-LAUBAEHRSA-N	431.441	1.988	5	1	IDBF	biogenic
CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@](C)([N+](=O)[O-])[C@H]3O	169343008	QHHKZJGJILYADI-SFTDATJTSA-N	434.445	1.875	5	1	IDBF	
COC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82084325	RLXSIAGPVXUHRE-AWEZNQCLSA-N	438.487	1.817	5	1	IDBF	
COc1ccc2nc3c(C)c4ccn([C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1	377376563	DQTGYYLVRAOYIB-HDVNWPJCSA-N	438.480	1.941	5	1	IDBF	
O=c1ccn(CO[C@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]1	27737163	DYBFLTDKRZVCBB-NEGUGWEKSA-N	431.269	1.360	5	1	IDBF	
COc1cc(O)c2c(=O)c3cc4c(c(OC)c3n(C)c2c1OC)O[C@@H](C(C)(C)O)[C@@H]4O	15261889	JDUXUADRHUGSLD-DYESRHJHSA-N	431.441	1.988	5	1	IDBF	biogenic
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12	31870803	NGPQAQPGFXJSES-RCCFBDPRSA-N	430.420	1.580	5	1	IDBF	
COc1ccc(NC(=O)CN(C)c2c([N+](=O)[O-])cc(C(=O)NCCO)cc2[N+](=O)[O-])cc1	27103683	PTWZEQYMXHNTND-UHFFFAOYSA-N	447.404	1.309	5	1	IDBF	
COCCNc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc([N+](=O)[O-])c2)n1	82135786	YHMLEXPKCIVUHG-UHFFFAOYSA-N	428.449	1.414	5	1	IDBF	
COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@]34O	13099316	NMDDWSIRDRACCC-RRVOPWKUSA-N	425.505	1.574	5	1	IDBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587265029	RKKZFYIOPAGUES-AWEZNQCLSA-N	447.473	1.440	5	1	IDBF	
CSc1ccc(C(=O)O)c2nc3cccc(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)c3nc12	238769021	VGDKDGBMEZJAMP-TYZSUWMVSA-N	432.454	1.409	5	1	IDBF	
COc1cc2oc3cc(OC)c([C@@H]4O[C@H](CO)C[C@H](O)[C@@H]4O)cc3c(=O)c2cc1OC	2356510767	KVLLCSQUAUVAGT-TXIOAACDSA-N	432.425	1.516	5	1	IDBF	
C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)OC(=O)CCCCCCCC(=O)O	535384787	WVKDDHFUHISZRK-OAHLLOKOSA-O	428.439	1.546	5	1	IDBF	in-vitro
C[N+](C)(C)CCO[P@](=O)(O)OC[C@H](O)COC(=O)CCCCCCCC(=O)O	535384759	TWYBESPQJGNNCX-OAHLLOKOSA-O	428.439	1.546	5	1	IDBF	in-vitro
O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12	27553349	IKEXSIOCBADEBR-UHFFFAOYSA-N	433.218	1.746	5	1	IDBF	
CS(=O)(=O)c1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc([N+](=O)[O-])c1Cl	586928252	ZZSCMJRXIYYSAC-UHFFFAOYSA-N	430.851	1.842	5	1	IDBF	
COc1cc(Br)nc(NC(=O)NS(=O)(=O)Oc2ccccc2[N+](=O)[O-])n1	1857589146	WCDVNWNXJOAEHG-UHFFFAOYSA-N	448.211	1.601	5	1	IDBF	
O=C1COc2ccc([N+](=O)[O-])cc2N1C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	45339583	VBLQABKHRASLQR-IBGZPJMESA-N	431.355	1.778	5	1	IDBF	
Cc1cc([N+](=O)[O-])c2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2	169323961	ZIWFGAXXDQXISU-BVSLBCMMSA-N	430.505	1.407	5	1	IDBF	
Cn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1=O	13559494	VZMPXRPOYBIXJK-UHFFFAOYSA-N	443.397	1.293	5	1	IDBF	
Cc1c2cc[n+]([C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12	95555865	NKTMBMKUWRNUMI-BGJWJPPZSA-O	425.461	1.057	5	1	IDBF	
COc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)N1CCOCC1	586957221	SHXNZCDNBRQTDM-UHFFFAOYSA-N	433.446	1.486	5	1	IDBF	
O=C(NC[C@@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	2480260	JVBJTLKQINNENA-GFCCVEGCSA-N	445.359	1.868	5	1	IDBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587261274	AKEYQRUVMPSDPK-BPLDGKMQSA-N	436.490	1.244	5	1	IDBF	
CN(C)CCN(C)c1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23	5581958	PLNMWNSPPNPJPB-UHFFFAOYSA-N	435.528	1.125	5	1	IDBF	
O=[N+]([O-])c1cc(-c2nnn(CSc3nnnn3Cc3ccccc3)n2)cc([N+](=O)[O-])c1	1772574065	ZWEGYSFPLFIMBP-UHFFFAOYSA-N	440.405	1.941	5	1	IDBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587272946	BPMBWEWURRTMKI-AWEZNQCLSA-N	427.465	1.221	5	1	IDBF	
O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1[N+](=O)[O-]	586942445	VHEIHHQVEVVPKH-UHFFFAOYSA-N	435.374	1.629	5	1	IDBF	
O=C(c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1)N1CCN(CCO)CC1	587150130	ZPBQBVPZIACQMU-UHFFFAOYSA-N	443.435	1.939	5	1	IDBF	
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O	28563203	WKMSOAQATBFEBB-NXEZZACHSA-N	438.351	1.055	5	1	IDBF	
COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@]34O	13099318	NMDDWSIRDRACCC-CMQQWUCLSA-N	425.505	1.574	5	1	IDBF	
C[N+]1(C)CCO[C@@](O)(c2ccc(Cc3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	27862045	AENXFXNKSOGMDI-JWQCQUIFSA-N	428.573	1.781	5	1	IDBF	
CCOC(=O)C(=O)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(NC(=O)C(=O)OCC)c1Cl	169316047	JQAJRRUMCZSJAC-UHFFFAOYSA-N	432.729	1.160	5	1	IDBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	49036625	FFCGMLNKIITNDX-UHFFFAOYSA-N	432.437	1.763	5	1	IDBF	
O=C(O)C[C@H](c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C(=O)c2ccc(C(=O)O)cc2C1=O	1857629085	KXEIMPIQQBONRL-CYBMUJFWSA-N	442.336	1.876	5	1	IDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1	253634217	DQTGYYLVRAOYIB-FRPFDOCJSA-O	439.488	1.360	5	1	IDBF	
N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1	587217985	DRZLGCRYMDMDSD-STQMWFEESA-N	436.428	1.483	5	1	IDBF	
COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@]34O	299846295	NMDDWSIRDRACCC-WFMZVRPKSA-N	425.505	1.574	5	1	IDBF	
COCCCNc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149280	SKCFXKYWMXKQPJ-UHFFFAOYSA-N	442.476	1.805	5	1	IDBF	
NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	169307868	ZDTGLFZWPQNQRX-UHFFFAOYSA-N	425.404	1.277	5	1	IDBF	
COC(=O)c1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cn1	586941322	RZDDHGOOQGCYBR-UHFFFAOYSA-N	437.459	1.853	5	1	IDBF	
C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@@H]1CCCCNC1=O	82083046	KRLPOCLAJDGHPA-WCQYABFASA-N	431.474	1.622	5	1	IDBF	
Cc1nc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1Br	587274045	YDWARFCWHAIMDJ-STQMWFEESA-N	436.222	1.970	5	1	IDBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-n3cnnn3)cc2[nH]1	587266665	MNSKYHXJOZROIJ-FVMDXXJSSA-N	425.365	1.889	5	1	IDBF	
COc1ccc2nc3c(C)c4ccn([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1	377376561	DQTGYYLVRAOYIB-ANQOARCNSA-N	438.480	1.941	5	1	IDBF	
COC[C@@H]1O[C@H](OC)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2356860442	ZIVBARLRQMBESA-GHYKFQNRSA-N	442.377	1.566	5	1	IDBF	
CSc1ccc(S(=O)(=O)NCc2nc3c(O)nc(S)nc3[nH]2)cc1[N+](=O)[O-]	586941087	DXXAPLBGOOACBK-UHFFFAOYSA-N	428.477	1.456	5	1	IDBF	
COc1cc(CCNc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)cc(OC)c1	73220638	PXXITMDWKHAAQS-UHFFFAOYSA-N	425.419	1.612	5	1	IDBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3c(Br)cccc3[N+](=O)[O-])N2C(=O)[C@@H]2CCCN12	963218883	JVUOSXLCXICMEP-XEZPLFJOSA-N	446.261	1.928	5	1	IDBF	
C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cn(C)cc2[N+](=O)[O-])CCN1	27099799	AYQBFFNKMHKNDW-NSHDSACASA-N	429.408	1.873	5	1	IDBF	
CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1772616627	CKBSSLROVOVDML-AEFFLSMTSA-N	433.442	1.560	5	1	IDBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-n3cnnn3)cc2[nH]1	587266668	MNSKYHXJOZROIJ-JDNHERCYSA-N	425.365	1.889	5	1	IDBF	
CN1C(=O)[C@](O)(Cc2ccc(O)cc2)N(C)C(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12	14765798	KDCUAPBLIKCUCK-PGRDOPGGSA-N	438.440	1.555	5	1	IDBF	biogenic
[3H]C([3H])([3H])[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(C([3H])([3H])[3H])CCO4)cc3)cc2)C1	169305837	JIWUESGGKYLPPG-KDTMYYQDSA-N	426.594	1.857	5	1	IDBF	
O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)CC[N+](=O)[O-])CC3)c(F)cc2c1=O	72114683	XJPQKLJJDPCGAQ-UHFFFAOYSA-N	432.408	1.489	5	1	IDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1	587272285	MGUVJDBQNJEOAB-IRXDYDNUSA-N	426.364	1.829	5	1	IDBF	
C[C@@H](n1nnc2cc([N+](=O)[O-])ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	1911576259	GXMIZIDIQCXTFU-NSPYISDASA-N	443.370	1.718	5	1	IDBF	
CN1C(=O)[C@](O)(Cc2ccccc2O)N(C)C(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12	14765791	XNRUYCJWMXPFHD-HTAPYJJXSA-N	438.440	1.555	5	1	IDBF	biogenic
C[N+]1(C)CCO[C@](O)(c2ccc(Cc3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	27862063	AENXFXNKSOGMDI-DQEYMECFSA-N	428.573	1.781	5	1	IDBF	
CC(C)(C)OC(=O)N1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377830449	ZCKRDJGIINQMDA-UHFFFAOYSA-N	427.394	1.938	5	1	IDBF	
O=C(O)C[C@@H](c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C(=O)c2ccc(C(=O)O)cc2C1=O	1857629086	KXEIMPIQQBONRL-ZDUSSCGKSA-N	442.336	1.876	5	1	IDBF	
COCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1	82150130	UGCLLLRYHUTVBN-UHFFFAOYSA-N	428.449	1.097	5	1	IDBF	
C[C@H](NC(=O)CC(=O)Cc1ccccc1)C(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1	29404965	FUHZUQWJUIRRSP-AWEZNQCLSA-N	426.429	1.356	5	1	IDBF	
O=[N+]([O-])c1cc(-c2nnn(CSc3nnnn3-c3ccccc3)n2)cc([N+](=O)[O-])c1	1772583410	LLFMROALQLIRQR-UHFFFAOYSA-N	426.378	1.882	5	1	IDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587274325	ZUEKOPKZUPPTOA-KBPBESRZSA-N	432.305	1.321	5	1	IDBF	
C[C@@H](n1nnc2ccc([N+](=O)[O-])cc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	1911585355	FVYMPANPAFUWFY-NSPYISDASA-N	443.370	1.718	5	1	IDBF	
O=c1ccn(CO[C@@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]1	169372944	DYBFLTDKRZVCBB-FSQSNUJVSA-N	431.269	1.360	5	1	IDBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCO)cc1	4039781	SPHVEDLCCVYPLG-ICSRJNTNSA-N	442.428	1.590	5	1	IDBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587267412	YPUNVICWHYPUJE-ANRSDYALSA-N	436.406	1.561	5	1	IDBF	
O=C(O)c1cn2c(n1)CN(c1nc3c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn3C1CC1)CC2	28868370	UPPUJBAJKHRXOA-UHFFFAOYSA-N	440.372	1.253	5	1	IDBF	
COC(=O)c1cc(Cl)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1	587274317	ZHNHISKZESYEBA-GJZGRUSLSA-N	434.792	1.944	5	1	IDBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C[C@H](N)C(N)=O)c2c1	587621295	SFFUFSUUQMCOEK-AWEZNQCLSA-N	447.473	1.549	5	1	IDBF	
O=C(O)C[C@H](NC(=O)CNC(=O)CCCNc1ccccn1)c1cccc([N+](=O)[O-])c1	13472624	LXRNNOYGXXYOIM-INIZCTEOSA-N	429.433	1.630	5	1	IDBF	
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cn(C)cc2[N+](=O)[O-])CC1	27097636	BDSGNJWAPPQMPB-UHFFFAOYSA-N	429.408	1.827	5	1	IDBF	
COc1cc(/C=C/C(=O)OC[C@@H]2O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@H]2O)ccc1O	95921639	HWUYVLJKIQHEDV-LUIQYSJNSA-N	447.396	1.391	5	1	IDBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587267713	DVOBORXVHRHXAH-UHFFFAOYSA-N	441.492	1.589	5	1	IDBF	
CCNC(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	1772619304	KXFCLSPLVUDJDD-AEFFLSMTSA-N	435.502	1.619	5	1	IDBF	
O=C1COc2ccc([N+](=O)[O-])cc2N1C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	45339585	VBLQABKHRASLQR-LJQANCHMSA-N	431.355	1.778	5	1	IDBF	
C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@H]1CCCCNC1=O	82082835	PYXUDKISGQNWKZ-RISCZKNCSA-N	431.474	1.622	5	1	IDBF	
CCN(CC)[N+](=O)NOc1cc(ON[N+](=O)N(CC)CC)c([N+](=O)[O-])cc1[N+](=O)[O-]	377795111	ARFRCCCTDHKKOT-UHFFFAOYSA-N	432.394	1.171	5	1	IDBF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12	5822367	NGPQAQPGFXJSES-OKZBNKHCSA-N	430.420	1.580	5	1	IDBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(N)(=O)=O)c2[nH]1	587266014	IIFOZHJURWJDMU-RMLUDKJBSA-N	436.406	1.561	5	1	IDBF	
CSc1ccc(C(=O)O)c2nc3cccc(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@@H]4O)c3nc12	2356469629	VGDKDGBMEZJAMP-SWUIHUTQSA-N	432.454	1.409	5	1	IDBF	
Cc1cccn2c(=O)c3cc(C(=O)NCCCN4CCOCC4)c(=N)n(C(C)C)c3nc12	1857541349	AXOFSYNTOMOYDB-UHFFFAOYSA-N	438.532	1.470	5	1	IDBF	
O=C(c1ccco1)N1CCN([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)S(=O)(=O)C2)CC1	61923712	USJAADVCYSJIQO-QGZVFWFLSA-N	434.474	1.160	5	3	IDBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587267513	LRIMGMNIIZECKS-AWEZNQCLSA-N	427.465	1.335	5	1	IDBF	
Cc1onc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079660	LTYKLZKEVJAEGC-UHFFFAOYSA-N	437.825	1.980	5	1	IDBF	
COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2n1	586941121	NWGBFCUBOLJDJT-UHFFFAOYSA-N	437.459	1.853	5	1	IDBF	
COC(=O)[C@@H](c1ccc2c(O)nc(O)nc2n1)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1	587554165	JMMVPKLDFZCBOT-BLLLJJGKSA-N	444.400	1.770	5	1	IDBF	
CCS(=O)(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587271327	BTWRBBKVTCMZNY-HOTGVXAUSA-N	434.430	1.298	5	1	IDBF	
CCNC(=O)[C@@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	1772615996	KXFCLSPLVUDJDD-WMZOPIPTSA-N	435.502	1.619	5	1	IDBF	
O=c1ccn(CO[C@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(=O)[nH]1	27737142	DYBFLTDKRZVCBB-FHLSCMPYSA-N	431.269	1.360	5	1	IDBF	
CC(=O)N1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82134744	SSSNIFPHOYUUGK-UHFFFAOYSA-N	440.460	1.193	5	1	IDBF	
O=[N+]([O-])c1cnc(N2CCN(Cn3nc(-c4ccncc4)oc3=S)CC2)n1CCO	103188987	GKLAELBDMXKEJS-UHFFFAOYSA-N	432.466	1.144	5	1	IDBF	
COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@]34O	263603428	NMDDWSIRDRACCC-XKISJUQISA-N	425.505	1.574	5	1	IDBF	
CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)CC1	586956527	CEPNNQLTZOXJJW-UHFFFAOYSA-N	430.446	1.386	5	1	IDBF	
Cc1nn(-c2ccc(S(N)(=O)=O)c(CO)c2)c2c1c(=O)[nH]c1ccc([N+](=O)[O-])cc12	13588971	SJZXTXROAMVATE-UHFFFAOYSA-N	429.414	1.223	5	1	IDBF	
O=C(O)CCNc1nc(Cc2nnc(S)n2NC(=O)c2cccc([N+](=O)[O-])c2)cs1	28815446	JQLWLYDYLFJXJO-UHFFFAOYSA-N	449.474	1.793	5	1	IDBF	
CCCn1c(=N)c(C(=O)NCCCN2CCOCC2)cc2c(=O)n3cccc(C)c3nc21	1857556838	HLRVRXWGTPBLHD-UHFFFAOYSA-N	438.532	1.299	5	1	IDBF	
CS(=O)(=O)Nc1ccc(C(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1	26717260	BORGXOGTGNMBMU-UHFFFAOYSA-N	432.502	1.967	5	1	IDBF	
CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@@](C)([N+](=O)[O-])[C@@H]3O	169343005	QHHKZJGJILYADI-NHCUHLMSSA-N	434.445	1.875	5	1	IDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1	28757549	DQTGYYLVRAOYIB-IZFXNUPESA-O	439.488	1.360	5	1	IDBF	
O=c1n(-c2ccc([N+](=O)[O-])cc2)cnn1C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	72176329	ZCYCXFPWFXTFLT-LJQANCHMSA-N	443.370	1.400	5	1	IDBF	
COc1ccc(CCNc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)cc1OC	28818155	MVDGTXRZTZNCEM-UHFFFAOYSA-N	425.419	1.612	5	1	IDBF	
CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2(Cc3ccn4c3[C@@H](O)CC4)CC[C@H](O)[C@@H]12)C(C)C	238768258	SRKOVSFFLQJSGJ-RLQTXXMZSA-N	449.568	1.280	5	1	IDBF	
CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-]	95601454	RFJVRIQPCXJGMB-UHFFFAOYSA-N	431.470	1.703	5	1	IDBF	
CS(=O)(=O)Nc1ccc(CCN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	26717265	RVAHUUFAVZNTAL-UHFFFAOYSA-N	432.502	1.967	5	1	IDBF	
Cc1cn(CO[C@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]c1=O	27737190	VFMWJZPDATTZBK-FZTYZDATSA-N	445.296	1.668	5	1	IDBF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12	31870804	NGPQAQPGFXJSES-KSZLIROESA-N	430.420	1.580	5	1	IDBF	
Cc1cc(OCC2CC[N+](=C(N)N)CC2)cc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	169716246	YDKSGNYYUHGUMT-UHFFFAOYSA-O	449.509	1.746	5	1	IDBF	
COc1cc(O[C@@H]2C[C@H](CO)[C@H](OC)[C@H](O)[C@H]2O)cc2c1c(=O)oc1cc(O)cc(C)c12	2356720071	PDRMBHJHPAWGEC-KWDVYALPSA-N	446.452	1.465	5	1	IDBF	
O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1cccs1	1818663	GIVJSURLNAIPHJ-MSOLQXFVSA-N	443.481	1.940	5	1	IDBF	
O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	2483160	TUQALBFJZNNMRP-JTQLQIEISA-N	445.359	1.868	5	1	IDBF	
COC(=O)[C@@H](CSc1ccc(C(=O)O)c2nc3cccc(C(=O)O)c3nc12)NC(C)=O	200021454	OWSMXQWVQMHWDF-CYBMUJFWSA-N	443.437	1.949	5	1	IDBF	
CSc1ccc(S(=O)(=O)NCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1[N+](=O)[O-]	586940888	JFWMFVQKIWNVAH-UHFFFAOYSA-N	429.871	1.479	5	1	IDBF	
C[N+](C)(CCNC(=O)c1ccc(Cl)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N	73279588	PSKKTFJYBOCOPG-UHFFFAOYSA-O	441.343	1.184	5	1	IDBF	
O=c1ccn(CO[C@@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]1	169372943	DYBFLTDKRZVCBB-XHSPWNSHSA-N	431.269	1.360	5	1	IDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1	253634219	DQTGYYLVRAOYIB-HDVNWPJCSA-O	439.488	1.360	5	1	IDBF	
CCN1C(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)=NS(=O)(=O)c2ccccc21	64436526	DFFAYMBEILVYEF-UHFFFAOYSA-N	433.446	1.530	5	1	IDBF	
O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049176	XPKPEUFUSTWQSY-AZUAARDMSA-N	443.412	1.540	5	1	IDBF	
C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC	238742600	BDGDVRSRRTXNLI-ZULTZMHASA-N	427.521	1.960	5	1	IDBF	
CC(=O)NCC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12	72937956	VOWQOZHXRVMDBT-KAWXRDEMSA-N	449.441	1.079	5	1	IDBF	
O=C(NCCNS(=O)(=O)c1cccc2cnccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1857559456	NEPVYXFVZXHYKH-UHFFFAOYSA-N	445.413	1.760	5	1	IDBF	
CC(=O)N1CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135642	GQRXPJWQVPRPKI-UHFFFAOYSA-N	440.460	1.193	5	1	IDBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3c(Br)cccc3[N+](=O)[O-])N2C(=O)[C@@H]2CCCN12	963218860	JVUOSXLCXICMEP-HEHGZKQESA-N	446.261	1.928	5	1	IDBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-n3cnnn3)cc2[nH]1	587266669	MNSKYHXJOZROIJ-XXFAHNHDSA-N	425.365	1.889	5	1	IDBF	
COc1ccc(NC(=O)[C@@H](C)Nc2c([N+](=O)[O-])cc(C(=O)NCCO)cc2[N+](=O)[O-])cc1	27104854	GKHBUJIPKNYFBY-LLVKDONJSA-N	447.404	1.673	5	1	IDBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCO	4152176	YJQMQQQMMCSOFM-UYAOXDASSA-N	443.412	1.923	5	1	IDBF	
COCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82134568	WBZVTUVQSRNAKH-OAHLLOKOSA-N	442.476	1.520	5	1	IDBF	
Cc1c(Br)cnc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12	587272737	PSRQRUKFDMFACH-STQMWFEESA-N	436.222	1.970	5	1	IDBF	
COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@@]34O	263603426	NMDDWSIRDRACCC-DRIYGWICSA-N	425.505	1.574	5	1	IDBF	
COc1ccc(NC(=O)[C@H](C)Nc2c([N+](=O)[O-])cc(C(=O)NCCO)cc2[N+](=O)[O-])cc1	27104857	GKHBUJIPKNYFBY-NSHDSACASA-N	447.404	1.673	5	1	IDBF	
NCCCCNCCCNC[C@@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1	1772578641	MNTCLEMXDVLMGH-MRXNPFEDSA-N	429.517	1.700	5	1	IDBF	
C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cn(C)cc2[N+](=O)[O-])CCN1	27099795	AYQBFFNKMHKNDW-LLVKDONJSA-N	429.408	1.873	5	1	IDBF	
CN(C)C(=O)Oc1c(-c2ccccc2)c(=O)n2c3ccccc3n3c(=O)n(C)c(=O)c1c23	1622359	JEXAGUKOOHPIFI-UHFFFAOYSA-N	430.420	1.930	5	1	IDBF	
O=c1ccn([C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3CO2)c(=O)[nH]1	29128506	CMIXMRDCBQIEMG-GOSISDBHSA-N	444.425	1.369	5	1	IDBF	
CCOC(=O)N1CCCN([N+](=O)NOc2cc(OC)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377840780	GBDUKKNNSLTVJZ-UHFFFAOYSA-N	429.366	1.168	5	1	IDBF	
CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	13150500	OFRDFNWDIPDQED-SFHVURJKSA-N	429.452	1.961	5	3	IDBF	
COC(=O)[C@H](c1ccc2c(O)nc(O)nc2n1)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1	587554168	JMMVPKLDFZCBOT-WBMJQRKESA-N	444.400	1.770	5	1	IDBF	
Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc([N+](=O)[O-])ccc4O3)O2)c(=O)[nH]c1=O	32016777	SRMWBQBYWCFQTM-QOVGUPBBSA-N	437.301	1.941	5	1	IDBF	
COc1cc(O[C@@H]2C[C@H](CO)[C@H](OC)[C@@H](O)[C@H]2O)cc2c1c(=O)oc1cc(O)cc(C)c12	2356720073	PDRMBHJHPAWGEC-XRBFWXMVSA-N	446.452	1.465	5	1	IDBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587268171	MSNOVZCYAVLFAQ-UHFFFAOYSA-N	434.478	1.860	5	1	IDBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(N)(=O)=O)c2[nH]1	587266012	IIFOZHJURWJDMU-CLAHSXSESA-N	436.406	1.561	5	1	IDBF	
O=c1ccn([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3CO2)c(=O)[nH]1	29128505	CMIXMRDCBQIEMG-SFHVURJKSA-N	444.425	1.369	5	1	IDBF	
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20103346	XTTZGPCMYQSQLO-GQSCTRQFSA-N	438.484	1.831	5	1	IDBF	
COc1cc2oc3cc(OC)c([C@H]4O[C@@H](CO)C[C@@H](O)[C@@H]4O)cc3c(=O)c2cc1OC	238752920	KVLLCSQUAUVAGT-HSPIHMKJSA-N	432.425	1.516	5	1	IDBF	
CN1C(=O)[C@@](O)(Cc2cccc(O)c2)N(C)C(=O)[C@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12	14765750	QRDNJYNIEGRRKV-GCJKJVERSA-N	438.440	1.555	5	1	IDBF	biogenic
C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCOCCN(C)C	82083643	JCSVNQUEHVYCBI-ZDUSSCGKSA-N	436.490	1.958	5	1	IDBF	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12	27553575	JKOZBARPXVOBPO-UHFFFAOYSA-N	433.218	1.746	5	1	IDBF	
O=c1ccn(CO[C@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]1	27737149	DYBFLTDKRZVCBB-OPDLUZMDSA-N	431.269	1.360	5	1	IDBF	
O=C(O)c1ccc(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1857645019	VSAABXMMRBKEQS-HOCLYGCPSA-N	435.414	1.056	5	1	IDBF	
CN1CCc2cnn(C)c2[C@]1(CSC1=NNC2=NCCCN21)c1ccc([N+](=O)[O-])cc1	963954439	KIDYYUGEFYXKDV-FQEVSTJZSA-N	440.533	1.729	5	1	IDBF	
Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1	29125946	ARJKTLVBNOCOHR-OAHLLOKOSA-N	431.880	1.951	5	1	IDBF	
COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2nc1NC[C@@H]1CCCO1	19234385	HTZSQZKOKLLZAK-HNNXBMFYSA-N	425.489	1.908	5	3	IDBF	
O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCCCC4)c3)cc21	1485751	COZQTFPEKGKCBV-UHFFFAOYSA-N	427.417	1.459	5	1	IDBF	
COC(=O)c1csc(NC(=O)CCN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)n1	1857577428	PEVICWSIKYCVLW-UHFFFAOYSA-N	433.490	1.984	5	1	IDBF	
CN(C)CCOCCOC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085767	ABSKWOHFTFCAJT-UHFFFAOYSA-N	436.490	1.912	5	1	IDBF	
Cc1cn(CO[C@@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]c1=O	27737182	VFMWJZPDATTZBK-PWRODJMOSA-N	445.296	1.668	5	1	IDBF	
N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1	587217984	DRZLGCRYMDMDSD-QWHCGFSZSA-N	436.428	1.483	5	1	IDBF	
O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049174	XPKPEUFUSTWQSY-UYAOXDASSA-N	443.412	1.540	5	1	IDBF	
Nc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2nc(-c3ccco3)nn12	73198884	UBZZYIUJLAFYGC-UHFFFAOYSA-N	435.404	1.232	5	1	IDBF	
COc1cc(C(=O)NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)cc(OC)c1OC	27553011	NUAVKAPDVFGXTQ-UHFFFAOYSA-N	430.373	1.080	5	1	IDBF	
O=c1[nH]c2c(nc3cc(S(=O)(=O)NCCCN4CCOCC4)ccn32)c2ccccc12	45339658	HJPDEFDJLREYSZ-UHFFFAOYSA-N	441.513	1.330	5	1	IDBF	
O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)c1cccs1	110760242	GIVJSURLNAIPHJ-ROUUACIJSA-N	443.481	1.940	5	1	IDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(CN3CCOCC3)cc2[nH]1	587273362	RRVYHFKUVRDJDG-OALUTQOASA-N	441.444	1.336	5	1	IDBF	
CC(C)S(=O)(=O)n1c(N)nc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	28963420	CVZHHHMZMUOKBK-UHFFFAOYSA-N	439.475	1.914	5	1	IDBF	
Cc1c2cc[n+]([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12	299818143	NKTMBMKUWRNUMI-SUHOFRIBSA-O	425.461	1.057	5	1	IDBF	
COCCNc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149799	JSPAGARPDQDIFI-UHFFFAOYSA-N	428.449	1.414	5	1	IDBF	
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1	586940151	LDAXPMCPGWDQJB-HNNXBMFYSA-N	444.473	1.817	5	1	IDBF	
OC[C@H]1O[C@@H](n2cc(CNc3c4ccccc4nc4c3oc3ccccc34)nn2)[C@@H](O)[C@H]1O	1772656796	XRTSBPYMJLFGRU-SPAWWWTRSA-N	447.451	1.949	5	1	IDBF	
COC(=O)c1cc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1OC	587273444	UGTDJGPRORKUDU-HOTGVXAUSA-N	430.373	1.299	5	1	IDBF	
COC(=O)[C@@H](c1ccc2c(O)nc(O)nc2n1)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1	587554167	JMMVPKLDFZCBOT-MLGOLLRUSA-N	444.400	1.770	5	1	IDBF	
CCOP(=O)(OCC)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377830152	GSGOEKOSJPOXAT-UHFFFAOYSA-N	449.337	1.794	5	1	IDBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCO)cc1	4039778	SPHVEDLCCVYPLG-QUCCMNQESA-N	442.428	1.590	5	1	IDBF	
O=c1[nH]/c(=C/c2ccc(OCc3ccccc3)cn2)c(=O)[nH]/c1=C/c1ccc([N+](=O)[O-])cc1	5596844	RSACHGINDYIKER-ADYPVIEZSA-N	442.431	1.603	5	1	IDBF	
COC(=O)C1=CN(C)C(=O)[C@@H]2C(CN3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)=CC[C@H]12	1857565573	JLNZXNCIFUOMBP-TZIWHRDSSA-N	440.500	1.804	5	1	IDBF	
COc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1S(=O)(=O)N1CCOCC1	586956934	KTMGLBNYELNVNY-UHFFFAOYSA-N	433.446	1.486	5	1	IDBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587267413	YPUNVICWHYPUJE-AYVTZFPOSA-N	436.406	1.561	5	1	IDBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-n3cnnn3)cc2[nH]1	587266664	MNSKYHXJOZROIJ-ABKXIKBNSA-N	425.365	1.889	5	1	IDBF	
NC(=O)CN1CCC(n2c(=O)cnc3cnc4ccc(-c5ccc(N)nc5)cc4c32)CC1	1772598333	FYHJSXVIDYMDGB-UHFFFAOYSA-N	429.484	1.711	5	1	IDBF	
CC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1772616629	CKBSSLROVOVDML-SJLPKXTDSA-N	433.442	1.560	5	1	IDBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587267414	YPUNVICWHYPUJE-GLEZIHRCSA-N	436.406	1.561	5	1	IDBF	
CS(=O)(=O)c1ccc(C(=O)NCC(=O)NC2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-]	64497244	LVXSUFRCWLBLRU-UHFFFAOYSA-N	435.502	1.669	5	1	IDBF	
CN(C)S(=O)(=O)c1cccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12	587271122	BIBODHSZKBJYEE-AWEZNQCLSA-N	446.489	1.620	5	1	IDBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CN)c(CC(=O)O)c2c1	587621484	UWPFGMKNRAOSEH-UHFFFAOYSA-N	434.430	1.971	5	1	IDBF	
O=C(OCc1ccccc1)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377810370	WVTLXCCQRJWBCT-UHFFFAOYSA-N	447.384	1.950	5	1	IDBF	
O=[N+]([O-])c1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1[N+](=O)[O-]	587182250	NMIKQCTXOXLUAO-UHFFFAOYSA-N	444.101	1.852	5	1	IDBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2c(F)cc(F)cc2c1=O	299819813	FWNIPSCBFFQJOQ-GFCCVEGCSA-N	436.371	1.931	5	1	IDBF	
COC(=O)C1(C(=O)OC)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1	1857742208	UFDCNXHWMZIRSI-UHFFFAOYSA-N	426.447	1.658	5	1	IDBF	
CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@@](C)([N+](=O)[O-])[C@H]3O	169343007	QHHKZJGJILYADI-LEWJYISDSA-N	434.445	1.875	5	1	IDBF	
O=c1oc2c3c(cc(OCCN4CCOCC4)c2c2c1CCCC2)O[C@H]([N+](=O)[O-])[C@H]3O	169343003	KNOKOAQTMZYURN-ICSRJNTNSA-N	432.429	1.411	5	1	IDBF	
O=c1ccn([C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])c3ccccc3CO2)c(=O)[nH]1	29128507	MXIGXRQNEVEGND-SFHVURJKSA-N	444.425	1.369	5	1	IDBF	
COc1cc(O)c2c(=O)c3cc4c(c(OC)c3n(C)c2c1OC)O[C@H](C(C)(C)O)[C@H]4O	15261887	JDUXUADRHUGSLD-UWJYYQICSA-N	431.441	1.988	5	1	IDBF	biogenic
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2[C@H](O)C[N+](=O)[O-]	27315738	XZRNYOJHSMDZJD-VGSWGCGISA-N	437.408	1.390	5	1	IDBF	
COCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148254	XSMFNIOXQLJDHR-HNNXBMFYSA-N	442.476	1.520	5	1	IDBF	
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H]1F	1857643653	OFWYESOPPJADMF-DDFXLWFNSA-N	438.803	1.783	5	1	IDBF	
Cn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1=O	13559499	WRKCXHQWGGFYMC-UHFFFAOYSA-N	443.397	1.293	5	1	IDBF	
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C	82152190	QAEZJDXRJBVTSY-XKGZKEIXSA-N	447.580	1.857	5	1	IDBF	
O=c1cc[nH]c(=O)n1[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2CO1	29128377	KVWJNTPNOJAFQB-SFHVURJKSA-N	444.425	1.369	5	1	IDBF	
CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2c(F)cc(F)cc2c1=O	299819818	FWNIPSCBFFQJOQ-LBPRGKRZSA-N	436.371	1.931	5	1	IDBF	
O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1[N+](=O)[O-]	586943179	XNDNWGOJLXPCQO-UHFFFAOYSA-N	426.798	1.949	5	1	IDBF	
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])c4c(cc3nc2-1)OCO4	586526	DMUCLZLYDBNSRL-OAQYLSRUSA-N	437.364	1.717	5	1	IDBF	
COC(=O)C1(C(=O)OC)C/C=C\CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	95599881	KOUZJCGNGGADQH-UTCJRWHESA-N	426.447	1.658	5	3	IDBF	
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1	586940489	UKPXDPVPSUNMOD-INIZCTEOSA-N	444.473	1.817	5	1	IDBF	
CC(=O)OC[C@H]1O[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O	35902321	KWOVBFDCLPULRU-ICUGJSFKSA-N	443.430	1.199	5	1	IDBF	
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCC(N)=O)[nH]c3ccc([N+](=O)[O-])cc23)c1	40394728	SDGRGFPPQKHYGI-UHFFFAOYSA-N	430.442	1.741	5	1	IDBF	
COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2cccc([N+](=O)[O-])c2)c1=O	13573666	PNFUFOYQBVLIJW-UHFFFAOYSA-N	433.380	1.686	5	3	IDBF	
CN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95602578	GIMGMABGNMEWQR-UHFFFAOYSA-N	437.449	1.916	5	1	IDBF	
C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCCCNC1=O	82082830	PYXUDKISGQNWKZ-SMDDNHRTSA-N	431.474	1.622	5	1	IDBF	
Cc1c2cc[n+]([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12	95564649	NKTMBMKUWRNUMI-PHNZBSFLSA-O	425.461	1.057	5	1	IDBF	
C[N+]1(C)CCO[C@@](O)(c2ccc(Cc3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	27862052	AENXFXNKSOGMDI-PLQXJYEYSA-N	428.573	1.781	5	1	IDBF	
COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@]34O	195505523	NMDDWSIRDRACCC-URIXXWTFSA-N	425.505	1.574	5	1	IDBF	
N=C(N)c1ccc(Nc2ncnc(Nc3ccc(S(N)(=O)=O)cc3)c2[N+](=O)[O-])cc1	473149171	ILNAEOHABRHIQB-UHFFFAOYSA-N	428.434	1.803	5	1	IDBF	
COC[C@@H]1O[C@H](OC)[C@@H]2OC(C)(C)O[C@H]2[C@@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2356860444	ZIVBARLRQMBESA-SVZOTFJBSA-N	442.377	1.566	5	1	IDBF	
O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587227002	HCFUOMYYUACHTP-UHFFFAOYSA-N	428.361	1.922	5	1	IDBF	
O=c1cc[nH]c(=O)n1[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2CO1	29128375	BGUATXCWHKONGP-GOSISDBHSA-N	444.425	1.369	5	1	IDBF	
CN1C(=O)[C@@](O)(Cc2cccc(O)c2)N(C)C(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12	14765748	QRDNJYNIEGRRKV-AVRDEDQJSA-N	438.440	1.555	5	1	IDBF	biogenic
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587261275	AKEYQRUVMPSDPK-SNPRPXQTSA-N	436.490	1.244	5	1	IDBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587267514	LRIMGMNIIZECKS-CQSZACIVSA-N	427.465	1.335	5	1	IDBF	
NC(=O)C1CCN(C2CCN(C(=O)c3ccc4nc5ccccc5c(=O)n4c3)CC2)CC1	2965641	KXWHBRCAUMHJBR-UHFFFAOYSA-N	433.512	1.650	5	1	IDBF	
O=C(O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	66065998	RZJQSNMDLPXBRA-DFNWWWCKSA-N	447.463	1.725	5	1	IDBF	
CCn1c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n([C@@H](Cc2ccccc2)C(=O)O)c1=O	64596910	CCLINJGMVNJMNW-KRWDZBQOSA-N	440.412	1.017	5	1	IDBF	
O=c1n(-c2ccc([N+](=O)[O-])cc2)cnn1C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	72176328	ZCYCXFPWFXTFLT-IBGZPJMESA-N	443.370	1.400	5	1	IDBF	
O=C(NC[C@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	2480259	JVBJTLKQINNENA-LBPRGKRZSA-N	445.359	1.868	5	1	IDBF	
COC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084417	WFNXOGKCVPUTIU-ZDUSSCGKSA-N	438.487	1.817	5	1	IDBF	
CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2(Cc3ccn4c3[C@@H](O)CC4)CC[C@H](O)[C@@H]12)C(C)C	238763131	SRKOVSFFLQJSGJ-BMSYMNAUSA-N	449.568	1.280	5	1	IDBF	
CN(Cc1ccccc1F)C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95604749	VXJUKILRADOCFB-UHFFFAOYSA-N	437.449	1.868	5	1	IDBF	
Cc1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1O	49053160	VRYIXVCGSCBMRB-NHYWBVRUSA-N	448.863	1.593	5	1	IDBF	
O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1cccs1	110760246	GIVJSURLNAIPHJ-QZTJIDSGSA-N	443.481	1.940	5	1	IDBF	
CS(=O)(=O)c1ccc(C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	95601424	SIAUYACHYFBZDT-UHFFFAOYSA-N	435.502	1.813	5	1	IDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(F)cnc(Br)c2[nH]1	587271334	BVIUPJLOWFVGIL-RYUDHWBXSA-N	440.185	1.801	5	1	IDBF	
O=c1ccn([C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])c3ccccc3CO2)c(=O)[nH]1	29128508	MXIGXRQNEVEGND-GOSISDBHSA-N	444.425	1.369	5	1	IDBF	
NCCCn1cc(-c2ccc3ccc4ccc(-c5cn(CCCN)nn5)nc4c3n2)nn1	103257642	LUGPASKTAZABLD-UHFFFAOYSA-N	428.504	1.998	5	1	IDBF	
C[N+](C)(CCCN)CCC[N+](C)(C)CCCCNC(=O)[C@@H](O)Cc1c[nH]c2ccccc12	14768830	SEGUURAGVWABQF-DEOSSOPVSA-O	447.668	1.859	5	1	IDBF	
CC(=O)NS(=O)(=O)c1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1	1857638288	PXPWJULYAIBUJE-GOSISDBHSA-N	432.414	1.659	5	1	IDBF	
COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@]34O	195505519	NMDDWSIRDRACCC-ILDYBLCASA-N	425.505	1.574	5	1	IDBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587270845	RWCTZMZCOJOTRE-INIZCTEOSA-N	431.474	1.735	5	1	IDBF	
COc1cc2c(cc1OC)[C@]13CC[N+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@]34O	13786317	NMDDWSIRDRACCC-VXIWXQLHSA-N	425.505	1.574	5	1	IDBF	
COc1cc2oc3cc(OC)c([C@@H]4O[C@H](CO)C[C@H](O)[C@H]4O)cc3c(=O)c2cc1OC	2356510764	KVLLCSQUAUVAGT-DVSDMUAISA-N	432.425	1.516	5	1	IDBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCO)cc1	4039775	SPHVEDLCCVYPLG-UYAOXDASSA-N	442.428	1.590	5	1	IDBF	
COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@@]34O	263603427	NMDDWSIRDRACCC-QBUJFSTRSA-N	425.505	1.574	5	1	IDBF	
Cn1nnc(-c2ccc(CC(=O)N3CCN(CCc4ccc([N+](=O)[O-])cc4)CC3)cc2)n1	96938238	XBBSCMQUFYSXQP-UHFFFAOYSA-N	435.488	1.715	5	1	IDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1	253634222	DQTGYYLVRAOYIB-VLZGJKPMSA-O	439.488	1.360	5	1	IDBF