smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)O[C@H](CO)CO[P@](=O)(O)OCC[N+](C)(C)C	13551227	ZHRISDYJXKPXAW-SNVBAGLBSA-O	300.268	-0.250	5	1	DBBF	in-vitro
C[N+](C)(C)C[C@@H](Cn1ccc(N)nc1=O)OCP(=O)(O)O	26980938	AGTYBYJNORXZIU-SECBINFHSA-O	321.294	-0.948	5	1	DBBF	
NCCCCN(CCCN)C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	29321221	HEDZCERGSFDJTM-GFCCVEGCSA-N	314.390	-0.458	5	1	DBBF	
C[C@@H]1O[C@@H](c2nc3c([N+](=O)[O-])cccn3n2)[C@H](O)[C@H](O)[C@H]1O	95555864	JFGAEKQROWIVQV-LSFGRMBMSA-N	310.266	-0.820	5	1	DBBF	
O=C1N=C[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1	4006979	QGKJFGGOQJLFAT-MRVPVSSYSA-N	302.202	-0.120	5	1	DBBF	
C[C@@H]1O[C@H](c2nc3c([N+](=O)[O-])cccn3n2)[C@@H](O)[C@H](O)C1=O	253634599	GRTZMGZEJMMQDV-OIBQRHFYSA-N	308.250	-0.612	5	1	DBBF	
O=C(O)CN1C(=O)[C@H](O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	27750386	BTQCGWIDTQPKOL-JTQLQIEISA-N	309.234	-0.238	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CC[C@@H](O)[C@H]12)[C@H](C)O	254142522	DVLCGDSBRKTUPZ-FVXHWKGMSA-N	317.382	-0.235	5	1	DBBF	
Cc1ccc(N[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-]	13155070	QYGZBLQSDVTLBE-NWBUJAPZSA-N	314.294	-0.885	5	1	DBBF	
O=[N+]([O-])C(F)(CCNCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	73333653	LYCRWTLFFAUEDK-UHFFFAOYSA-N	303.134	-0.681	5	1	DBBF	
C[C@@H]1O[C@H](c2nc3c([N+](=O)[O-])cccn3n2)[C@H](O)[C@H](O)C1=O	253634598	GRTZMGZEJMMQDV-MPSSQSJQSA-N	308.250	-0.612	5	1	DBBF	
Cc1onc(-c2nc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH]2)c1[N+](=O)[O-]	72105272	FXMPBZHRIKLOME-BDODKLCJSA-N	314.254	-0.971	5	1	DBBF	
Cc1ccc(N[C@H]2O[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-]	13155068	QYGZBLQSDVTLBE-VLJOUNFMSA-N	314.294	-0.885	5	1	DBBF	
O=C1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)N1	1857551768	CMIYQSITXFRVRF-MRVPVSSYSA-N	308.206	-0.352	5	1	DBBF	
O=C1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)N1	1857551769	CMIYQSITXFRVRF-QMMMGPOBSA-N	308.206	-0.352	5	1	DBBF	
C[N+](C)(C)CCO[P@@](=O)(O)OC[C@H](COC=O)OC=O	38819966	RBAWEGYJSDPEHX-JTQLQIEISA-O	314.251	-0.459	5	1	DBBF	in-man
N[C@@H](C(=O)NCCCC(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	40975978	XGQOGJPWJTXDHG-NEPJUHHUSA-N	311.294	-0.064	5	1	DBBF	
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2(O)CC[C@H](O)[C@@H]12)[C@H](C)O	85507942	ITHGOUDGAOKTJV-FZDFRVPBSA-N	316.374	-0.423	5	1	DBBF	biogenic,in-vitro
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	17174575	DVLCGDSBRKTUPZ-SEVGWBIRSA-N	317.382	-0.235	5	1	DBBF	
CN(NS(C)(=O)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	26734267	NYYVBVUAXAEEFK-UHFFFAOYSA-N	309.325	-0.321	5	1	DBBF	
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)[C@@H](C)O	1587158	DNAWGBOKUFFVMB-ONKJOZRQSA-N	315.366	-0.315	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	84462240	DVLCGDSBRKTUPZ-JKQDNEAJSA-N	317.382	-0.235	5	1	DBBF	
O=c1[nH]c2cc(CN3CC[C@H](O)C3)c([N+](=O)[O-])cc2[nH]c1=O	27760251	JSLNXPSRBFPXKW-QMMMGPOBSA-N	306.278	-0.309	5	1	DBBF	
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc[nH]n1	473135852	UDZBOEHPHMLLMU-NXEZZACHSA-N	307.266	-0.463	5	1	DBBF	
O=[N+]([O-])c1ccc(S[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1	64237791	WGSGLBNWCZLFCQ-JCIQBVFBSA-N	317.319	-0.513	5	1	DBBF	
C[C@@H]1O[C@@H](c2nc3c([N+](=O)[O-])cccn3n2)[C@H](O)[C@H](O)[C@@H]1O	95613491	JFGAEKQROWIVQV-BOHATCBPSA-N	310.266	-0.820	5	1	DBBF	
NC(=O)c1cc(N(CCO)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-]	5732998	PSYZNANYYIHBSV-UHFFFAOYSA-N	314.254	-0.607	5	1	DBBF	
CCOc1ccc(N[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	13471176	AMZORTHDRNMFTE-RNJOBUHISA-N	314.294	-0.156	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@H]1CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	169306641	DVLCGDSBRKTUPZ-FFPCUQIISA-N	317.382	-0.235	5	1	DBBF	
Cc1ccc2c(c1)[n+]([O-])c1c(=O)nc(NCCO)nc-1n2C	101155652	KOGRXPHNZUKURL-UHFFFAOYSA-N	301.306	-0.221	5	1	DBBF	
O=c1[nH]c2cc([N+](=O)[O-])cc(CN3CC[C@H](O)C3)c2[nH]c1=O	27769344	UEUHQLVKMRLMGR-VIFPVBQESA-N	306.278	-0.309	5	1	DBBF	
C[C@H]1O[C@@H](c2nc3c([N+](=O)[O-])cccn3n2)[C@@H](O)[C@@H](O)C1=O	28758191	GRTZMGZEJMMQDV-MYMYLCHPSA-N	308.250	-0.612	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CC[C@@H](O)[C@H]12)[C@H](C)O	254142525	DVLCGDSBRKTUPZ-RNUZFXTQSA-N	317.382	-0.235	5	1	DBBF	
CS(=O)(=O)Nn1c(O)nc2cc([N+](=O)[O-])ccc2c1=O	71332388	JWNIKFQGMJSWIC-UHFFFAOYSA-N	300.252	-0.487	5	1	DBBF	
C=CC(=O)O[C@H](CO)CO[P@](=O)(O)OCC[N+](C)(C)C	38791433	SMXIWOJKKJRNEB-SNVBAGLBSA-O	312.279	-0.084	5	1	DBBF	
O=C(O)Cn1c(=O)cc(O)n(Cc2cccc([N+](=O)[O-])c2)c1=O	27750401	FHNOCJKWYJJEJT-UHFFFAOYSA-N	321.245	-0.243	5	1	DBBF	
CC(C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	253680502	DNAWGBOKUFFVMB-MQWZGVGHSA-N	315.366	-0.315	5	1	DBBF	
C[C@H](NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)C(=O)O	26571717	KHDFISMPMZUUKU-YFKPBYRVSA-N	308.250	-0.313	5	1	DBBF	
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@H]12)[C@@H](C)O	1722396	DNAWGBOKUFFVMB-YSHWBMDCSA-N	315.366	-0.315	5	1	DBBF	
C[C@@H](NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)C(=O)O	26573421	KHDFISMPMZUUKU-RXMQYKEDSA-N	308.250	-0.313	5	1	DBBF	
C[C@H]1O[C@H](c2nc3c([N+](=O)[O-])cccn3n2)[C@@H](O)[C@@H](O)C1=O	28758197	GRTZMGZEJMMQDV-VITNAHMWSA-N	308.250	-0.612	5	1	DBBF	
COC(=O)[C@H](CC(=O)O)NC(=O)Cn1c([N+](=O)[O-])cnc1C	103275652	VBICRBWCQOFXBX-ZETCQYMHSA-N	314.254	-0.768	5	1	DBBF	
CN(C)CCNC(=O)Cn1cnc2cccc([N+](=O)[O-])c2c1=O	1626383	ZTQUPJUEMNGAQB-UHFFFAOYSA-N	319.321	-0.018	5	1	DBBF	
CC(C)[C@@](O)(C(=O)OC[C@H]1CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	169306643	DVLCGDSBRKTUPZ-PSYMAZDRSA-N	317.382	-0.235	5	1	DBBF	
O=c1[nH]c2cc(CN3CCOCC3)c([N+](=O)[O-])cc2[nH]c1=O	27749184	CXKSAHMSWUMHTG-UHFFFAOYSA-N	306.278	-0.043	5	1	DBBF	
C[C@@H]1O[C@H](c2nc3c([N+](=O)[O-])cccn3n2)[C@@H](O)[C@@H](O)C1=O	28758194	GRTZMGZEJMMQDV-BMECBNPTSA-N	308.250	-0.612	5	1	DBBF	
O=C(O)CN1C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	1915461	YREIRIKJAMPPHC-UHFFFAOYSA-N	307.218	-0.030	5	1	DBBF	
COC(=O)C(C(=O)OC)[C@@H]1C=C[C@H](C[N+](=O)[O-])N(C(C)=O)C1	61931273	BRGJXVLQMSIZDX-NXEZZACHSA-N	314.294	-0.372	5	3	DBBF	
Cn1nc(-c2ccc([N+](=O)[O-])cc2)nc2c(=O)n(C)c(=O)nc1-2	20442839	FJVNBUQKMTUTQQ-UHFFFAOYSA-N	314.261	-0.051	5	1	DBBF	
Cn1ccnc1S(=O)(=O)NCCCn1cnc([N+](=O)[O-])n1	84687833	RCSYLCNJBLKWDC-UHFFFAOYSA-N	315.315	-0.712	5	1	DBBF	
O=C(O)[C@@H](O)[C@H](O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586886753	GWHIMGYSGVAJAK-YUMQZZPRSA-N	312.194	-0.142	5	1	DBBF	
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	5553944	DNAWGBOKUFFVMB-FVZLBROTSA-N	315.366	-0.315	5	1	DBBF	biogenic,in-vitro
C[C@@H]1O[C@@H](c2nc3c([N+](=O)[O-])cccn3n2)[C@@H](O)[C@@H](O)C1=O	28758189	GRTZMGZEJMMQDV-ALZOXMENSA-N	308.250	-0.612	5	1	DBBF	
O=C(O)COn1c(=O)[nH]c2cc(Cl)c([N+](=O)[O-])cc2c1=O	1772619024	ACNNHFGAYJDNJM-UHFFFAOYSA-N	315.625	-0.235	5	1	DBBF	
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)[C@H](C)O	390	DNAWGBOKUFFVMB-FZDFRVPBSA-N	315.366	-0.315	5	1	DBBF	
O=c1[nH]c2cc(CN3CCNCC3)c([N+](=O)[O-])cc2[nH]c1=O	27752292	QZRUGEDNWOZBHA-UHFFFAOYSA-N	305.294	-0.470	5	1	DBBF	
CC[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	14515386	BHPAZNYFNIYRGM-VQECKUQYSA-N	301.339	-0.561	5	1	DBBF	
COc1ccc(N[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	3897455	RSWFVIIFGFGSSP-YBJAMMKNSA-N	314.294	-0.157	5	1	DBBF	
O=C(O)CN1C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	13755880	ZHDASZGVIYBFEM-UHFFFAOYSA-N	307.218	-0.030	5	1	DBBF	
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n(CCO)c1=O	13759229	UEENFDWUVHOHHL-UHFFFAOYSA-N	317.261	-0.224	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	253633122	DVLCGDSBRKTUPZ-QIDIWCQUSA-N	317.382	-0.235	5	1	DBBF	
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)[C@H](C)O	1587160	DNAWGBOKUFFVMB-ZBEABRROSA-N	315.366	-0.315	5	1	DBBF	biogenic,in-vitro
O=c1[nH]c2cc([N+](=O)[O-])cc(CN3CC[C@@H](O)C3)c2[nH]c1=O	27769338	UEUHQLVKMRLMGR-SECBINFHSA-N	306.278	-0.309	5	1	DBBF	
Nc1ncnc2c1c([N+](=O)[O-])cn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O	59023814	DZCAHYNFPOMKID-DRTBCBBWSA-N	307.266	-0.883	5	1	DBBF	
O=C1NC(=O)C(O)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1	95577728	LGIWFZRBXLCBCI-UHFFFAOYSA-N	307.218	-0.735	5	1	DBBF	
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	100080420	DNAWGBOKUFFVMB-UOTXVPMVSA-N	315.366	-0.315	5	1	DBBF	
O=[N+]([O-])c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1	40914373	BUPRWIOMFPRGNU-FNCVBFRFSA-N	324.182	-0.875	5	1	DBBF	
CC(C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@H]12)[C@H](C)O	253680494	DNAWGBOKUFFVMB-KYBZKERUSA-N	315.366	-0.315	5	1	DBBF	
COC1=NC(CC(C)=O)N=C(OC)C1(C[C@@H](O)CO)[N+](=O)[O-]	26569050	ICWHWQBFHQWHTM-YDNLMGDJSA-N	317.298	-0.846	5	1	DBBF	
O=[N+]([O-])c1nccn1CS(=O)(=O)NCCN1CCOCC1	1772586015	CHZAZIMWEDYHEW-UHFFFAOYSA-N	319.343	-1.000	5	1	DBBF	
COn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21	13759244	DDTOIDWPWMIVLY-UHFFFAOYSA-N	303.234	-0.158	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@H]1CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	34171896	DVLCGDSBRKTUPZ-QDFFAXRSSA-N	317.382	-0.235	5	1	DBBF	
O=[N+]([O-])c1ccc(ON[N+](=O)N2CCNCC2)c([N+](=O)[O-])c1	138193587	JYDSLOOHUIJXSV-UHFFFAOYSA-N	313.250	-0.100	5	1	DBBF	
O=[N+]([O-])c1ccccc1S[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	16450546	SZAOZNVCHHBUDZ-KQKFNCTQSA-N	317.319	-0.513	5	1	DBBF	in-vitro
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	4213557	DNAWGBOKUFFVMB-PZIGJSDBSA-N	315.366	-0.315	5	1	DBBF	
O=[N+]([O-])c1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	95920728	IXFOBQXJWRLXMD-RMPHRYRLSA-N	317.319	-0.513	5	1	DBBF	in-vitro
NC(=O)c1ncn2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nnc12	26148035	HSNNKVLTKNOFIO-UHFFFAOYSA-N	301.222	-0.718	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@H]1CC[N+]2([O-])CC[C@@H](O)[C@H]12)[C@H](C)O	34171894	DVLCGDSBRKTUPZ-HYUSSBHPSA-N	317.382	-0.235	5	1	DBBF	
C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COC=O)OC=O	38819965	RBAWEGYJSDPEHX-SNVBAGLBSA-O	314.251	-0.459	5	1	DBBF	in-man
COC1=NC(CC(C)=O)N=C(OC)C1(C[C@H](O)CO)[N+](=O)[O-]	26569053	ICWHWQBFHQWHTM-QTZUAFFRSA-N	317.298	-0.846	5	1	DBBF	
C[C@@H]1O[C@H](c2nc3c([N+](=O)[O-])cccn3n2)[C@H](O)[C@@H](O)C1=O	253634601	GRTZMGZEJMMQDV-RAWIJENESA-N	308.250	-0.612	5	1	DBBF	
Cn1c(=O)c2c(nc3sc4ncccc4c(=O)n32)n(C)c1=O	13218824	UWMDPWAAWFXFPH-UHFFFAOYSA-N	315.314	-0.145	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	253633123	DVLCGDSBRKTUPZ-SWTKMSQOSA-N	317.382	-0.235	5	1	DBBF	
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	5553943	DNAWGBOKUFFVMB-JXSDSIQZSA-N	315.366	-0.315	5	1	DBBF	
O=C(O)CN1C(=O)[C@@H](O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	27750394	BTQCGWIDTQPKOL-SNVBAGLBSA-N	309.234	-0.238	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	253633119	DVLCGDSBRKTUPZ-CVZQHSHTSA-N	317.382	-0.235	5	1	DBBF	
O=C(O)CN1C(=O)N(Cc2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1O	27751303	DKZADCPGUZONSB-NSHDSACASA-N	309.234	-0.238	5	1	DBBF	
O=C(O)CN1C(=O)N(Cc2cccc([N+](=O)[O-])c2)C(=O)[C@H]1O	27751312	DKZADCPGUZONSB-LLVKDONJSA-N	309.234	-0.238	5	1	DBBF	
CC(=O)Nc1nc(NC[C@@H](O)CO)c(Cl)nc1[N+](=O)[O-]	29392016	PJHDYNJIFZCGQN-RXMQYKEDSA-N	305.678	-0.238	5	1	DBBF	
O=C(O)[C@H](O)[C@@H](O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586886730	GWHIMGYSGVAJAK-HTQZYQBOSA-N	312.194	-0.142	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	17174574	DVLCGDSBRKTUPZ-VECWXRPPSA-N	317.382	-0.235	5	1	DBBF	
C[N+](C)(C)C[C@H](Cn1ccc(N)nc1=O)OCP(=O)(O)O	26980946	AGTYBYJNORXZIU-VIFPVBQESA-O	321.294	-0.948	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CC[C@@H](O)[C@H]12)[C@H](C)O	5733297	DVLCGDSBRKTUPZ-YCPXMGHRSA-N	317.382	-0.235	5	1	DBBF	
O=C(O)CCNCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12	26572105	DXUXBLGBVNIMAY-UHFFFAOYSA-N	308.250	-0.311	5	1	DBBF	
Cn1c(=O)c2c(n(C)c1=O)n1c(=O)c3ccccc3nc1n2C	1650464	JAAQXDSRVIXPKG-UHFFFAOYSA-N	311.301	-0.263	5	1	DBBF	
COc1ccc(N[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	3897457	RSWFVIIFGFGSSP-JMQJUWAASA-N	314.294	-0.157	5	1	DBBF	
CC(C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@H]12)[C@@H](C)O	253680492	DNAWGBOKUFFVMB-BCEUIYSSSA-N	315.366	-0.315	5	1	DBBF	
O=C(Cn1ccn2cc([N+](=O)[O-])nc2c1=O)N1CCOCC1	1857567243	FMHFHBRITZTGKJ-UHFFFAOYSA-N	307.266	-0.737	5	1	DBBF	
CC(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@@H](C)O	87528946	VKNGBVYUXUSPPN-KOLCDFICSA-O	313.311	-0.288	5	1	DBBF	in-vitro
O=C1NC(=O)C(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)N1	103238346	RNIIUXKLDAZEDO-UHFFFAOYSA-N	322.189	-0.332	5	1	DBBF	
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@H]12)[C@H](C)O	136872010	DNAWGBOKUFFVMB-JDSLSXLSSA-N	315.366	-0.315	5	1	DBBF	
O=C(O)[C@@H](O)[C@@H](O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586886751	GWHIMGYSGVAJAK-SFYZADRCSA-N	312.194	-0.142	5	1	DBBF	
Cc1ccc(N[C@@H]2O[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-]	3151446	QYGZBLQSDVTLBE-PJSNJIKXSA-N	314.294	-0.885	5	1	DBBF	
Cc1ccc(N[C@@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-]	13155069	QYGZBLQSDVTLBE-JZRPKSSGSA-N	314.294	-0.885	5	1	DBBF	
O=C1N=C[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1	4006980	QGKJFGGOQJLFAT-QMMMGPOBSA-N	302.202	-0.120	5	1	DBBF	
Nc1ccc(C(=O)NCCNC(=O)CCCC(=O)NO)cc1	168564493	DKZHSISNEFUSOC-UHFFFAOYSA-N	308.338	-0.210	5	1	DBBF	
O=C(Cn1ccnc1[N+](=O)[O-])N1CCN(c2ncccn2)CC1	473152302	SVRRSHIMBSPADA-UHFFFAOYSA-N	317.309	-0.070	5	1	DBBF	
CN1CCN(Cc2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])CC1	27761816	WLEWTAFTZNIHQE-UHFFFAOYSA-N	319.321	-0.128	5	1	DBBF	
CC(C)[C@@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@H](O)[C@@H]12)[C@H](C)O	255206894	DNAWGBOKUFFVMB-LLKOPVJYSA-N	315.366	-0.315	5	1	DBBF	
Cn1c2c(N)cc(N)cc2c(=O)n2nc(C(=O)O)c([N+](=O)[O-])c12	1772651993	WIYALYURZUXHPW-UHFFFAOYSA-N	318.249	-0.043	5	1	DBBF	
Cn1c(=O)c2c(nc3n(C)c(=O)c4ccccc4n23)n(C)c1=O	13216902	PESRKTGIPJCHCL-UHFFFAOYSA-N	311.301	-0.263	5	1	DBBF	
COC(=O)c1ccc(=O)c2nc3c(=CO)c(O)cc(=O)c3[nH]c12	2356328632	YDXARWIJAYOANV-UHFFFAOYSA-N	314.253	-0.056	5	1	DBBF	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	253633121	DVLCGDSBRKTUPZ-LMNBOPHZSA-N	317.382	-0.235	5	1	DBBF	
O=C(O)[C@H](O)[C@H](O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586886749	GWHIMGYSGVAJAK-JGVFFNPUSA-N	312.194	-0.142	5	1	DBBF	
O=c1[nH]c2cc(CN3CC[C@@H](O)C3)c([N+](=O)[O-])cc2[nH]c1=O	27760243	JSLNXPSRBFPXKW-MRVPVSSYSA-N	306.278	-0.309	5	1	DBBF	
Nc1ccnc2c1c([N+](=O)[O-])cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	1857555160	BVFLLYKKVVZAQK-UGKPPGOTSA-N	310.266	-0.862	5	1	DBBF	
COc1ccc(N[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	3897456	RSWFVIIFGFGSSP-AMIZFAKSSA-N	314.294	-0.157	5	1	DBBF	
NCCCCN(CCCN)C[C@H](O)Cn1ccnc1[N+](=O)[O-]	29321225	HEDZCERGSFDJTM-LBPRGKRZSA-N	314.390	-0.458	5	1	DBBF	
O=[N+]([O-])c1ccccc1S[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	59066302	SZAOZNVCHHBUDZ-KICMGLQKSA-N	317.319	-0.513	5	1	DBBF	in-vitro
CC(=O)OC[C@@H](O)CO[P@](=O)(O)OCC[N+](C)(C)C	13514265	RYCNUMLMNKHWPZ-SNVBAGLBSA-O	300.268	-0.250	5	1	DBBF	in-vitro
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	17174577	DVLCGDSBRKTUPZ-AFGBEZJOSA-N	317.382	-0.235	5	1	DBBF	
CC(C)[C@@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@@H]12)[C@H](C)O	299806622	DNAWGBOKUFFVMB-APDPGRRMSA-N	315.366	-0.315	5	1	DBBF	
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O	103275719	DZWGCVQMAGWTKC-VIFPVBQESA-N	322.281	-0.365	5	1	DBBF	
CC(=O)Nc1nc(NC[C@H](O)CO)c(Cl)nc1[N+](=O)[O-]	29392019	PJHDYNJIFZCGQN-YFKPBYRVSA-N	305.678	-0.238	5	1	DBBF