smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1cccc2[nH]c(C3CC3)cc12	39325791	HSJVJOCVBCVOIX-UHFFFAOYSA-N	202.213	2.954	5	30	BFBC	
CCC(=O)c1cc([N+](=O)[O-])ccc1Cl	142648619	JTALSYCLUJPGLD-UHFFFAOYSA-N	213.620	2.841	5	30	BFBC	
O=[N+]([O-])c1cccc(-c2ccccc2)c1CO	96341613	YRILKGJFCYURBK-UHFFFAOYSA-N	229.235	2.754	5	30	BFBC	
C[C@@H](O)CCc1c(Cl)cccc1[N+](=O)[O-]	82582820	QQNKXAHRMNALEZ-SSDOTTSWSA-N	229.663	2.562	5	30	BFBC	in-vitro
CCCCC(=O)c1ccc([N+](=O)[O-])cc1	21994214	LQCRSKSCUSXMJH-UHFFFAOYSA-N	207.229	2.968	5	30	BFBC	
O=[N+]([O-])c1c(Cl)ccc2ccncc12	39382224	AJXDGQAGFNMGBO-UHFFFAOYSA-N	208.604	2.796	5	30	BFBC	in-vitro
CN(C)/C=C/c1ccc([N+](=O)[O-])cc1Cl	95751985	XFDOABBRZKPSAF-AATRIKPKSA-N	226.663	2.781	5	30	BFBC	
CCCCc1ccc(O)c([N+](=O)[O-])c1[N+](=O)[O-]	96662709	JWSIYTYVIDKSRP-UHFFFAOYSA-N	240.215	2.551	5	30	BFBC	
O=[N+]([O-])c1cc(F)cc2ccc(Cl)nc12	95883903	DNFXHLZULBLODY-UHFFFAOYSA-N	226.594	2.936	5	30	BFBC	in-vitro
COc1c(C)ccc([N+](=O)[O-])c1Cl	96321224	LMRBKJIAUIXDGV-UHFFFAOYSA-N	201.609	2.565	5	30	BFBC	in-vitro
Nc1ccc2nc3cc(N)ccc3cc2c1	27556187	AXNLREBQOMGJMQ-UHFFFAOYSA-N	209.252	2.552	5	30	BFBC	
CC1CCN(c2ccc([N+](=O)[O-])c(O)c2)CC1	20413277	XLBYPCXKNAUCKD-UHFFFAOYSA-N	236.271	2.537	5	30	BFBC	
Cc1cc([N+](=O)[O-])c2ncccc2c1C	5159931	XFLPCFACRGFFQN-UHFFFAOYSA-N	202.213	2.760	5	30	BFBC	
O=[N+]([O-])c1ccc(CN2CCCCC2)cc1F	94774153	COVJXWAYAMWMGH-UHFFFAOYSA-N	238.262	2.720	5	30	BFBC	
O=[N+]([O-])c1ccc(-c2ccns2)cc1	96331907	ZUCQWDYMGSLTFU-UHFFFAOYSA-N	206.226	2.718	5	30	BFBC	
O=c1cc(Cl)nc2c3ccccc3ccn12	21987206	BYRWJYALSBHOFU-UHFFFAOYSA-N	230.654	2.501	5	30	BFBC	
O=[N+]([O-])c1cccc(-c2nc3ncccc3[nH]2)c1	5117152	QYNKRSWQVLQTDJ-UHFFFAOYSA-N	240.222	2.533	5	30	BFBC	
Cc1cc(=O)oc2ccc3c(O)cccc3c12	82292957	PAZFVVGBCQIKSH-UHFFFAOYSA-N	226.231	2.960	5	30	BFBC	
COc1ccc(/C=C\[N+](=O)[O-])c(C)c1C	223768714	SSYIRPOXKRYQFR-SREVYHEPSA-N	207.229	2.559	5	30	BFBC	
O=[N+]([O-])c1cccc(-n2cnc3ccccc32)c1	13782566	YZJZOMBEMQCWAM-UHFFFAOYSA-N	239.234	2.934	5	30	BFBC	
CCOC(=O)c1cc2ccccc2cc1[N+](=O)[O-]	39263557	IBWVNHFLMNMWNK-UHFFFAOYSA-N	245.234	2.925	5	30	BFBC	
CCC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	2573992	SANYDHDAOAMYKV-UHFFFAOYSA-N	229.619	2.547	5	30	BFBC	
CCc1cnc2scc([N+](=O)[O-])c2c1	32232680	XAGKEUMREIMUDZ-UHFFFAOYSA-N	208.242	2.767	5	30	BFBC	
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(C)(C)C	113104	QEUXJNNBYSFXPZ-UHFFFAOYSA-N	239.319	2.923	5	30	BFBC	
Cc1ccc(F)c(Br)c1[N+](=O)[O-]	306265077	DGLXSGIFXXSQNX-UHFFFAOYSA-N	234.024	2.805	5	30	BFBC	
CC(=O)Nc1ccc(C(C)C)c([N+](=O)[O-])c1	2265384577	VWYHLCFKWLDACE-UHFFFAOYSA-N	222.244	2.677	5	30	BFBC	
O=[N+]([O-])c1cccc(-c2nnsc2Cl)c1	334163866	RAXOVYVBHMOHJK-UHFFFAOYSA-N	241.659	2.767	5	30	BFBC	
O=c1[nH]c(=S)[nH]c2cc3ccccc3cc12	21950082	AUMIGSXHPRZFBI-UHFFFAOYSA-N	228.276	2.739	5	30	BFBC	
CNc1cc(Br)c(C)cc1[N+](=O)[O-]	307276791	XTICQHNXPWYOLG-UHFFFAOYSA-N	245.076	2.707	5	30	BFBC	
COc1cccc2c(=O)c3ccccc3n(C)c12	6633109	NHTBSYLCXKTPTC-UHFFFAOYSA-N	239.274	2.700	5	30	BFBC	
CSc1ccc([N+](=O)[O-])c2ncccc12	95883314	OHSLLHBIYNKTEG-UHFFFAOYSA-N	220.253	2.865	5	30	BFBC	in-vitro
COc1ccc(C)c([N+](=O)[O-])c1Cl	306921242	PPPVKPRYVAQYTF-UHFFFAOYSA-N	201.609	2.565	5	30	BFBC	
CC(C)c1nc(Cl)c([N+](=O)[O-])c(Cl)n1	39206892	QLQHMNSOEMZVEV-UHFFFAOYSA-N	236.058	2.815	5	30	BFBC	
CCOc1cc([N+](=O)[O-])ccc1N1CCCC1	5139889	KJWAQCRRFKAAIW-UHFFFAOYSA-N	236.271	2.594	5	30	BFBC	
Cc1cccc2nc3cccc(C(=O)O)c3nc12	4571544	JPRPEGGFLLPQJB-UHFFFAOYSA-N	238.246	2.790	5	30	BFBC	
O=[N+]([O-])c1cccc(-n2ncc3ccccc32)c1	21988148	PFGIPNGVZVPQFS-UHFFFAOYSA-N	239.234	2.934	5	30	BFBC	
CC(C)CC(=O)c1ccc([N+](=O)[O-])cc1	49813705	PKIHBNJZQHOZOQ-UHFFFAOYSA-N	207.229	2.824	5	30	BFBC	in-vitro
Cc1cnc2c([N+](=O)[O-])cccc2c1C	2004054	FKXPOWALVWGYNT-UHFFFAOYSA-N	202.213	2.760	5	30	BFBC	
Nc1ccc(-c2cccs2)cc1[N+](=O)[O-]	114316038	YAYYYILNXVGFEZ-UHFFFAOYSA-N	220.253	2.906	5	30	BFBC	in-vitro
CCC(=O)Oc1c(C)cc(Cl)cc1[N+](=O)[O-]	141919457	NYTNOFYCTVSXMC-UHFFFAOYSA-N	243.646	2.872	5	30	BFBC	
CNc1c([N+](=O)[O-])ccc(Br)c1C	98210121	BKLHKYCBLIMUBX-UHFFFAOYSA-N	245.076	2.707	5	30	BFBC	
CC1(C)C(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1	88177542	LQWDJSRFXLJIAC-JTQLQIEISA-N	219.240	2.677	5	30	BFBC	
CCc1cc([N+](=O)[O-])cc(CC)c1OC	39101359	QQZCMCVNMAXYLY-UHFFFAOYSA-N	209.245	2.728	5	30	BFBC	
CCOc1cccc([N+](=O)[O-])c1Cl	40435327	RDZFDWBNJDFXFN-UHFFFAOYSA-N	201.609	2.647	5	30	BFBC	
O=[N+]([O-])c1cc2ccccc2cc1[N+](=O)[O-]	31302559	IBKNJPIEUANCFH-UHFFFAOYSA-N	218.168	2.656	5	30	BFBC	in-vitro
O=[N+]([O-])c1cc(CN2CCCCC2)ccc1F	38526365	ODCAALVDGZDACW-UHFFFAOYSA-N	238.262	2.720	5	30	BFBC	
Nc1cc(Cl)c(F)c(Cl)c1[N+](=O)[O-]	232060285	NOFZAQNJEYFLOY-UHFFFAOYSA-N	225.006	2.623	5	30	BFBC	
CCOc1ccc(/C=C(\C)[N+](=O)[O-])cc1OC	98137	GGJAAVDMUPIJAR-VQHVLOKHSA-N	237.255	2.731	5	30	BFBC	
O=[N+]([O-])c1ccc(Oc2ccccc2F)nc1	166509	JBQFWUDJPLCFND-UHFFFAOYSA-N	234.186	2.921	5	30	BFBC	
O=[N+]([O-])c1nn(C2CCCC2)cc1Cl	69760062	PZFGFGNMVJNXFH-UHFFFAOYSA-N	215.640	2.560	5	30	BFBC	
O=[N+]([O-])c1ccccc1-c1ncc2ccccn12	145293	KEJFRSHZDKLLBP-UHFFFAOYSA-N	239.234	2.910	5	30	BFBC	
Cc1cc(Br)c([N+](=O)[O-])s1	83306651	DXZJZRWRQPHWMH-UHFFFAOYSA-N	222.063	2.727	5	30	BFBC	in-vitro
O=[N+]([O-])c1ccc(-c2ccccn2)s1	149015	JEYKDKHQJPHRQG-UHFFFAOYSA-N	206.226	2.718	5	30	BFBC	
C[C@H]1C[C@@H](c2ccc([N+](=O)[O-])cc2)CC[N+]1(C)C	1535644825	QJTMPQKHTNBUBL-AAEUAGOBSA-N	249.334	2.937	5	30	BFBC	
CC(C)(C)[C@H]1Cc2cc([N+](=O)[O-])ccc2N1	95934952	LYKLAWGRKFNPKM-LLVKDONJSA-N	220.272	2.978	5	30	BFBC	
O=[N+]([O-])c1ccc(-c2cnc3ccccn23)o1	5117573	ZDFULRQJRIJLRF-UHFFFAOYSA-N	229.195	2.503	5	30	BFBC	
O=[N+]([O-])c1c(F)ccc2cnc(Cl)cc12	725326776	UVLNEBQKDGWLOX-UHFFFAOYSA-N	226.594	2.936	5	30	BFBC	
NCc1nc2ccccc2c2ccccc12	136998740	VMEGXCFNOZAQFJ-UHFFFAOYSA-N	208.264	2.847	5	30	BFBC	
CC(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1848586	BAWGGSYXBBWRAO-UHFFFAOYSA-N	210.189	2.626	5	30	BFBC	
CC(C)(C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	4300063	LAEFJQXOYMOWJC-UHFFFAOYSA-N	240.234	2.719	5	30	BFBC	
O=[N+]([O-])c1cccc([C@@H]2OCCCS2)c1	39325861	VPJPYNIJEIUSBE-SNVBAGLBSA-N	225.269	2.747	5	30	BFBC	
O=[N+]([O-])c1ccc(Sc2ccccn2)nc1	132727	YTPBBDPUVGPTBV-UHFFFAOYSA-N	233.252	2.536	5	30	BFBC	
Cc1cc([N+](=O)[O-])cnc1N1CCCC[C@@H]1C	95347650	YNIYBHHGHIYXBR-JTQLQIEISA-N	235.287	2.677	5	30	BFBC	
COc1ccc(Cl)c(C)c1[N+](=O)[O-]	306515864	AHLZROMBSQMRRZ-UHFFFAOYSA-N	201.609	2.565	5	30	BFBC	
O=[N+]([O-])c1ccc(Cl)c(C(F)(F)F)n1	306782262	CHJHZQRADWPUEA-UHFFFAOYSA-N	226.541	2.662	5	30	BFBC	
CC1(C)C(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1	88177543	LQWDJSRFXLJIAC-SNVBAGLBSA-N	219.240	2.677	5	30	BFBC	
CCCCC(=O)Oc1ccccc1[N+](=O)[O-]	66324821	TXLDZAACLLESTQ-UHFFFAOYSA-N	223.228	2.690	5	30	BFBC	
O=[N+]([O-])c1ccc(OC(F)F)c2cccnc12	95883667	BFVIFNLYYAJIJD-UHFFFAOYSA-N	240.165	2.744	5	30	BFBC	
CC(=O)c1oc([N+](=O)[O-])c(Cl)c1Cl	5167501	XFXWVERCUJGBEA-UHFFFAOYSA-N	223.999	2.697	5	30	BFBC	
CCCCCOC(=O)c1ccc([N+](=O)[O-])cc1	5512856	BFKGHSXQYBELBN-UHFFFAOYSA-N	237.255	2.942	5	30	BFBC	
O=[N+]([O-])c1cc(Cl)cc2c(Cl)n[nH]c12	14985816	NELXRSVXPWIVOY-UHFFFAOYSA-N	232.026	2.778	5	30	BFBC	
C[Si](C)(C)c1cc([N+](=O)[O-])c(F)c(F)c1F	196002740	AOEPVXTVKXWQQD-UHFFFAOYSA-N	249.264	2.557	5	30	BFBC	
O=[N+]([O-])c1cc(F)ccc1/C=C/N1CCCC1	59299534	RXOWSHZUOGYDAH-VMPITWQZSA-N	236.246	2.800	5	30	BFBC	
CCOc1cccc(/C=C(\C)[N+](=O)[O-])c1	39099533	NGYPKBMHHLUPAR-VQHVLOKHSA-N	207.229	2.723	5	30	BFBC	
Cc1noc(/C=C/c2ccco2)c1[N+](=O)[O-]	109025	BTBANLFSKWQHNF-SNAWJCMRSA-N	220.184	2.655	5	30	BFBC	
Cc1cc(Br)c(C)c([N+](=O)[O-])c1N	5587439	PLSQIZWWMYJLCK-UHFFFAOYSA-N	245.076	2.556	5	30	BFBC	
Cc1cc([N+](=O)[O-])cnc1N1CCCC[C@H]1C	95347651	YNIYBHHGHIYXBR-SNVBAGLBSA-N	235.287	2.677	5	30	BFBC	
COc1cc(Cl)c(C)c([N+](=O)[O-])c1	14985818	CIMSAJLMWBOEDI-UHFFFAOYSA-N	201.609	2.565	5	30	BFBC	in-vitro
CC(C)(CCCCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]	37625036	STLNRFLDLGVJNK-UHFFFAOYSA-N	232.280	2.657	5	30	BFBC	
CCCCc1ccc(NC(C)=O)c([N+](=O)[O-])c1	5647503	XXHAVEZHZLGQOE-UHFFFAOYSA-N	236.271	2.896	5	30	BFBC	
COc1cc(C(F)(F)F)c(F)cc1[N+](=O)[O-]	575709915	COCJPNNRXWJXMZ-UHFFFAOYSA-N	239.124	2.761	5	30	BFBC	
O=[N+]([O-])c1cccc(-c2c[nH]c(=S)[nH]2)c1	80167	OQHHFWLVFSHBIP-UHFFFAOYSA-N	221.241	2.647	5	30	BFBC	
O=[N+]([O-])c1ccc(Cl)c2c1CCCN2	82163934	FRGXPNHJORJDMV-UHFFFAOYSA-N	212.636	2.606	5	30	BFBC	in-vitro
CC(C)(C)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1	95934951	LYKLAWGRKFNPKM-NSHDSACASA-N	220.272	2.978	5	30	BFBC	
COC(=O)c1csc2cc([N+](=O)[O-])ccc12	98181400	NSDNRPBWMZNRFB-UHFFFAOYSA-N	237.236	2.596	5	30	BFBC	
O=[N+]([O-])c1cccc2c(Cl)ncc(F)c12	117743472	VUTDHGJLHVFWJQ-UHFFFAOYSA-N	226.594	2.936	5	30	BFBC	
O=C(O)c1cc2c([N+](=O)[O-])c(Cl)ccc2o1	141536451	MWOMINAOKXQTLS-UHFFFAOYSA-N	241.586	2.693	5	30	BFBC	
O=[N+]([O-])c1c(Cl)ccc2cnccc12	82767290	BPLBUNQXZPZQNY-UHFFFAOYSA-N	208.604	2.796	5	30	BFBC	in-vitro
O=[N+]([O-])c1ccc(O)c(C2CCCC2)c1	31333341	ABDCPGIQMBSVEO-UHFFFAOYSA-N	207.229	2.958	5	30	BFBC	
CCc1cccc(Br)c1[N+](=O)[O-]	39102942	LXFNOYWGIXBJLG-UHFFFAOYSA-N	230.061	2.920	5	30	BFBC	
O=[N+]([O-])c1cccc(-c2nnc(C3CC3)o2)c1	143479	QNZAUEWWRKRHIE-UHFFFAOYSA-N	231.211	2.522	5	30	BFBC	
C[C@H]1C[C@H](c2ccc([N+](=O)[O-])cc2)CC[N+]1(C)C	1535644827	QJTMPQKHTNBUBL-WCQYABFASA-N	249.334	2.937	5	30	BFBC	
CCc1sc(C(C)(C)C)nc1[N+](=O)[O-]	39101736	IHGFQKUWRDFMLZ-UHFFFAOYSA-N	214.290	2.911	5	30	BFBC	
O=[N+]([O-])c1ccc(-c2cccnc2)s1	13607081	RNWSTVKLOPFKBR-UHFFFAOYSA-N	206.226	2.718	5	30	BFBC	
C[C@H](O)CCc1c(Cl)cccc1[N+](=O)[O-]	82582819	QQNKXAHRMNALEZ-ZETCQYMHSA-N	229.663	2.562	5	30	BFBC	in-vitro
Nc1ccccc1Oc1ccccc1[N+](=O)[O-]	38056557	OUTDXUCMQFKRGG-UHFFFAOYSA-N	230.223	2.969	5	30	BFBC	
O=[N+]([O-])c1ccc2ccn(C3CC3)c2c1	2265351249	WBMYDFZUCQOGCO-UHFFFAOYSA-N	202.213	2.884	5	30	BFBC	
O=[N+]([O-])c1ccc2ncccc2c1-n1cccc1	93176	WELLSXCNVOSIOG-UHFFFAOYSA-N	239.234	2.934	5	30	BFBC	
Cc1ccc2nc3c(N)cccc3nc2c1	39117973	YKJSZFLJSJYXSJ-UHFFFAOYSA-N	209.252	2.674	5	30	BFBC	
CCNc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-]	4365193	PPUPJCKZNOERIK-UHFFFAOYSA-N	245.622	2.588	5	30	BFBC	
C[C@@H]1C[C@@H](c2ccc([N+](=O)[O-])cc2)CC[N+]1(C)C	1535644828	QJTMPQKHTNBUBL-YPMHNXCESA-N	249.334	2.937	5	30	BFBC	
COCc1cc([N+](=O)[O-])ccc1C(C)C	5761636	SLWIWWNAEFYJIS-UHFFFAOYSA-N	209.245	2.865	5	30	BFBC	
O=[N+]([O-])c1c(Cl)cc(O)cc1Cl	34583532	GETDFRCRBVJZCK-UHFFFAOYSA-N	208.000	2.607	5	30	BFBC	
CCOc1cc([N+](=O)[O-])c(C)cc1Cl	5863069	ZUWXJEWJAWOZRW-UHFFFAOYSA-N	215.636	2.955	5	30	BFBC	
COc1ccc2sc(C)nc2c1[N+](=O)[O-]	45236224	VHKFDVAGZFRKRA-UHFFFAOYSA-N	224.241	2.522	5	30	BFBC	
O=[N+]([O-])c1ccc(-c2cnc3sccn23)cc1	33753828	NSVRFJGCMMEEDL-UHFFFAOYSA-N	245.263	2.971	5	30	BFBC	
CC[Si](CC)(CC)CCC[N+](C)(C)CCO	195785237	JTHNFDLGGBEMAE-UHFFFAOYSA-N	246.491	2.954	5	30	BFBC	
CC(C)(C)Oc1cc(F)ccc1[N+](=O)[O-]	88613612	PORIJRZUPCCODO-UHFFFAOYSA-N	213.208	2.911	5	30	BFBC	in-vitro
O=[N+]([O-])c1cccc([C@H]2OCCCS2)c1	39325862	VPJPYNIJEIUSBE-JTQLQIEISA-N	225.269	2.747	5	30	BFBC	
O=C1Nc2ccc([N+](=O)[O-])cc2C12CCCCC2	90411696	ISKPNMFYPKTROP-UHFFFAOYSA-N	246.266	2.749	5	30	BFBC	
Cc1nc2ccc(F)c([N+](=O)[O-])c2s1	45236503	CYZXLFNPCKJSLW-UHFFFAOYSA-N	212.205	2.652	5	30	BFBC	
CCC(=O)c1cc(C)c(C)c([N+](=O)[O-])c1O	96330830	KNLBZTFYJMLZGP-UHFFFAOYSA-N	223.228	2.510	5	30	BFBC	
O=[N+]([O-])c1ccc(NCc2cccs2)nc1	20135402	ZONUUGOXFGLKTK-UHFFFAOYSA-N	235.268	2.663	5	30	BFBC	
COCC[C@H]1CCNc2cc([N+](=O)[O-])ccc21	1535644691	MNWPADVMZZFNAK-SECBINFHSA-N	236.271	2.531	5	30	BFBC	
O=[N+]([O-])c1cccc(-c2cccc(CO)c2)c1	22201700	WLNYHFRSZASVKC-UHFFFAOYSA-N	229.235	2.754	5	30	BFBC	
CCOC(=O)c1cc2c([N+](=O)[O-])cccc2o1	85224874	DIAZDDCAVONYDR-UHFFFAOYSA-N	235.195	2.518	5	30	BFBC	
CC(C)(C)c1ccc2[nH]cc([N+](=O)[O-])c(=O)c2c1	2265384942	IVOGIJMQZQAJOX-UHFFFAOYSA-N	246.266	2.734	5	30	BFBC	
O=[N+]([O-])c1cc(-c2ncc[nH]2)ccc1Cl	137906652	YWYKVCFKQQOPIH-UHFFFAOYSA-N	223.619	2.638	5	30	BFBC	
O=c1cc(O)c2cccc3c4ccccc4n1c23	2144988	WAUSMTNXPUNZOO-UHFFFAOYSA-N	235.242	2.749	5	30	BFBC	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)O	19869591	LPCHMVSSQVKJPS-UHFFFAOYSA-N	241.268	2.795	5	30	BFBC	in-vitro
CC(C)(C)c1cc(N)c([N+](=O)[O-])s1	44137438	NBAWJKGJNPQIGV-UHFFFAOYSA-N	200.263	2.536	5	30	BFBC	
COCC[C@@H]1CCNc2cc([N+](=O)[O-])ccc21	1535644694	MNWPADVMZZFNAK-VIFPVBQESA-N	236.271	2.531	5	30	BFBC	
O=[N+]([O-])c1c(Cl)nc2cc(Cl)ccn12	1535645171	REEGKMMALSUWMI-UHFFFAOYSA-N	232.026	2.549	5	30	BFBC	
CCCCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	21995810	DBBAKOSVOAEWCF-RMKNXTFCSA-N	249.266	2.951	5	30	BFBC	
NCC1(c2ccc([N+](=O)[O-])cc2)CCCCC1	1535900844	BLYBYIDJRHSEKM-UHFFFAOYSA-N	234.299	2.755	5	30	BFBC	
Cc1nccc2c([N+](=O)[O-])ccc(F)c12	536960089	ONSUNDKJHCSCKM-UHFFFAOYSA-N	206.176	2.591	5	30	BFBC	
Cc1c2cc(N)ccc2c2ccc(=N)cc-2n1C	606573826	VQBIZDCDUFVUBK-UHFFFAOYSA-N	237.306	2.653	5	30	BFBC	
O=[N+]([O-])c1cnc(Cl)c(C(F)F)c1	238690715	PXAGJPZBDIKUAQ-UHFFFAOYSA-N	208.551	2.581	5	30	BFBC	
CC(=O)c1cc(C(C)C)cc([N+](=O)[O-])c1O	2573986	KXMQCCSXWFSJPC-UHFFFAOYSA-N	223.228	2.626	5	30	BFBC	
O=[N+]([O-])c1ccccc1-c1nc2ccncc2[nH]1	5117310	IOVKJTYJINNZEP-UHFFFAOYSA-N	240.222	2.533	5	30	BFBC	
O=c1[nH]c2ccc([N+](=O)[O-])cc2c2ccccc12	17425960	KLNFQJDLPUPRJZ-UHFFFAOYSA-N	240.218	2.590	5	30	BFBC	
CC(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	72231779	YBLUIYFXRGYDJF-UHFFFAOYSA-N	233.145	2.816	5	30	BFBC	
CNc1c(C)cc(Br)cc1[N+](=O)[O-]	115747158	BBFHMZIXRHHXHT-UHFFFAOYSA-N	245.076	2.707	5	30	BFBC	
CC(F)(F)c1cc([N+](=O)[O-])ccc1F	107269574	SLHUWMLRDHOSEI-UHFFFAOYSA-N	205.135	2.846	5	30	BFBC	
CCC(=O)CSc1ccccc1[N+](=O)[O-]	50181982	BHAQSZZVPXHYPI-UHFFFAOYSA-N	225.269	2.666	5	30	BFBC	in-vitro
CCCN(CCC)c1ccc([N+](=O)[O-])cn1	78330913	PIBJOBKDWMMXDN-UHFFFAOYSA-N	223.276	2.616	5	30	BFBC	
O=c1cc2c3ccccc3c3cccc(c3-2)c1=O	2037278	BGTNPCLOWLFRRR-UHFFFAOYSA-N	232.238	2.694	5	30	BFBC	
O=[N+]([O-])c1cc2scnc2cc1Cl	45237177	OCARCLRLOLFHPY-UHFFFAOYSA-N	214.633	2.858	5	30	BFBC	
CSc1ccc([N+](=O)[O-])cc1Cl	39018536	QHJSWRHNWKGUII-UHFFFAOYSA-N	203.650	2.970	5	30	BFBC	
Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2	1774021001	JDFGKQNZCKSYQT-UHFFFAOYSA-N	226.235	2.748	5	30	BFBC	
O=[N+]([O-])c1ccc(-c2nc3ncccc3[nH]2)cc1	5117293	SNEPVAQSJPTXCK-UHFFFAOYSA-N	240.222	2.533	5	30	BFBC	
Cc1nc(Cl)c([N+](=O)[O-])c(Cl)c1C	38857511	CEGLXJGCOGYSFS-UHFFFAOYSA-N	221.043	2.913	5	30	BFBC	
Cc1nc([N+](=O)[O-])cc2[nH]c3ccccc3c12	6069151	MVHWCKZQGXOVJX-UHFFFAOYSA-N	227.223	2.933	5	30	BFBC	in-vitro
Cc1cc(Cl)c(S)cc1[N+](=O)[O-]	217533735	MPFZUMJEDKLKER-UHFFFAOYSA-N	203.650	2.845	5	30	BFBC	
COC(=O)c1ccc2ccccc2c1[N+](=O)[O-]	44199783	JOBULQXHDUJYCX-UHFFFAOYSA-N	231.207	2.535	5	30	BFBC	in-vitro
O=c1oc2ccccc2c2cccc([N+](=O)[O-])c12	5935097	RRBHCIXYRBIXMK-UHFFFAOYSA-N	241.202	2.854	5	30	BFBC	
CN(C)c1cccc2c1nnc1ccccc12	32237465	GXDYAGXNORNWKE-UHFFFAOYSA-N	223.279	2.849	5	30	BFBC	
Cc1nc2cc([N+](=O)[O-])ccc2n1C(C)C	38236228	JXWCDQWCVRFCMT-UHFFFAOYSA-N	219.244	2.834	5	30	BFBC	
C[C@@H]1C[C@H](c2ccc([N+](=O)[O-])cc2)CC[N+]1(C)C	1535644826	QJTMPQKHTNBUBL-DGCLKSJQSA-N	249.334	2.937	5	30	BFBC