smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cccc(C)c1Oc1ccc([N+](=O)[O-])cn1	19651539	MVNSRPAQFQYAIQ-UHFFFAOYSA-N	244.250	3.399	5	30	BGBC	
CCN(CC[N+](CC)(CC)CC)c1ccccc1	5139611	NYKQICPLCYZSLW-UHFFFAOYSA-N	249.422	3.389	5	30	BGBC	
O=[N+]([O-])c1cccnc1Sc1cccs1	96554	VPNKLADRVPHAPB-UHFFFAOYSA-N	238.293	3.203	5	30	BGBC	
CN(C)c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)o1	223387947	JORMXZSBFHITRO-ONEGZZNKSA-N	248.238	3.017	5	30	BGBC	
O=[N+]([O-])c1ccc(F)c(SC(F)(F)F)c1	34295765	CAKWJBKQZUOMMF-UHFFFAOYSA-N	241.165	3.346	5	30	BGBC	
NCc1nc2c3ccccc3c3ccccc3c2[nH]1	222950570	RQHPWIGKOSNAPY-UHFFFAOYSA-N	247.301	3.328	5	30	BGBC	
Cc1ccc([C@H]2CC=CC[C@@H]2[N+](=O)[O-])cc1	111522	VKSJENMJVUPEPF-OLZOCXBDSA-N	217.268	3.074	5	30	BGBC	
Cc1ccc(-c2cc(N)c([N+](=O)[O-])s2)cc1	44138684	YGTDFCIRFLHTMK-UHFFFAOYSA-N	234.280	3.214	5	30	BGBC	
C[C@]1([N+](=O)[O-])O[C@@H]1c1cccc(Cl)c1Cl	299805662	ZUKKYMPSYKINBM-BDAKNGLRSA-N	248.065	3.058	5	30	BGBC	
COc1cc(C)c([N+](=O)[O-])cc1C(C)(C)C	82599936	XZZSGPYXQXQYNL-UHFFFAOYSA-N	223.272	3.209	5	30	BGBC	
Nc1cccc2cc3c(N)cccc3cc12	3660789	HRDWUZRHCJPOFA-UHFFFAOYSA-N	208.264	3.157	5	30	BGBC	
Cc1ccc(/C=C/c2ncc([N+](=O)[O-])o2)cc1	223395276	WIIPJUDVLRWEHV-VOTSOKGWSA-N	230.223	3.062	5	30	BGBC	
C[C@]1([N+](=O)[O-])O[C@H]1c1cccc(Cl)c1Cl	299805664	ZUKKYMPSYKINBM-IUCAKERBSA-N	248.065	3.058	5	30	BGBC	
c1ccc(C[N@+]23CCCCCC2=NCCC3)cc1	299803406	OCKZMUIBGQIENY-GOSISDBHSA-N	243.374	3.380	5	30	BGBC	
Cc1cc(-c2cccc([N+](=O)[O-])c2)cc(C)n1	33506531	FTWIJYIVFAWSLZ-UHFFFAOYSA-N	228.251	3.274	5	30	BGBC	
Oc1ccc2c(O)cc3ccccc3c2c1	39097081	RLOFICMNIKWOKN-UHFFFAOYSA-N	210.232	3.404	5	30	BGBC	
CCCCOc1ccc([N+](=O)[O-])c(Cl)c1	44460310	ZODFFRWPRHUSMK-UHFFFAOYSA-N	229.663	3.427	5	30	BGBC	
O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3O2)s1	94375	AUNNRICJCRNCCH-NSHDSACASA-N	248.263	3.159	5	30	BGBC	
O=c1c2ccccc2sc2cccc(O)c12	38171550	OEZKDMYTQDZSAZ-UHFFFAOYSA-N	228.272	3.120	5	30	BGBC	
CC(C)c1ccc(Br)cc1[N+](=O)[O-]	118629239	WVCPCMHIQBPUHQ-UHFFFAOYSA-N	244.088	3.481	5	30	BGBC	
Cc1ccc(C(=O)c2ccccc2[N+](=O)[O-])cc1	80906	KAZUHIBFCUTDRV-UHFFFAOYSA-N	241.246	3.134	5	30	BGBC	
CCN1C=CC(c2ccc([N+](=O)[O-])cc2)C=C1	100264407	OCYDXKGUVOVHNN-UHFFFAOYSA-N	230.267	3.041	5	30	BGBC	
O=[N+]([O-])c1csc(C2Nc3ccccc3N2)c1	94379	IYYZJEZTHANPFQ-UHFFFAOYSA-N	247.279	3.193	5	30	BGBC	
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1F	117055937	IGABOSIUTLTMLJ-UHFFFAOYSA-N	243.543	3.406	5	30	BGBC	
CC(C)Oc1cccc([N+](=O)[O-])c1Cl	40435316	XVRNJDAHMXATSJ-UHFFFAOYSA-N	215.636	3.035	5	30	BGBC	
Cc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2	1851834	YHVBSCDYFOVQPZ-UHFFFAOYSA-N	225.247	3.474	5	30	BGBC	
Cc1cnc(/C=C/c2ccc([N+](=O)[O-])cc2)o1	223391697	RDOXWBUYSARMFQ-QPJJXVBHSA-N	230.223	3.062	5	30	BGBC	
CC(=O)c1ccc(SC(C)C)c([N+](=O)[O-])c1	164863	HJVLMMSDLXDLCF-UHFFFAOYSA-N	239.296	3.298	5	30	BGBC	
CCC(=O)c1cc(C(C)C)cc([N+](=O)[O-])c1O	2573994	NRRFFQMVCJGGJY-UHFFFAOYSA-N	237.255	3.017	5	30	BGBC	
Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1	75835	WRUVTYDQVPMYDZ-UHFFFAOYSA-N	237.306	3.290	5	30	BGBC	
C[C@@]12CC3CC([N+](=O)[O-])(C1)C[C@](C)(C3)C2	32202551	FUZZFPVZJGQAKD-WSVSKBAQSA-N	209.289	3.012	5	30	BGBC	
O=[N+]([O-])c1c(F)cccc1Nc1ccccc1	54269327	SCIYSKBYASCGGP-UHFFFAOYSA-N	232.214	3.478	5	30	BGBC	
Cc1cc2cccc([N+](=O)[O-])c2cc1C	21984362	MMSHZTSNVZLZSK-UHFFFAOYSA-N	201.225	3.365	5	30	BGBC	
Cc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1	8412107	LTTQCKCQFPRMSB-UHFFFAOYSA-N	229.239	3.042	5	30	BGBC	
CCc1cc(F)c([N+](=O)[O-])cc1Br	307150721	ARMUJPPSUPPQMZ-UHFFFAOYSA-N	248.051	3.059	5	30	BGBC	
Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1C	5510691	JHEZOWCIVSOCDZ-UHFFFAOYSA-N	244.250	3.399	5	30	BGBC	
CC(C)n1ccc2ccc([N+](=O)[O-])cc21	114184048	QQMTUIVXEAHQHJ-UHFFFAOYSA-N	204.229	3.130	5	30	BGBC	
O=[N+]([O-])c1cc(F)ccc1-c1ccccc1	22003730	JKWHEAGMVRSASJ-UHFFFAOYSA-N	217.199	3.401	5	30	BGBC	
Cc1ccc([C@H]2CC=CC[C@H]2[N+](=O)[O-])cc1	111515	VKSJENMJVUPEPF-CHWSQXEVSA-N	217.268	3.074	5	30	BGBC	
Nc1c2ccccc2c(N)c2ccccc12	34265501	NDMVXIYCFFFPLE-UHFFFAOYSA-N	208.264	3.157	5	30	BGBC	
c1ccc(C[N@@+]23CCCCCC2=NCCC3)cc1	299803407	OCKZMUIBGQIENY-SFHVURJKSA-N	243.374	3.380	5	30	BGBC	
O=[N+]([O-])c1ccc2c(c1)NC1(CCCCC1)N2	4361452	HZCDWBOTRLVMAZ-UHFFFAOYSA-N	233.271	3.093	5	30	BGBC	
C[C@@]1([N+](=O)[O-])O[C@H]1c1cccc(Cl)c1Cl	299805663	ZUKKYMPSYKINBM-DTWKUNHWSA-N	248.065	3.058	5	30	BGBC	
N#[N+]c1cccc2oc(=O)c3ccccc3c12	5935057	SRUWGBFNXIKQRU-UHFFFAOYSA-N	223.211	3.431	5	30	BGBC	
Cc1ccc([C@@H]2CC=CC[C@@H]2[N+](=O)[O-])cc1	111525	VKSJENMJVUPEPF-STQMWFEESA-N	217.268	3.074	5	30	BGBC	
O=[N+]([O-])c1cc(O)c2ccccc2c1Cl	1565503772	SEJWCWBFYAJSGJ-UHFFFAOYSA-N	223.615	3.107	5	30	BGBC	
C=Cc1cc([N+](=O)[O-])ccc1Br	575625039	VSPWRGUYJKYONH-UHFFFAOYSA-N	228.045	3.000	5	30	BGBC	
CCc1cc([N+](=O)[O-])c2ccccc2c1	39100669	CGYWBTUTXWZDSF-UHFFFAOYSA-N	201.225	3.310	5	30	BGBC	
CC(=O)Nc1ccc2cc3ccccc3nc2c1	5313786	AOFMKIDPLZIMSQ-UHFFFAOYSA-N	236.274	3.346	5	30	BGBC	
CSC(=C[N+](=O)[O-])Nc1cccc(Cl)c1	2265237903	VDSIYWBLVCMWIL-UHFFFAOYSA-N	244.703	3.191	5	30	BGBC	
Cc1[nH]c2ccc(Cl)cc2c1[N+](=O)[O-]	206038070	ZRNMXTUKGJFZBH-UHFFFAOYSA-N	210.620	3.038	5	30	BGBC	
O=[N+]([O-])c1c(Cl)c(F)cc(F)c1Cl	34557540	VGDZGWPMCGMBEO-UHFFFAOYSA-N	227.981	3.180	5	30	BGBC	
Cc1ccc([C@@H]2CC=CC[C@H]2[N+](=O)[O-])cc1	111518	VKSJENMJVUPEPF-QWHCGFSZSA-N	217.268	3.074	5	30	BGBC	
Cc1cnc2c([N+](=O)[O-])cccc2c1Cl	34146351	YRUFLKLHMSXDSQ-UHFFFAOYSA-N	222.631	3.105	5	30	BGBC	
O=[N+]([O-])c1ccc(Cl)nc1-c1ccccc1	83255493	IGMJZXTVWRCLKZ-UHFFFAOYSA-N	234.642	3.310	5	30	BGBC	in-vitro
O=[N+]([O-])c1cccc2nc3ccccc3cc12	39203009	DEEULBIVHZVMHX-UHFFFAOYSA-N	224.219	3.296	5	30	BGBC	
CN(C)c1ccc2cc3cc(N)ccc3nc2c1	5318216	WXORVJKMLQDWJL-UHFFFAOYSA-N	237.306	3.036	5	30	BGBC	
CCOc1ccc2nnc3ccccc3c2c1	32254386	ZCHOSNKUTRLXNT-UHFFFAOYSA-N	224.263	3.182	5	30	BGBC	
O=[N+]([O-])c1cccc([C@@H]2OCCCCS2)c1	39325886	BZWGZHJSXCJKOZ-LLVKDONJSA-N	239.296	3.137	5	30	BGBC	
CCc1cc(F)c([N+](=O)[O-])c(Br)c1	306299983	GFVNAYRTGOPOLV-UHFFFAOYSA-N	248.051	3.059	5	30	BGBC	
Cc1ccc(NC(=O)C2CCCC2)c([N+](=O)[O-])c1	6272366	JKUXKCAYDASGJZ-UHFFFAOYSA-N	248.282	3.032	5	30	BGBC	
CCn1c(=O)c2ccccc2c2ccccc21	96328606	XNMBMSJUVFSMIW-UHFFFAOYSA-N	223.275	3.175	5	30	BGBC	
O=[N+]([O-])c1cccc([C@H]2OCCCCS2)c1	39325887	BZWGZHJSXCJKOZ-NSHDSACASA-N	239.296	3.137	5	30	BGBC	
O=[N+]([O-])c1cccc(Cc2ccccc2)c1	32154712	CMTUCQNYLNHJRT-UHFFFAOYSA-N	213.236	3.186	5	30	BGBC	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3O2)s1	94371	AUNNRICJCRNCCH-LLVKDONJSA-N	248.263	3.159	5	30	BGBC	
O=[N+]([O-])c1ccc(Oc2ccccc2O)cc1	33506444	DWENVBLWYBNNSF-UHFFFAOYSA-N	231.207	3.093	5	30	BGBC	
Cc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1	2571661	MUUCOWULQJLJNZ-UHFFFAOYSA-N	241.246	3.134	5	30	BGBC	in-vitro
O=[N+]([O-])c1ccc(N2CCCCCCC2)cc1	4367263	IXEBRXZCPBVAQH-UHFFFAOYSA-N	234.299	3.365	5	30	BGBC	
c1ccc2c(c1)ncc1cc3c(cc12)OCO3	900861	RFILRSDHWIIIMN-UHFFFAOYSA-N	223.231	3.117	5	30	BGBC	biogenic,in-vitro
Cc1cc(Cl)c2cccc([N+](=O)[O-])c2n1	8549020	VJQVEHIJBHZXEV-UHFFFAOYSA-N	222.631	3.105	5	30	BGBC	in-vitro
Clc1nc2ncccc2c2ccccc12	91692410	DKUJCKVKOUSTPO-UHFFFAOYSA-N	214.655	3.436	5	30	BGBC	
C/C(=C\c1c(C)cc(C)cc1C)[N+](=O)[O-]	2244107	CILKZWLODIJOFN-YRNVUSSQSA-N	205.257	3.249	5	30	BGBC	
CSC(=C[N+](=O)[O-])Nc1ccc(Cl)cc1	2265233884	APLMSJFVMLWSPR-UHFFFAOYSA-N	244.703	3.191	5	30	BGBC	
C[C@@]1([N+](=O)[O-])O[C@@H]1c1cccc(Cl)c1Cl	299805665	ZUKKYMPSYKINBM-RKDXNWHRSA-N	248.065	3.058	5	30	BGBC	
Cc1ccc([N+](=O)[O-])c(C[Si](C)(C)C)c1	196310007	YMKILGAAQQSVQE-UHFFFAOYSA-N	223.348	3.323	5	30	BGBC	
CCc1cc(Cl)c2cc([N+](=O)[O-])ccc2n1	95218332	DVALUKKAYGDHNG-UHFFFAOYSA-N	236.658	3.359	5	30	BGBC	in-vitro
O=Cc1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	38526368	YVSXLBALKFXQRS-UHFFFAOYSA-N	248.282	3.152	5	30	BGBC	
O=[N+]([O-])c1ccc(Nc2cccc(Cl)c2)nc1	8418258	KVKTURKMPFGEJY-UHFFFAOYSA-N	249.657	3.387	5	30	BGBC	
Cc1c(C=O)cc(Cl)c(Cl)c1[N+](=O)[O-]	514279508	VJTZVNXLMYBOSY-UHFFFAOYSA-N	234.038	3.023	5	30	BGBC	
CC1(C)CC(C)(C)c2cc([N+](=O)[O-])c(O)cc21	33606318	IFMWQOBINNJAKV-UHFFFAOYSA-N	235.283	3.259	5	30	BGBC	
Cc1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-]	242750347	ZMUFIMGZZWWZOS-UHFFFAOYSA-N	223.125	3.061	5	30	BGBC	in-vitro
O=[N+]([O-])c1ccc(Sc2ccccc2)cc1O	35571898	FRTOEASNXKEWDT-UHFFFAOYSA-N	247.275	3.452	5	30	BGBC	
COc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	21999339	NUMQJEXQGBLYIU-UHFFFAOYSA-N	245.234	3.396	5	30	BGBC	
C/N=c1\ccc2cc3ccc(NC)cc3oc-2c1	31622516	AZJKFDJTOJCKAN-GHRIWEEISA-N	238.290	3.110	5	30	BGBC	in-vitro
CSc1ccc(Br)c([N+](=O)[O-])c1	148732335	AQEGPOZOEITDSL-UHFFFAOYSA-N	248.101	3.079	5	30	BGBC