smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(NC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1c(Cl)cccc1Cl	20413307	NUIREWNEXMCXOS-UHFFFAOYSA-N	424.244	2.969	5	30	HFBC	
COc1c(OC)c2oc(=O)c3c(OC)c(OC)c(OC)c4oc(=O)c(c1OC)c2c43	13408537	FAZNROHBAXUCGR-UHFFFAOYSA-N	418.354	2.542	5	30	HFBC	
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N=S(C)C)cc1[N+](=O)[O-]	31490353	LKVOXDJKFRBRQV-UHFFFAOYSA-N	406.486	2.880	5	30	HFBC	
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccccc1	1046229	KVQSHTJCPXGDCZ-UHFFFAOYSA-N	404.425	2.655	5	30	HFBC	
CCc1ccc2nc3c(cc2c1)c(=O)n(-c1ccccc1)c1c3c(=O)n(C)c(=O)n1C	1042205	KRVBIJNWBWCZRY-UHFFFAOYSA-N	412.449	2.652	5	30	HFBC	
O=[N+]([O-])c1ccc(N2CCCN(C(=S)Nc3ccc4c(c3)OCO4)CC2)nc1	20406016	DGKKIZZQHSPZOD-UHFFFAOYSA-N	401.448	2.628	5	30	HFBC	
Cn1c(=O)c2c3nc4cc(Cl)ccc4cc3c(=O)n(-c3ccccc3)c2n(C)c1=O	1044358	YCGNDZJBTLWMFK-UHFFFAOYSA-N	418.840	2.743	5	30	HFBC	
COC(=O)[C@@H]1C[N+]2(CCCCCC[N+]34CCC(CC3)[C@H](C(=O)OC)C4)CCC1CC2	33878878	KMUSJXJWIINCCL-HEUCHTCWSA-N	422.610	2.606	5	30	HFBC	
CN(C)CC[C@@H](CSc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	34636420	GVJKLSTZIFMTKH-AWEZNQCLSA-N	424.548	2.767	5	30	HFBC	
Cn1c(=O)c2c3nc4ccc(Cl)cc4cc3c(=O)n(-c3ccccc3)c2n(C)c1=O	1036829	YEVWZIPWNMLWCR-UHFFFAOYSA-N	418.840	2.743	5	30	HFBC	
CCOC(=O)C(=CNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC	100254224	LSAFGRDXROUAKJ-UHFFFAOYSA-N	419.356	2.625	5	30	HFBC	
COC(=O)c1cnc(Sc2nnc(O)n2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1	12370012	UGOMMOPLEBCJQY-UHFFFAOYSA-N	407.795	2.867	5	30	HFBC	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)nc1	20413291	CPWQGKCFXDDYNP-UHFFFAOYSA-N	417.274	2.808	5	30	HFBC	
COC(=O)[C@H]1C[N+]2(CCCCCC[N+]34CCC(CC3)[C@@H](C(=O)OC)C4)CCC1CC2	33878880	KMUSJXJWIINCCL-YJLDSBCASA-N	422.610	2.606	5	30	HFBC	
COC(=O)[C@@H]1C[N+]2(CCCCCC[N+]34CCC(CC3)[C@@H](C(=O)OC)C4)CCC1CC2	33878879	KMUSJXJWIINCCL-IMLHGEDXSA-N	422.610	2.606	5	30	HFBC	
COc1cccc(OC)c1OC(=O)NC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC	1023882	YTDMAZXDSKLSKH-UHFFFAOYSA-N	406.347	2.558	5	30	HFBC	
O=C(NC(=O)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)NN1CCOCC1	1047328	JXKOLLCJQTXGQU-UHFFFAOYSA-N	420.809	2.727	5	30	HFBC	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc1	20413328	QXTPOTBRHJAMGS-UHFFFAOYSA-N	417.274	2.808	5	30	HFBC