smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(OC)c(OC)cc1[N+](=O)[O-]	31319621	DEVHMZKJIJMPBI-UHFFFAOYSA-N	434.445	2.973	5	30	IFBC	
Cc1nn(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)c(C)c1[N+](=O)[O-]	1038228	JTYUYCDGZBIZJV-UHFFFAOYSA-N	435.897	2.969	5	30	IFBC	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)OC(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-]	22047021	IVTRFZZAHBRCGQ-LJQANCHMSA-N	446.456	2.888	5	30	IFBC	in-vitro
CN(C[C@@H](N)c1cc(F)cc(Br)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	2048485871	NHJBFLCNQSTBQK-CYBMUJFWSA-N	432.271	2.817	5	30	IFBC	
O=C(NC(=S)NN1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	1047387	BHIDUJNLLMFGBX-UHFFFAOYSA-N	436.877	2.892	5	30	IFBC	
O=C1c2ccccc2C(=O)N1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	20458399	AFAPDROAVNKERT-UHFFFAOYSA-N	434.374	2.989	5	30	IFBC	
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@+]1(C)[O-]	247936198	HFGDOEGDRDVXPX-YZZKKUAISA-N	429.425	2.894	5	30	IFBC	
CS(=O)(=O)c1ccc2c(c1)[C@@H](N1CC[N+]([O-])(CCCO)CC1)Cc1ccccc1S2	33868663	INGAJZASMHHHIH-FQEVSTJZSA-N	448.610	2.851	5	30	IFBC	
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@+]1(C)[O-]	247936195	HFGDOEGDRDVXPX-IXFSTUDKSA-N	429.425	2.894	5	30	IFBC	
CS(=O)(=O)c1ccc2c(c1)[C@H](N1CC[N+]([O-])(CCCO)CC1)Cc1ccccc1S2	33868662	INGAJZASMHHHIH-HXUWFJFHSA-N	448.610	2.851	5	30	IFBC	
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCC[N+]1([O-])CCOCC1)C(=O)OC2	22064268	MNDAMCFHWPXNAW-SYZQJQIISA-N	449.500	2.537	5	30	IFBC	in-vitro
CCOC(=O)[C@H](Cc1cc([N+](=O)[O-])c(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1)NC(C)=O	3119041	DLPBXXBCYRROAB-INIZCTEOSA-N	447.400	2.914	5	30	IFBC	
Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc([N+](=O)[O-])cc3)CC1)CCS2	2391894	MPXBNTFAQJIGSM-UHFFFAOYSA-N	428.514	2.703	5	30	IFBC	
O=[N+]([O-])c1ccc(OCc2noc(CSc3nnc(O)n3Cc3ccco3)n2)cc1	12340630	WVQMBVOWTNCUFB-UHFFFAOYSA-N	430.402	2.788	5	30	IFBC	
O=c1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[nH]n1-c1cc(Cl)c(S(=O)(=O)O)cc1Cl	111489131	AEFOAYVJIITQFQ-UHFFFAOYSA-N	449.184	2.689	5	30	IFBC	
Cc1nn(Cc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)c(C)c1[N+](=O)[O-]	1038231	BLOCOTIUXUVHGM-UHFFFAOYSA-N	435.897	2.969	5	30	IFBC	
CCOC(=O)[C@@H](Cc1cc([N+](=O)[O-])c(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1)NC(C)=O	3119040	DLPBXXBCYRROAB-MRXNPFEDSA-N	447.400	2.914	5	30	IFBC	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)OC(C)=O)[C@H]1c1ccccc1[N+](=O)[O-]	22047026	IVTRFZZAHBRCGQ-IBGZPJMESA-N	446.456	2.888	5	30	IFBC	in-vitro