smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])c([N+](=O)[O-])c1O	100170268	ZGEXBICQPGHLKE-UHFFFAOYSA-N	456.192	2.214	5	30	JEBC	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	575124444	BESTZLZNOJJNEZ-PTROGCMSSA-N	472.450	2.249	5	30	JEBC	in-vitro
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@H]12	100047891	AJAYYHYWTPEASL-WIYYLYMNSA-N	469.475	2.050	5	30	JEBC	
O=c1c2ccc3c(=O)n(CCc4ccccn4)c(=O)c4ccc(c(=O)n1CCc1ccccn1)c2c34	2265385779	TYJPQTHSUBXXLQ-UHFFFAOYSA-N	476.492	2.341	5	30	JEBC	
O=C(Cc1ccccc1)N[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@H]12	100047887	AJAYYHYWTPEASL-GHTZIAJQSA-N	469.475	2.050	5	30	JEBC	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	575124441	BESTZLZNOJJNEZ-GOMYTPFNSA-N	472.450	2.249	5	30	JEBC	in-vitro
CN(C[C@H]1COCCO1)S(=O)(=O)Nc1cccc2cc3ccc(-c4cnn(C)c4)nc3c(=O)cc12	223757332	YMOXGXXZZJRPFB-IBGZPJMESA-N	495.561	2.153	5	30	JEBC	
CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc([N+](=O)[O-])c1	12340841	SXRSJNLCCMUGPM-UHFFFAOYSA-N	462.513	2.251	5	30	JEBC	
NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12	238791447	VEJASPOHDYYWFW-INIZCTEOSA-N	464.523	2.406	5	30	JEBC	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H]2O[C@H](c3ccccc3)OC[C@@H]2O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	575124443	BESTZLZNOJJNEZ-PQBVEICXSA-N	472.450	2.249	5	30	JEBC	in-vitro
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	575124442	BESTZLZNOJJNEZ-NENAYYCWSA-N	472.450	2.249	5	30	JEBC	in-vitro
O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1	20412901	JXGSBZAGKZVDDT-OAQYLSRUSA-N	490.310	2.454	5	30	JEBC	
O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1	20412903	JXGSBZAGKZVDDT-NRFANRHFSA-N	490.310	2.454	5	30	JEBC