smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)C1=C(CSCCN)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	33902494	NCPRZAIJPGXTLB-QGZVFWFLSA-N	435.502	2.238	5	30	IEBC	
CCOC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	1037240	TUELUSFCKQBRTH-UHFFFAOYSA-N	435.458	2.409	5	30	IEBC	
COc1cc(OC)c(OC)cc1/C=C(\C1=NC(CO)(CO)CO1)c1ccc([N+](=O)[O-])cc1	141688079	VCFONJUVIHEJNT-IUXPMGMMSA-N	444.440	2.313	5	30	IEBC	
Cn1c(=O)c2c3oc(-c4ccc([N+](=O)[O-])cc4)nc3c(=O)n(-c3ccccc3)c2n(C)c1=O	1036979	JWYGUOCUSQDBDX-UHFFFAOYSA-N	445.391	2.105	5	30	IEBC	
CCOC(=O)C1=C(CSCCN)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	33902493	NCPRZAIJPGXTLB-KRWDZBQOSA-N	435.502	2.238	5	30	IEBC	
Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)no1	8626486	JALBTXLTQLOQCA-UHFFFAOYSA-N	438.443	2.493	5	30	IEBC	
O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1	6156849	MBHZJIZFCDJPSA-AWEZNQCLSA-N	434.348	2.468	5	30	IEBC	
NC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	13543888	HEAHCFJXSKVWFQ-KRWDZBQOSA-N	429.433	2.277	5	30	IEBC	in-vitro
CCOC(=O)c1cnn(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C(F)(F)F)c1N	1027811	DUOXRUNUARSQEB-UHFFFAOYSA-N	438.322	2.443	5	30	IEBC	
O=C(O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1	6156850	MBHZJIZFCDJPSA-CQSZACIVSA-N	434.348	2.468	5	30	IEBC	
C[C@H](CN(CCCCO)C(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	2242137800	OVNQMDHGFGOWFN-CQSZACIVSA-N	431.511	2.271	5	30	IEBC	
C[N+](C)(CCO)C(=O)CCc1ccc(-c2ccc(CCC(=O)[N+](C)(C)CCO)cc2)cc1	31274185	MFWPFSSBWWROIW-UHFFFAOYSA-N	442.600	2.409	5	30	IEBC	
Cc1nn(Cc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c(C)c1[N+](=O)[O-]	12367043	GMTWNVFZSOTTCT-UHFFFAOYSA-N	431.434	2.468	5	30	IEBC	
Cc1c(C(=O)Cn2nnc(N3CCOCC3)n2)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]	3126798	QJIITWOBSBYOMZ-UHFFFAOYSA-N	447.452	2.123	5	30	IEBC	
O=S(=O)(O)c1ccc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c34	38637543	DULBQOZFLSFGJE-UHFFFAOYSA-N	442.448	2.324	5	30	IEBC