smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-]	104840109	PNEVRNLRPGLOIP-UHFFFAOYSA-N	225.113	-0.562	5	30	BBBC	
N[C@H](Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(=O)O	2522684	CSDZRIXBILAEBT-BDAKNGLRSA-N	240.215	-0.090	5	30	BBBC	
C=CC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-]	19327216	SVLVXRRQKCWWRO-UHFFFAOYSA-N	208.101	-0.108	5	30	BBBC	
CC(=O)[C@@H](C(=O)O)[C@H](O)C[N+](C)(C)C	64033614	VMSCFUHHMCRNMQ-HTQZYQBOSA-O	204.246	-0.657	5	30	BBBC	
O=C(Cn1ccnc1[N+](=O)[O-])NCCF	5975083	JDEQUZYNZXTLAX-UHFFFAOYSA-N	216.172	-0.123	5	30	BBBC	
O=C(O)c1c[nH]c(=O)c([N+](=O)[O-])c1O	4339082	QJWDJGWGMBFKGA-UHFFFAOYSA-N	200.106	-0.313	5	30	BBBC	
CC(=O)[C@@H](C(=O)O)[C@@H](O)C[N+](C)(C)C	64033617	VMSCFUHHMCRNMQ-JGVFFNPUSA-O	204.246	-0.657	5	30	BBBC	
COC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1[N+](=O)[O-]	299803473	SJSLFZDDHPPUTR-GBNDHIKLSA-N	201.178	-0.018	5	30	BBBC	
C=CC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]	19319349	BGPPMVLBKMPVQR-UHFFFAOYSA-N	204.138	-0.015	5	30	BBBC	
CCCC[N+](CCO)(CCO)CCO	33605935	PYBMKRAZAPWXOQ-UHFFFAOYSA-N	206.306	-0.420	5	30	BBBC	
CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	599202345	BMQUWJNDACCWAK-UHFFFAOYSA-N	220.210	-0.764	5	30	BBBC	
Cc1nc([N+](=O)[O-])cn1C[C@@H](O)CO	38293164	DKCGGPOLDHYRCJ-ZCFIWIBFSA-N	201.182	-0.547	5	30	BBBC	
NS(=O)(=O)c1cncc([N+](=O)[O-])c1	28769901	DGOADAPOUXCHCC-UHFFFAOYSA-N	203.179	-0.363	5	30	BBBC	in-vitro
COC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1[N+](=O)[O-]	299803474	SJSLFZDDHPPUTR-JWXFUTCRSA-N	201.178	-0.018	5	30	BBBC	
COC(=O)[C@@H]1[C@H]([N+](=O)[O-])[C@H]2CC[C@H]1O2	299803475	SJSLFZDDHPPUTR-MVIOUDGNSA-N	201.178	-0.018	5	30	BBBC	
Cn1cnc([N+](=O)[O-])c1S(C)(=O)=O	6146031	PARSHOLGHQRIIZ-UHFFFAOYSA-N	205.195	-0.268	5	30	BBBC	
OCC[N+](CCO)(CCO)Cc1ccccc1	5933681	ICKBRCHQAVDCOR-UHFFFAOYSA-N	240.323	-0.020	5	30	BBBC	
Cn1cnc([N+](=O)[O-])c1N1CCNCC1	12504987	YAZIOABODNUXKV-UHFFFAOYSA-N	211.225	-0.262	5	30	BBBC	
CC(=O)N[C@@H](CC(=O)O)C[N+](C)(C)C	5160354	UWNPJVFSZBPJQO-QMMMGPOBSA-O	203.262	-0.328	5	30	BBBC	
CC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C	64033613	VMSCFUHHMCRNMQ-SFYZADRCSA-O	204.246	-0.657	5	30	BBBC	
COC(=O)[C@H]1[C@H]([N+](=O)[O-])[C@H]2CC[C@H]1O2	299803472	SJSLFZDDHPPUTR-DBRKOABJSA-N	201.178	-0.018	5	30	BBBC	
O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@@]1(C(=O)O)[N+](=O)[O-]	223483756	QJZYHAIUNVAGQP-WWSLTDMBSA-N	227.172	-0.007	5	30	BBBC	
O=[N+]([O-])c1ncn(Cn2ncnc2[N+](=O)[O-])n1	85375422	NBKXNPYEKJVQLR-UHFFFAOYSA-N	240.139	-0.808	5	30	BBBC	
C=CC(=O)NCOC[C@H](O)C[N+](C)(C)C	33637038	GNCCNIQTPKRLPJ-SECBINFHSA-O	217.289	-0.670	5	30	BBBC	
Nc1cc([N+](=O)[O-])ccc1NC(CO)CO	44710194	NNVUKLWUEXAKSE-UHFFFAOYSA-N	227.220	-0.058	5	30	BBBC	
CC(=O)[C@H](C(=O)O)[C@@H](O)C[N+](C)(C)C	64033615	VMSCFUHHMCRNMQ-YUMQZZPRSA-O	204.246	-0.657	5	30	BBBC	
Cc1nc([N+](=O)[O-])cn1C[C@H](O)CO	38847290	DKCGGPOLDHYRCJ-LURJTMIESA-N	201.182	-0.547	5	30	BBBC	
Cn1cnc([N+](=O)[O-])c1SCC(N)=O	13209770	XOCKNIDKCQUYLP-UHFFFAOYSA-N	216.222	-0.094	5	30	BBBC	
CC(=O)N[C@H](CC(=O)O)C[N+](C)(C)C	5160437	UWNPJVFSZBPJQO-MRVPVSSYSA-O	203.262	-0.328	5	30	BBBC	
C=CC(=O)NCOC[C@@H](O)C[N+](C)(C)C	33637036	GNCCNIQTPKRLPJ-VIFPVBQESA-O	217.289	-0.670	5	30	BBBC