smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	95495850	CNILFIXWGGSLAQ-PJEQPVAWSA-N	223.181	-2.895	5	50	BABA	in-vitro
O=C1N=c2ccc([N+](=O)[O-])cc2=NC1=O	6567243	MWYQQZLHLYIGHV-UHFFFAOYSA-N	205.129	-1.099	5	50	BABA	
C[N+](C)(C)C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	216186206	AKBIDZFJECEDFQ-KZVJFYERSA-N	224.277	-2.872	5	50	BABA	
O=[N+]([O-])C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	2545125	HOFCJTOUEGMYBT-BXKVDMCESA-N	211.170	-3.301	5	50	BABA	
C1C[N+]2(CCN1)CC[N+]1(CCNCC1)CC2	254821	RAWPYHHZGFGCCM-UHFFFAOYSA-N	226.368	-1.160	5	50	BABA	
O=[N+]([O-])[C@H]1[C@H](O)[C@H](O)[C@@H]([N+](=O)[O-])[C@@H](O)[C@@H]1O	247335099	QGRCHCXTJJGBKG-SCCKRLBHSA-N	238.152	-3.266	5	50	BABA	
O=[N+]([O-])C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4283884	HOFCJTOUEGMYBT-BGPJRJDNSA-N	211.170	-3.301	5	50	BABA	
C[N+](C)(C)[C@@H]1[C@@H](O)O[C@H]2[C@@H](O)CO[C@H]21	39940	JWGSLHUUFGFOCS-LJASKYJCSA-N	204.246	-1.462	5	50	BABA	
C[N+](C)(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	25624980	AKBIDZFJECEDFQ-JBDRJPRFSA-N	224.277	-2.872	5	50	BABA	
Nc1nc(NCCO)c([N+](=O)[O-])c(=O)[nH]1	4085846	DWVWFCGZWXPWFF-UHFFFAOYSA-N	215.169	-1.336	5	50	BABA	
O=[N+]([O-])C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	12405194	HOFCJTOUEGMYBT-OMMKOOBNSA-N	211.170	-3.301	5	50	BABA	
O=[N+]([O-])C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	2571407	HOFCJTOUEGMYBT-KVTDHHQDSA-N	211.170	-3.301	5	50	BABA	
Cc1nn2c(=C(O)O)c(C)n[n+]2c1[N+](=O)[O-]	6824824	CPJVXJNTTITMFT-UHFFFAOYSA-O	226.172	-1.260	5	50	BABA	
O=[N+]([O-])C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	2545124	HOFCJTOUEGMYBT-SLPGGIOYSA-N	211.170	-3.301	5	50	BABA	
C[N+](C)(C)[C@H]1[C@@H]2OC[C@H](O)[C@@H]2O[C@H]1O	25625444	JWGSLHUUFGFOCS-VCQFTWBDSA-N	204.246	-1.462	5	50	BABA	
O=C(Cn1cnc([N+](=O)[O-])n1)NCCO	1572708	CGPOHMMXMBLSOS-UHFFFAOYSA-N	215.169	-1.705	5	50	BABA	
C[N+](C)(C)[C@@H]1[C@@H](O)O[C@@H]2[C@@H](O)CO[C@@H]12	6253922	JWGSLHUUFGFOCS-PQFOHKHZSA-N	204.246	-1.462	5	50	BABA	
O=[N+]([O-])C12CNCC([N+](=O)[O-])(CNC1)C2	2272476	YHIDNDRTGFAMFL-UHFFFAOYSA-N	216.197	-1.386	5	50	BABA	
NCCNC(=O)Cn1cc([N+](=O)[O-])cn1	2537895	BTHGLZZLEALEDO-UHFFFAOYSA-N	213.197	-1.134	5	50	BABA	in-vitro
O=[N+]([O-])C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	12405195	HOFCJTOUEGMYBT-FSIIMWSLSA-N	211.170	-3.301	5	50	BABA	
C[N+](C)(C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4566614	AKBIDZFJECEDFQ-UYXSQOIJSA-N	224.277	-2.872	5	50	BABA	
Cn1c(N)c([N+](=O)[O-])c(=O)n(C)c1=O	3958019	IAAUBQWOEHOUOJ-UHFFFAOYSA-N	200.154	-1.426	5	50	BABA	in-vitro
C[N+](C)(C)[C@H]1[C@@H]2OC[C@H](O)[C@H]2O[C@H]1O	6253923	JWGSLHUUFGFOCS-VRGHQRLXSA-N	204.246	-1.462	5	50	BABA	
Cn1c(O)c([N+](C)(C)C)c(=O)n(C)c1=O	4834509	BZJFSTWSOSSAKU-UHFFFAOYSA-O	214.245	-1.014	5	50	BABA	
O=C(O)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	4261830	OPGJGRWULGFTOS-UHFFFAOYSA-N	201.094	-1.330	5	50	BABA	in-vitro
Nc1ncnc(N(CCO)CCO)c1[N+](=O)[O-]	4224505	XOARNJDGWGLNMR-UHFFFAOYSA-N	243.223	-1.242	5	50	BABA	
O=[N+]([O-])[C@H]1[C@H](O)[C@@H](O)[C@@H]([N+](=O)[O-])[C@H](O)[C@@H]1O	247335091	QGRCHCXTJJGBKG-ACEPYNLWSA-N	238.152	-3.266	5	50	BABA	
C[N+](C)(C)C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	216186168	AKBIDZFJECEDFQ-XSPKLOCKSA-N	224.277	-2.872	5	50	BABA	
O=[N+]([O-])[C@H]1[C@H](O)[C@H](O)[C@@H]([N+](=O)[O-])[C@H](O)[C@@H]1O	247335110	QGRCHCXTJJGBKG-XBQGMCBBSA-N	238.152	-3.266	5	50	BABA