smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[N+](C)(C)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	40429790	AECDELJRRICHOX-UYXSQOIJSA-N	206.262	-1.826	5	1	BABF	
Nc1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-]	5812187	OJMWWLBHDZZSMF-UHFFFAOYSA-N	223.148	-1.008	5	1	BABF	
CC[N+](C)(C)[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	103171608	PZDPDTJFVYGBQP-VVULQXIFSA-N	236.288	-2.117	5	1	BABF	
O=[N+]([O-])c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1	28949389	VWZSFCBEPDJYOU-KVTDHHQDSA-N	246.179	-2.202	5	1	BABF	
NC(=O)c1nc([N+](=O)[O-])cn1CCO	1857602249	QFZCUSNZHLUNGS-UHFFFAOYSA-N	200.154	-1.118	5	1	BABF	
C[N+](C)(C)[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	35495801	SYZAECJPHGGBMC-JGKVKWKGSA-N	222.261	-2.508	5	1	BABF	in-vitro
O=[N+]([O-])C(F)(COC[C@H](O)CO)[N+](=O)[O-]	19319323	YPTBUFOESBNEOF-SCSAIBSYSA-N	228.132	-1.467	5	1	BABF	
NNCc1cc(O)n2nc(N)c([N+](=O)[O-])c2n1	28368525	BCHOJQOXPBEWQU-UHFFFAOYSA-N	239.195	-1.111	5	1	BABF	
C[N+](C)(C)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	31520208	XJJVSXNWONDQRZ-QMGXLNLGSA-N	222.261	-2.508	5	1	BABF	in-vitro
CC[N+](C)(C)[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	103171604	PZDPDTJFVYGBQP-IGORNWKESA-N	236.288	-2.117	5	1	BABF	
O=c1[nH]c2cc([N+](=O)[O-])c[n+]([O-])c2[nH]c1=O	13766186	IHMWCMJBIBMQNT-UHFFFAOYSA-N	224.132	-1.242	5	1	BABF	
O=[N+]([O-])c1nccn1C[C@@H](O)CNCCO	1584212	QTQYNIHOQCATOC-ZETCQYMHSA-N	230.224	-1.266	5	1	BABF	
O=[N+]([O-])c1nccn1C[C@H](O)CNCCO	5117608	QTQYNIHOQCATOC-SSDOTTSWSA-N	230.224	-1.266	5	1	BABF	
O=[N+]([O-])C(F)(COC[C@@H](O)CO)[N+](=O)[O-]	19327933	YPTBUFOESBNEOF-BYPYZUCNSA-N	228.132	-1.467	5	1	BABF	
NS(=O)(=O)NCCn1ccnc1[N+](=O)[O-]	103290188	QBYDXIGCRLBJTJ-UHFFFAOYSA-N	235.225	-1.416	5	1	BABF	
NC(=O)Cn1ccn2cc([N+](=O)[O-])nc2c1=O	1857553063	RGBUYBCOBSWYEZ-UHFFFAOYSA-N	237.175	-1.111	5	1	BABF