smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	2556991	HOFCJTOUEGMYBT-UNTFVMJOSA-N	211.170	-3.301	5	30	BABC	
Cn1c(N)nc(OC(=N)N)c([N+](=O)[O-])c1=O	39111080	XBCZNZYRHJHQIG-UHFFFAOYSA-N	228.168	-1.457	5	30	BABC	
NC(=O)c1ncn2c(=O)c([N+](=O)[O-])n[nH]c12	100069550	UPMXYTFKFBVAEM-UHFFFAOYSA-N	224.136	-1.575	5	30	BABC	
Cn1cc([N+](=O)[O-])c(S(N)(=O)=O)n1	231673248	HMYYHMZZTBYYQP-UHFFFAOYSA-N	206.183	-1.024	5	30	BABC	in-vitro
N[C@@H]1NC(=O)[C@@H]2N[C@H]([N+](=O)[O-])N[C@H]2N1	2265381409	TYJDJWNIBIHYIJ-JBZYRFAHSA-N	202.174	-3.604	5	30	BABC	
O=[N+]([O-])C[C@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O	34566478	MICFHHMRMDLORS-ZFYZTMLRSA-N	223.181	-2.895	5	30	BABC	
C[C@@H]1O[C@H](C[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O	34597311	VKASWJUVZZNJIX-CQOGJGKDSA-N	207.182	-1.867	5	30	BABC	
N[C@@H]1NC(=O)[C@@H]2N[C@@H]([N+](=O)[O-])N[C@@H]2N1	2265381410	TYJDJWNIBIHYIJ-RFRSXQRBSA-N	202.174	-3.604	5	30	BABC	
O=[N+]([O-])C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	202110233	CNILFIXWGGSLAQ-CQOGJGKDSA-N	223.181	-2.895	5	30	BABC	
O=[N+]([O-])C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	44168841	CNILFIXWGGSLAQ-MLKOFDEISA-N	223.181	-2.895	5	30	BABC	
C[C@@H]1O[C@H](C[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O	95921479	VKASWJUVZZNJIX-MLKOFDEISA-N	207.182	-1.867	5	30	BABC	
CN(C)C=c1sc(=C[N+](=O)[O-])n(C)c1=O	254404405	SGMRRGAMFDAEIK-UHFFFAOYSA-N	229.261	-1.239	5	30	BABC	
N[C@@H]1NC(=O)[C@@H]2N[C@H]([N+](=O)[O-])N[C@@H]2N1	2265381408	TYJDJWNIBIHYIJ-CWAVBMPTSA-N	202.174	-3.604	5	30	BABC	
N[C@@H]1NC(=O)[C@@H]2N[C@@H]([N+](=O)[O-])N[C@H]2N1	2265381411	TYJDJWNIBIHYIJ-VMTLSVDXSA-N	202.174	-3.604	5	30	BABC