smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Nc1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1[N+](=O)[O-]	299849659	PIJZZYSBXADVEM-YBXAARCKSA-N	315.282	-1.611	5	1	DABF	
O=C(O)[C@H]1O[C@H](n2cc([N+](=O)[O-])c(=O)[nH]c2=O)[C@H](O)[C@@H]1O	17353490	DUBUXQUVDJJEBA-RULRNXASSA-N	303.183	-2.851	5	1	DABF	
CO[C@@H]1O[C@H](Cn2cc([N+](=O)[O-])nc2C)[C@@H](O)[C@@H](O)[C@@H]1O	31899445	KXJFFDBLAAAJLX-MBSJRHIBSA-N	303.271	-1.446	5	1	DABF	
O=C(O)[C@H]1O[C@@H](n2cc([N+](=O)[O-])c(=O)[nH]c2=O)[C@H](O)[C@@H]1O	32024642	DUBUXQUVDJJEBA-RASXUPOOSA-N	303.183	-2.851	5	1	DABF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](C[N+](C)(C)CCO)O2)c(=O)[nH]c1=O	27078747	ZNRULIDBENLERG-UTUOFQBUSA-O	314.362	-1.438	5	1	DABF	
Nc1nc(NCCOCP(=O)(O)O)c([N+](=O)[O-])c(=O)[nH]1	17220371	UWRDMNZJYKGWRP-UHFFFAOYSA-N	309.175	-1.176	5	1	DABF	
CO[C@H]1O[C@H](Cn2cc([N+](=O)[O-])nc2C)[C@@H](O)[C@@H](O)[C@@H]1O	31899449	KXJFFDBLAAAJLX-WJOQGRNVSA-N	303.271	-1.446	5	1	DABF	
O=c1[nH]c(NC[C@H](O)[C@@H](O)[C@H](O)CO)c([N+](=O)[O-])c(=O)[nH]1	12504180	KSKGHNZSCSCHEQ-MRKVFDINSA-N	306.231	-3.542	5	1	DABF	in-vivo
O=C(O)[C@@H](O)[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H]1O	49792499	WMHFUVVAXQQRBM-WSOSLHDDSA-N	315.234	-1.134	5	1	DABF	
CO[C@@H]1O[C@H](Cn2cc([N+](=O)[O-])nc2C)[C@H](O)[C@H](O)[C@H]1O	299814503	KXJFFDBLAAAJLX-JZFGAJAUSA-N	303.271	-1.446	5	1	DABF	
O=C(O)[C@@H](O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H]1O	49792500	WMHFUVVAXQQRBM-ZXUATJPGSA-N	315.234	-1.134	5	1	DABF	
Cc1c([N+](=O)[O-])c(C(N)=O)nn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	31997956	BBZMBBLLWFGQLR-GUJHRGIASA-N	302.243	-2.190	5	1	DABF	
Cc1ncc([N+](=O)[O-])n1CCNCc1no[n+]([O-])c1C(N)=O	40864542	WQNUIMIYRHAUNU-UHFFFAOYSA-N	311.258	-1.390	5	1	DABF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](C[N+](C)(C)CCO)O2)c(=O)[nH]c1=O	27078760	ZNRULIDBENLERG-TUAOUCFPSA-O	314.362	-1.438	5	1	DABF	
O=C(O)[C@H](O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H]1O	49792502	WMHFUVVAXQQRBM-APWOSFEXSA-N	315.234	-1.134	5	1	DABF	
N[C@@H](CSCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)C(=O)O	142832130	SKPHVUHPUBXVOO-YFKPBYRVSA-N	308.272	-1.777	5	1	DABF	
Cn1ccnc1S(=O)(=O)NCCn1cnc([N+](=O)[O-])n1	84689771	NYNQCFFBRTVGNL-UHFFFAOYSA-N	301.288	-1.102	5	1	DABF	
Nc1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1[N+](=O)[O-]	299849651	PIJZZYSBXADVEM-CSYMLDBXSA-N	315.282	-1.611	5	1	DABF	
N[C@@H](Cn1cc([N+](=O)[O-])c(=O)n(CCC(=O)O)c1=O)C(=O)O	13677284	USLMBZUHALNLAG-YFKPBYRVSA-N	316.226	-2.195	5	1	DABF	
O=c1[nH]c(NC[C@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c(=O)[nH]1	12504178	KSKGHNZSCSCHEQ-RPDRRWSUSA-N	306.231	-3.542	5	1	DABF	in-vivo
CNS(=O)(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1	5722979	UHHZTHNHQGGOQT-UHFFFAOYSA-N	310.313	-1.158	5	1	DABF	
Cc1c([N+](=O)[O-])c(C(N)=O)nn1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49785162	BBZMBBLLWFGQLR-SXZLJYSZSA-N	302.243	-2.190	5	1	DABF	
Nc1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)ccc1[N+](=O)[O-]	299849657	PIJZZYSBXADVEM-WTPMCQDGSA-N	315.282	-1.611	5	1	DABF	
CO[C@@H]1O[C@H](Cn2cc([N+](=O)[O-])nc2C)[C@H](O)[C@H](O)[C@@H]1O	5544008	KXJFFDBLAAAJLX-VQFQEQAESA-N	303.271	-1.446	5	1	DABF	
CO[C@@H]1O[C@@H](Cn2cc([N+](=O)[O-])nc2C)[C@@H](O)[C@@H](O)[C@@H]1O	31899439	KXJFFDBLAAAJLX-GDWDKGMLSA-N	303.271	-1.446	5	1	DABF	
Cc1cn([C@@H]2C[C@H](O)[C@H](C[N+](C)(C)CCO)O2)c(=O)[nH]c1=O	40477110	ZNRULIDBENLERG-SRVKXCTJSA-O	314.362	-1.438	5	1	DABF	
NNCC(=O)c1cc(C(=O)CNN)c([N+](=O)[O-])cc1[N+](=O)[O-]	2356840841	PAUAXPSAQQBGRX-UHFFFAOYSA-N	312.242	-1.205	5	1	DABF	
Cc1cn([C@@H]2C[C@@H](O)[C@H](C[N+](C)(C)CCO)O2)c(=O)[nH]c1=O	21478	ZNRULIDBENLERG-WOPDTQHZSA-O	314.362	-1.438	5	1	DABF	
O=C(O)[C@H](O)[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H]1O	49792501	WMHFUVVAXQQRBM-SANCVJEGSA-N	315.234	-1.134	5	1	DABF	
Cc1cn([C@H]2C[C@H](O)[C@@H](C[N+](C)(C)CCO)O2)c(=O)[nH]c1=O	3842436	ZNRULIDBENLERG-QJPTWQEYSA-O	314.362	-1.438	5	1	DABF	
CO[C@@H]1O[C@H](Cn2cc([N+](=O)[O-])nc2C)[C@H](O)[C@@H](O)[C@H]1O	299814504	KXJFFDBLAAAJLX-RMJBVJBCSA-N	303.271	-1.446	5	1	DABF	
CO[C@@H]1O[C@H](Cn2cc([N+](=O)[O-])nc2C)[C@H](O)[C@@H](O)[C@@H]1O	299814502	KXJFFDBLAAAJLX-BEKOTUFOSA-N	303.271	-1.446	5	1	DABF	
Nc1cc([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49110884	PUPNADBYINJVTB-MGUDNFKCSA-N	311.254	-1.467	5	1	DABF	
Nc1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)ccc1[N+](=O)[O-]	299849654	PIJZZYSBXADVEM-IYKVGLELSA-N	315.282	-1.611	5	1	DABF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](C[N+](C)(C)CCO)O2)c(=O)[nH]c1=O	27078754	ZNRULIDBENLERG-IJLUTSLNSA-O	314.362	-1.438	5	1	DABF	
CO[C@H]1O[C@@H](Cn2cc([N+](=O)[O-])nc2C)[C@@H](O)[C@@H](O)[C@@H]1O	31899442	KXJFFDBLAAAJLX-JBCXHSKOSA-N	303.271	-1.446	5	1	DABF