smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COC(=O)c2ccccc2)[C@@H](O)[C@H]1OC(=O)c1ccccc1	575228724	PGMLFNAQJLVCQA-MHSGGUFMSA-N	550.520	2.647	5	30	KFBC	
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@@H]1OC(=O)c1ccccc1	100053096	PGMLFNAQJLVCQA-ZJNQJMOLSA-N	550.520	2.647	5	30	KFBC	
COc1c(C[C@@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(=O)c4cc(O)c5c(c6c(c(O)cc(c1=O)c26)OCO5)c43	1566936	QSDSSSQWVNLFIG-GHMZBOCLSA-N	534.517	2.899	5	30	KFBC	biogenic
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cc3c(cc2[N+](=O)[O-])OCCOCCOCCOCCOCCO3)c([N+](=O)[O-])c1	105738661	FAUKOFGGYQDNKF-UHFFFAOYSA-N	583.463	2.901	5	30	KFBC	
CC(=O)OC[C@H]1O[C@H](Oc2ccc(COC(=O)N3CCN(c4ccccc4)CC3)cc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	536553477	KKITWTOWVCRQHI-NBCLCUQJSA-N	687.655	2.516	5	30	KFBC	
Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)Oc3ccc([N+](=O)[O-])cc3)[C@@H](CO[P@@](=O)(O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O	77319496	YNMZEEPJZVRFEA-XUVXKRRUSA-N	644.379	2.710	5	30	KFBC	in-vitro
COc1c(C[C@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(=O)c4cc(O)c5c(c6c(c(O)cc(c1=O)c26)OCO5)c43	1566935	QSDSSSQWVNLFIG-PHIMTYICSA-N	534.517	2.899	5	30	KFBC	biogenic
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(COC(=O)N3CCN(c4ccccc4)CC3)cc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	536553467	KKITWTOWVCRQHI-GGEKVXJASA-N	687.655	2.516	5	30	KFBC	
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COC(=O)c2ccccc2)[C@@H](O)[C@@H]1OC(=O)c1ccccc1	97973253	PGMLFNAQJLVCQA-QLZFCUCYSA-N	550.520	2.647	5	30	KFBC	
COc1c(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(=O)c4cc(O)c5c(c6c(c(O)cc(c1=O)c26)OCO5)c43	1566937	QSDSSSQWVNLFIG-QWRGUYRKSA-N	534.517	2.899	5	30	KFBC	biogenic
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H]1OC(=O)c1ccccc1	575228723	PGMLFNAQJLVCQA-MCGNWXOFSA-N	550.520	2.647	5	30	KFBC	
O=[N+]([O-])c1ccc(CCOc2nc(OCCc3ccc([N+](=O)[O-])cc3)c3ncn([C@H]4C[C@H](O)[C@@H](CO)O4)c3n2)cc1	238791492	HEBMQTRBNWXSGT-BHDDXSALSA-N	566.527	2.526	5	30	KFBC	
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@@H]1OC(=O)c1ccccc1	77311737	PGMLFNAQJLVCQA-JWJHGQTKSA-N	550.520	2.647	5	30	KFBC	in-vitro