smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12	4098544	MYWLBRTZOYHDOU-FJMCMGCSSA-N	422.342	-0.758	5	50	HBBA	biogenic,in-vitro
Cc1c([N+](=O)[O-])cnn1CCC(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1	2802185	XSZPNNZRNIGEMW-UHFFFAOYSA-N	411.444	-0.244	5	50	HBBA	
CN(CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCS(=O)(=O)C1	170637426	OKMHLUNHHWFUHZ-MRXNPFEDSA-N	424.479	-0.002	5	50	HBBA	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1	12428863	HFVZHSUUXKFRIJ-UHFFFAOYSA-N	420.469	-0.522	5	50	HBBA	
Cn1c(=O)[nH]c(=O)c2c1nc(NCCO)n2C[C@H](O)COc1ccc([N+](=O)[O-])cc1	8892323	IJWFDLHYUOLMLP-NSHDSACASA-N	420.382	-0.824	5	50	HBBA	
O=c1c2cc(O)ccc2oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12	6567525	JUZGXATTXYZBGK-HBVDJMOISA-N	406.343	-0.422	5	50	HBBA	biogenic,in-vitro
NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	469304407	QQZDFVQLBZHOLA-UHFFFAOYSA-N	412.877	-0.157	5	50	HBBA	
CN(CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCS(=O)(=O)C1	170637428	OKMHLUNHHWFUHZ-INIZCTEOSA-N	424.479	-0.002	5	50	HBBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1	1126106	FYKYPOUXRJCOIA-UHFFFAOYSA-N	420.469	-0.522	5	50	HBBA	
Cn1c(=O)[nH]c(=O)c2c1nc(NCCO)n2C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	8892256	IJWFDLHYUOLMLP-LLVKDONJSA-N	420.382	-0.824	5	50	HBBA	
CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN(CCO)CCO)c2cc1CC	1589442	WGTYXAXOQRKOSK-UHFFFAOYSA-N	401.467	-0.004	5	50	HBBA