smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[N+]1(CCS(=O)(=O)CCS(=O)(=O)CC[N+]2(C)CCOCC2)CCOCC1	4831639	LRURXTMXOFNRLO-UHFFFAOYSA-N	414.590	-1.230	5	50	HABA	
O=C(O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1	43277601	KWWNDIKPXGRBBN-UHFFFAOYSA-N	409.355	-1.253	5	50	HABA	
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	239302849	FQZUBSBSVVDWLO-YJPORDMESA-N	406.392	-3.550	5	50	HABA	
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N(C)C	35653106	IGQLDUYTWDABFK-GUTXKFCHSA-N	405.411	-1.966	5	50	HABA	biogenic,in-vitro
CCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2C[C@H](O)[C@H](O)[C@H](O)CO	43763774	FAUZVCPGHSRNCP-SCRDCRAPSA-N	410.814	-1.125	5	50	HABA	
CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1Cl	43763773	YJDBQBUHLDNPPK-SCRDCRAPSA-N	410.814	-1.125	5	50	HABA	
CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1CC	4430517	TZVMOPMDLUJXPI-LZWOXQAQSA-N	404.423	-1.216	5	50	HABA	
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	239302848	FQZUBSBSVVDWLO-LBUIGKIFSA-N	406.392	-3.550	5	50	HABA	
NS(=O)(=O)CCOCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	242087998	WAZMISUJECMUDO-UHFFFAOYSA-N	411.414	-1.051	5	50	HABA	
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	19332144	FQZUBSBSVVDWLO-VBZWQPIMSA-N	406.392	-3.550	5	50	HABA	
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	19330114	FQZUBSBSVVDWLO-WAFDDFHDSA-N	406.392	-3.550	5	50	HABA