smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@@H]([C@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	1046179	XSEYTKPCVQSNGO-KBPBESRZSA-N	392.412	0.871	5	30	GCBC	
CN(C(=O)COC(=O)C=Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	2265287758	URVRJYLSUVXWBC-CQSZACIVSA-N	382.394	0.797	5	30	GCBC	
O=C(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1I	1036800	IKYFAWBZZWUCCY-UHFFFAOYSA-N	386.123	0.562	5	30	GCBC	
CO[C@H](C)CCn1c(=N)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O	33986633	PLCUNNRCOLFNTM-SECBINFHSA-N	392.415	0.973	5	30	GCBC	
C[C@H](O)C[N+](C)(CCCCCC[N+](C)(C[C@@H](C)O)C[C@@H](C)O)C[C@H](C)O	256072330	IEFGZMSVVDEGAQ-XLLXOSNRSA-N	378.598	0.963	5	30	GCBC	
Cn1c(=O)c2c3oc(-c4ccc([N+](=O)[O-])cc4)nc3c(=O)n(C)c2n(C)c1=O	1036987	LZVNSJGFBDPKNF-UHFFFAOYSA-N	383.320	0.652	5	30	GCBC	
C[C@H](O)C[N+](C)(CCCCCC[N@+](C)(C[C@H](C)O)C[C@@H](C)O)C[C@H](C)O	256072331	IEFGZMSVVDEGAQ-YIUJWAEMSA-N	378.598	0.963	5	30	GCBC	
O=C(O)CCC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	15722017	VZJOBHXJPRQCGO-ZDUSSCGKSA-N	392.368	0.505	5	30	GCBC	in-vitro
C[C@H](O)C[N@+](C)(CCCCCC[N@+](C)(C[C@H](C)O)C[C@@H](C)O)C[C@@H](C)O	256072328	IEFGZMSVVDEGAQ-OBHIHTNZSA-N	378.598	0.963	5	30	GCBC	
CN(C(=O)COC(=O)C=Cc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	2265287757	URVRJYLSUVXWBC-AWEZNQCLSA-N	382.394	0.797	5	30	GCBC	
CC[C@H]([C@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	1046180	XSEYTKPCVQSNGO-KGLIPLIRSA-N	392.412	0.871	5	30	GCBC	
CCOCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O	5114858	XWSOHSMPVBUXMC-UHFFFAOYSA-N	393.399	0.855	5	30	GCBC	
CO[C@@H](C)CCn1c(=N)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O	33986632	PLCUNNRCOLFNTM-VIFPVBQESA-N	392.415	0.973	5	30	GCBC	
COCc1nc2c(OC)c3c(=O)n(C)c(COC)nc3c(OC)c2c(=O)n1C	38426319	VDTGBENZKXRGPG-UHFFFAOYSA-N	390.396	0.490	5	30	GCBC	
C[C@H](O)C[N+](C)(CCCCCC[N+](C)(C[C@H](C)O)C[C@H](C)O)C[C@H](C)O	256072326	IEFGZMSVVDEGAQ-MUGJNUQGSA-N	378.598	0.963	5	30	GCBC	
CC[C@H]([C@@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	1046178	XSEYTKPCVQSNGO-ZIAGYGMSSA-N	392.412	0.871	5	30	GCBC	
CC[C@@H]([C@@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	1046177	XSEYTKPCVQSNGO-UONOGXRCSA-N	392.412	0.871	5	30	GCBC	
CCOCCn1c(=N)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O	5424388	WYZSBSMGZHFJJH-UHFFFAOYSA-N	378.388	0.584	5	30	GCBC