smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H]1OC(C)=O	38231636	RHQVDBUKWZSUQM-TWMKSMIVSA-N	397.336	1.125	5	30	GDBC	
C[C@@H]1COc2c(N3CC[N+](C)([O-])CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	22065452	MVLAUMUQGRQERL-SNVBAGLBSA-N	377.372	1.557	5	30	GDBC	in-vitro
C[N+](C)(C)CCOC(=O)NCCCCCCNC(=O)OCC[N+](C)(C)C	4216469	MBWXZXUOKTXXBU-UHFFFAOYSA-P	376.542	1.412	5	30	GDBC	in-man
O=[N+]([O-])c1ccc(O[C@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@H](O)[C@H]2O)cc1	77311792	BGBDVEKOBCWPHZ-QMROVXIMSA-N	389.360	1.535	5	30	GDBC	in-vitro
Cn1c(=O)c2c3nc4cc(Cl)cc(Cl)c4cc3c(=O)n(C)c2n(C)c1=O	1036995	UGGPYJJSDQEZFE-UHFFFAOYSA-N	391.214	1.944	5	30	GDBC	
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H](O)[C@H]2O)cc1	90614646	BGBDVEKOBCWPHZ-MJJLTSLDSA-N	389.360	1.535	5	30	GDBC	
O=[N+]([O-])c1ccc(O[C@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H](O)[C@@H]2O)cc1	35645636	BGBDVEKOBCWPHZ-ATNRFADISA-N	389.360	1.535	5	30	GDBC	
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1nc(C)cc(C)n1	1023894	MHCUQNNBFJXUCP-UHFFFAOYSA-N	375.341	1.981	5	30	GDBC	
CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c([N+](=O)[O-])cc1OC	33606904	AHGRUFWMUYBFSG-LBPRGKRZSA-N	399.469	1.611	5	30	GDBC	
O=C(O)[C@H]1O[C@@H](Oc2ccc3ccc4cccc5ccc2c3c45)[C@H](O)[C@@H](O)[C@@H]1O	77300941	BUCREAQPYGLZLI-SXFAUFNYSA-N	394.379	1.855	5	30	GDBC	in-man
O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3CO)CC2)c(CO)c1	4336356	NECKQRGDKQXPQD-UHFFFAOYSA-N	388.380	1.814	5	30	GDBC	
O=[N+]([O-])c1ccc(O[C@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@H](O)[C@H]2O)cc1	77311790	BGBDVEKOBCWPHZ-UPGMHYFXSA-N	389.360	1.535	5	30	GDBC	in-vitro
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3COC4(CCCCC4)O[C@H]3[C@H](O)[C@@H]2O)cc1	44021677	ISZQEKQIBZZACU-NQNKBUKLSA-N	381.381	1.496	5	30	GDBC	in-vitro
COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SCC(N)=O)cc1[N+](=O)[O-]	8397765	XQUIWHSINICZJU-UHFFFAOYSA-N	381.370	1.642	5	30	GDBC	
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@H](O)[C@H]2O)cc1	77311787	BGBDVEKOBCWPHZ-MGYGNFHQSA-N	389.360	1.535	5	30	GDBC	in-vitro
COc1ccc(COC(=O)[C@@H](N)C(C)(C)O)c2nc3cccc(C(=O)O)c3nc12	14455258	SFUOAUKIPVZJLK-QGZVFWFLSA-N	399.403	1.631	5	30	GDBC	biogenic
O=[N+]([O-])c1ccc(O[C@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H](O)[C@H]2O)cc1	90614669	BGBDVEKOBCWPHZ-LHIBYTEYSA-N	389.360	1.535	5	30	GDBC	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NN(C)c1ccc([N+](=O)[O-])cn1	12369548	UXQYOOZRTIDDIJ-UHFFFAOYSA-N	384.370	1.316	5	30	GDBC	
O=[N+]([O-])c1ccc(O[C@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@H](O)[C@@H]2O)cc1	22064834	BGBDVEKOBCWPHZ-RRQVMCLOSA-N	389.360	1.535	5	30	GDBC	in-vitro
CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c([N+](=O)[O-])cc1OC	33606902	AHGRUFWMUYBFSG-GFCCVEGCSA-N	399.469	1.611	5	30	GDBC	
NC(=O)c1ccc2[nH]c3cc4c(=O)c5cc(C(N)=O)ccc5[nH]c4cc3c(=O)c2c1	5117259	ATZRWFMBPNCDIO-UHFFFAOYSA-N	398.378	1.874	5	30	GDBC	
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@H](O)[C@@H]2O)cc1	6344673	BGBDVEKOBCWPHZ-ZBLLQYKHSA-N	389.360	1.535	5	30	GDBC	
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H](O)[C@@H]2O)cc1	575228690	BGBDVEKOBCWPHZ-BPCAWRKVSA-N	389.360	1.535	5	30	GDBC	
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@H](O)[C@H]2O)cc1	77311789	BGBDVEKOBCWPHZ-VEAXJEOVSA-N	389.360	1.535	5	30	GDBC	in-vitro
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H]1OC(C)=O	77311847	RSBQRDKQQIICFV-TWMKSMIVSA-N	397.336	1.125	5	30	GDBC	in-vitro
O=[N+]([O-])c1ccc(O[C@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@H](O)[C@@H]2O)cc1	39937345	BGBDVEKOBCWPHZ-QKDSSNGWSA-N	389.360	1.535	5	30	GDBC	in-vitro
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1nc(C)nc(C)n1	8626762	IJJARNNPOSVFNR-UHFFFAOYSA-N	376.329	1.376	5	30	GDBC