smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H]1[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O	256010241	WZPBZJONDBGPKJ-IYSWYEEDSA-N	435.440	-1.173	30	30	IAEC	
C[S@](=O)CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	263636533	GMMLNKINDDUDCF-GMZPITTESA-N	437.514	-1.799	30	30	IAEC	
C[S@](=O)CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	263636534	GMMLNKINDDUDCF-JQDJKBNHSA-N	437.514	-1.799	30	30	IAEC	
Cn1cc(NC(=O)c2cc(NC(=N)CN=C(N)N)cn2C)cc1C(=O)NCCC(N)=O	31429805	DIQXDWAXZNQRKR-UHFFFAOYSA-N	430.473	-1.116	30	30	IAEC	
C[C@H](N[P@](=O)(O)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)C(=O)O	1857524114	IYHPTSNEWCZBDF-NIFWRESRSA-N	442.325	-1.669	30	30	IAEC	
C[C@@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O	256010242	WZPBZJONDBGPKJ-VDTYLAMSSA-N	435.440	-1.173	30	30	IAEC	
Nc1ncnc2c1nc(N/N=C1\C(=O)Nc3ccccc31)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	8636785	CZQYXDXWAHPIKV-VUUOMBDGSA-N	426.393	-1.212	30	30	IAEC	
O=S(=O)(O)O/N=C(\Cc1ccc(O)cc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4641394	WWBNBPSEKLOHJU-BXLHIMNRSA-N	425.437	-1.399	30	30	IAEC	biogenic,in-vitro
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O	27522274	YLWQKYSDNGHLAO-PWRINDRCSA-N	438.429	-1.000	30	30	IAEC	biogenic,in-vitro
C[S@@](=O)/C=C/CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4641390	ZFLXCZJBYSPSKU-OKGGYFAUSA-N	435.498	-1.675	30	30	IAEC	in-vitro
C[S@](=O)/C=C/CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4097577	ZFLXCZJBYSPSKU-QNUASISWSA-N	435.498	-1.675	30	30	IAEC	in-vitro
C[S@](=O)CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	263636532	GMMLNKINDDUDCF-CLIXSBDLSA-N	437.514	-1.799	30	30	IAEC	
C[S@](=O)CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	263636535	GMMLNKINDDUDCF-RPYPMTOQSA-N	437.514	-1.799	30	30	IAEC	
C[C@H]1[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O	256010240	WZPBZJONDBGPKJ-CAHLUQPWSA-N	435.440	-1.173	30	30	IAEC	
CS(=O)(=O)CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	13549482	OFKKQTQFWWIRBD-BZVDQRPCSA-N	439.486	-2.523	30	30	IAEC	biogenic,in-vitro