smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)N[C@@H](C=O)[C@@H](O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)CO	95921440	YDWJUIXDZSJZHH-ULDPZZKMSA-N	367.351	-4.383	30	30	FAEC	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](/C=N/N=C(N)N)OC(C)=O	8647941	IUXFUGCWDXBJLS-BADNSJQPSA-N	374.350	-1.396	30	30	FAEC	
C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	575190643	PHZOWSSBXJXFOR-SLWPWXHYSA-N	359.378	-1.772	30	30	FAEC	biogenic
C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	575190641	PHZOWSSBXJXFOR-JHEGOGQQSA-N	359.378	-1.772	30	30	FAEC	biogenic
C[S@@](=O)CCCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	77291212	UYHMVWFYYZIVOP-SASATNNQSA-N	357.450	-1.144	30	30	FAEC	
CC(=O)N[C@H]1[C@@H](NOC(=O)Nc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O	16051868	BBEBTBDOQNIYPZ-KSTCHIGDSA-N	355.347	-1.317	30	30	FAEC	
CC(=O)N[C@H]1[C@H](NOC(=O)Nc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O	16051869	BBEBTBDOQNIYPZ-DHGKCCLASA-N	355.347	-1.317	30	30	FAEC	
C=C[C@](C)(CC[C@@H](O)C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	31160527	BWEHDKNACKAKFC-FQSQWYRASA-N	350.408	-1.340	30	30	FAEC	biogenic,in-vitro
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@]21O	96029525	HEYZWPRKKUGDCR-UGCOABDASA-N	374.342	-2.477	30	30	FAEC	
C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	101956855	PHZOWSSBXJXFOR-QBXKMHDASA-N	359.378	-1.772	30	30	FAEC	biogenic
C=C[C@@](C)(CC[C@@H](O)C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	31160519	BWEHDKNACKAKFC-IWVDPLHQSA-N	350.408	-1.340	30	30	FAEC	
CO/N=C(\C(=O)N[C@@H]1C(=O)N(OCC(=O)O)[C@H]1C)c1csc(N)n1	4217227	FJKOYBHMMTVFHK-TWYJFGHKSA-N	357.348	-1.193	30	30	FAEC	in-man
N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	1857524159	ZBHOHJWLOOFLMW-LTGWCKQJSA-N	371.246	-1.740	30	30	FAEC	
CS(=O)(=O)CCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	223672431	NJAZNTCGMMUWBT-BZVDQRPCSA-N	359.422	-1.868	30	30	FAEC	
NCCC(=O)NCC(=O)N(c1ccccc1)C(C(=O)O)([N+](=O)[O-])[N+](=O)[O-]	223482465	GKQOMFAMOUXARD-UHFFFAOYSA-N	369.290	-1.224	30	30	FAEC	
CC(=O)N[C@H](C=O)[C@@H](O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)CO	95921439	YDWJUIXDZSJZHH-AFLLFGMRSA-N	367.351	-4.383	30	30	FAEC	
C=C[C@](C)(CC[C@H](O)C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	31160523	BWEHDKNACKAKFC-NBGILSABSA-N	350.408	-1.340	30	30	FAEC	biogenic,in-vitro
C=C[C@@](C)(CC[C@H](O)C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	31160515	BWEHDKNACKAKFC-YECZKKJWSA-N	350.408	-1.340	30	30	FAEC	
CCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	103823282	LOMLQPJYXUWYEH-LVQVYYBASA-N	364.483	-1.121	30	30	FAEC	
C[S@](=O)CCCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	77291214	UYHMVWFYYZIVOP-QSTLJORTSA-N	357.450	-1.144	30	30	FAEC	
CS(=O)(=O)OCCC(=O)NCCNC(=O)CCOS(C)(=O)=O	105063229	NIQIVJFGLNOOMX-UHFFFAOYSA-N	360.410	-2.049	30	30	FAEC	
C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	201996753	PHZOWSSBXJXFOR-ZGJSOBIZSA-N	359.378	-1.772	30	30	FAEC	biogenic
C=C[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@]21O	96029523	HEYZWPRKKUGDCR-LIHNQRLTSA-N	374.342	-2.477	30	30	FAEC