Natural Compounds

The taste of a selection of natural compounds was predicted using our taste prediction models. This dataset includes compounds that were predicted to either have a sweet (S) or bitter (B) taste. All of these compounds can be found in the Supernatural II Database and can be accessed through the Supernatural ID links.

Supernatural ID	SMILES	Taste	Confidence
SN00156077	C=Cc1ccccc1	B	0.970000029
SN00156078	Cc1ccccc1C	B	0.981999993
SN00156086	c1ccc(cc1)C1=C(C1=O)c1ccccc1	B	0.962000012
SN00156088	CC(=C)[C@@H]1[C@H]2[C@@H]3[C@@]4([C@]([C@@H]1C(=O)O2)(C[C@@H]1[C@]4(O1)C(=O)O3)O)C	B	0.984000027
SN00156106	C[C@H](C)CC(=O)C	B	0.977999985
SN00156111	CCCC=O	B	0.977999985
SN00156112	CCCCCCCC=O	B	0.970000029
SN00156115	CCCCCCCCCCO	B	0.958000004
SN00156118	CCCCCCCCCC(=O)C	B	0.987999976
SN00156121	CCSCC	B	0.953999996
SN00156122	CCCCCCCCCCCCO	B	0.958000004
SN00156123	CCCCCCCCCCCC=O	B	0.970000029
SN00156137	c1ccc(cc1)COC=O	B	0.994000018
SN00156142	C=Cc1cncc2c1CCOC2=O	B	0.981999993
SN00156150	CCCCCC[NH3+]	B	0.967999995
SN00156154	CCCCCC(=O)C	B	0.986000001
SN00156167	C/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CO)C)C)C)C	B	0.963999987
SN00156174	C[C@H](CC/C=C(\C)C)CC=O	B	0.991999984
SN00156175	C/C(=C\CC/C(=C/COC(=O)C)C)C	B	0.99000001
SN00156207	C[C@@H](CC/C=C(\C)C)CC=O	B	0.991999984
SN00156208	C[C@@H](CC/C=C(\C)C)CCO	B	0.966000021
SN00156211	CC(=O)C(=O)C	B	0.966000021
SN00156212	CCCCCCCCO	B	0.958000004
SN00156229	CCCCC[C@H](C=C)O	B	0.966000021
SN00156235	C[C@H](C)CC(=O)OC[C@H](C)C	B	0.970000029

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