VirtualTaste

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
SN00118128	CSc1nc2ccccc2c(=O)n1c1ccccc1	B	0.959999979
SN00118141	CC[C@@H](c1ccccc1)NC(=O)c1ccccc1	B	0.966000021
SN00118142	CC[C@H](c1ccccc1)NC(=O)c1ccccc1	B	0.966000021
SN00118145	c1ccc(cc1)Cn1c(=O)c2ccccc2nc1[S-]	B	0.963999987
SN00118158	Cc1cc(=O)n2cccc(c2n1)O	B	0.977999985
SN00118175	C[NH+](C)CCOC(=O)c1ccccc1	B	0.967999995
SN00118273	CNC(=O)c1ccccc1	B	0.966000021
SN00118276	c1ccc2c(c1)c(c(c(=O)o2)C=O)N	B	0.959999979
SN00118278	CCNc1c2ccccc2oc(=O)c1C=O	B	0.966000021
SN00118288	CCOC(=O)c1c(c(c(n1C)C)C(=O)C)C	B	0.970000029
SN00118336	c1ccc(cc1)c1nnc(nn1)c1ccccc1	B	0.973999977
SN00118363	c1ccc(cc1)C(=O)Nc1cccnc1Cl	B	0.958000004
SN00118383	C[C@@](C)(C)NC(=O)[C@@](F)(F)F	B	0.977999985
SN00118384	Cc1ccccc1NN1C(=O)C=CC1=O	B	0.959999979
SN00118420	Cc1ccccc1c1cc2ccccc2c(=O)o1	B	0.953999996
SN00118433	c1cc(ccc1Br)Br	B	0.963999987
SN00118436	C[C@H]([C@@](c1ccccc1)(c1ccccc1)O)O	B	0.958000004
SN00118442	c1ccc(cc1)C[S@](=O)(=O)Cc1ccccc1	B	0.962000012
SN00118451	Cc1cc(c(c(c1C)C)C)C(=O)[O-]	B	0.958000004
SN00118459	Cc1cc(c(c(c1C)C)C(=O)OC)C	B	0.952000022
SN00118460	Cc1c(c(c(c(c1C)C)C(=O)[O-])C)C	B	0.963999987
SN00118461	Cc1cc(c(c(c1C)C)C(=O)[O-])C	B	0.959999979
SN00118476	Cc1c(c(c(c(c1C)Br)C)Br)C	B	0.953999996
SN00118499	Cc1c(c(=O)n(n1C)c1ccccc1)Br	B	0.972000003
SN00118511	C[C@@H](Cc1ccccc1)C(=O)[O-]	B	0.966000021

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