Compound  BtOBP  Cruzain  TcAChE  BaNadD  DrPLA2  EcAspTA
1GT3  1ME3  6G1U  3HFJ  1FV0  2Q7W
(E)-Anethole  −90.2  −73.3  −96.8  −112.9  −85.3  −88.1
allo-Aromadendrene  −85.0  −70.6  −92.8  −105.8  −87.8  −79.6
Artemiseole  −84.8  −74.2  −84.2  −90.6  −68.0  −71.7
(R)-Artemisia alcohol  −88.4  −68.3  −89.5  −94.8  −80.7  −81.5
(S)-Artemisia alcohol  −86.1  −74.0  −94.8  −101.4  −82.5  −81.4
Artemisia ketone  −93.1  −77.3  −91.5  −107.9  −87.8  −80.6
Ascaridole  −79.7  −54.4  −72.1  −79.7  −75.0  −65.3
Benzyl benzoate  −105.0  −82.8  −115.8  −128.1  −97.3  −89.9
(Z)-trans-α-Bergamotol  −1 00.7  −73.6  −107.0  −94.2  −92.6  −85.8
Bicyclogermacrene  −97.5  −82.4  −95.6  −105.5  −89.7  −89.0
Bicyclosesquiphellandrene  −92.2  −52.5  −91.2  −110.7  −88.4  −75.7
α-Bisabolol oxide A  −94.7  −66.1  −102.8  −102.6  −77.1  −82.7
α-Bisabolol oxide B  −104.6  −90.4  −107.0  −121.9  −94.2  −89.8
Bisabolone oxide A  −100.1  −71.9  −96.8  −84.7  −81.2  −86.7
(+)-Borneol  −72.5  −51.0  −72.0  −47.8  −61.4  −62.5
(-)-Borneol  −78.3  −53.1  −70.8  −49.0  −63.3  −56.2
(+)-iso-Borneol  −73.7  −55.6  −74.6  −31.0  −60.9  −59.7
(-)-iso-Borneol  −73.2  −55.3  −77.7  −52.6  −51.0  −57.4
α-Bulnesene  −93.4  −89.3  −109.3  −115.7  −94.4  −95.3
δ-Cadinene  −79.5  −86.8  −105.1  −116.8  −94.8  −82.3
Τ-Cadinol  −87.8  −71.8  −117.7  −121.7  −86.0  −87.0
(R)-Calamene  −80.3  −84.4  −116.5  −120.4  −91.3  −87.7
(S)-Calamene  −80.1  −82.5  −116.2  −121.8  −93.0  −88.3
(+)-Camphene  −79.0  −62.1  −77.0  −75.9  −69.3  −67.5
(-)-Camphene  −77.7  −62.8  −75.2  −77.4  −71.3  −70.6
(+)-Camphor  −76.0  −57.0  −75.0  −49.0  −53.5  −54.1
(-)-Camphor  −80.0  −54.1  −74.4  −52.9  −61.2  −56.4
(+)-δ-3-Carene  −80.4  −64.2  −80.6  −88.0  −71.8  −72.5
(-)-δ-3-Carene  −82.0  −68.9  −84.4  −90.2  −72.8  −72.9
Carvacrol  −82.4  −77.7  −94.8  −106.7  −81.6  −87.5
Carvacrol methyl ether  −85.6  −79.3  −96.6  −111.5  −84.2  −93.6
(+)-cis-Carveol  −89.1  −77.3  −96.9  −109.4  −81.3  −87.6
(-)-cis-Carveol  −89.0  −82.1  −95.5  −109.0  −83.2  −89.4
(R)-Carvone  −86.0  −80.7  −94.6  −109.9  −83.5  −91.5
(S)-Carvone  −88.0  −77.2  −94.1  −105.9  −82.8  −87.2
(E)-Caryophyllene  −87.3  −60.4  −88.1  −87.3  −87.4  −78.6
Caryophyllene oxide  −95.1  −73.1  −90.1  −97.0  −83.8  −77.8
Cedrol  −87.7  −63.1  −96.4  −84.4  −86.3  −70.9
epi-Cedrol  −84.0  −59.7  −83.3  −86.7  −80.0  −76.2
Chamazulene  −95.2  −89.2  −123.0  −132.1  −98.9  −101.6
(-)-cis-Chrystanthyl acetate  −85.8  −63.7  −89.8  −73.8  −76.5  −71.5
(-)-trans-Chrysanthenyl acetate  −80.9  −69.7  −82.4  −78.5  −76.5  −68.6
1,8-Cineole  −69.3  −51.1  −73.2  −54.4  −49.4  −47.3
(E)-Cinnamaldehyde  −87.7  −77.6  −98.2  −110.1  −85.7  −89.5
(E)-Cinnamyl acetate  −95.9  −88.2  −107.4  −132.5  −94.6  −103.1
(R)-Citronellal  −98.1  −90.5  −109.3  −120.7  −88.3  −105.7
(S)-Citronellal  −95.0  −89.7  −108.5  −123.3  −86.9  −104.1
(R)-Citronellol  −91.0  −90.0  −108.2  −122.4  −88.6  −107.7
(S)-Citronellol  −92.5  −91.9  −108.5  −122.0  −90.3  −100.3
(R)-Citronellyl formate  −98.0  −93.5  −118.7  −129.5  −87.5  −108.5
(S)-Citronellyl formate  −99.7  −95.1  −111.2  −135.6  −91.5  −94.8
α-Copaene  −88.9  −69.9  −84.6  −78.7  −81.7  −61.9
Costunolide  −106.8  −87.5  −116.7  −120.1  −100.3  −89.1
(R)-Cryptone  −74.9  −68.1  −92.2  −100.0  −78.5  −80.8
(S)-Cryptone  −79.0  −68.5  −91.6  −100.7  −82.7  −79.6
β-Cubebene  −99.8  −67.2  −106.9  −112.2  −93.9  −94.8
Cuminaldehyde  −84.9  −79.1  −95.3  −109.1  −90.1  −89.5
ar-Curcumene  −98.1  −87.5  −116.0  −125.7  −94.1  −95.3
Curcumol  −90.1  −67.6  −100.4  −88.0  −87.6  −81.5
Curdione  −96.4  −75.1  −99.3  −116.3  −91.0  −78.7
Curzerene  −96.4  −80.3  −109.4  −89.7  −91.1  −86.4
m-Cymene  −78.9  −73.1  −96.1  −99.1  −76.6  −88.0
o-Cymene  −77.0  −61.9  −89.8  −97.8  −76.2  −77.2
p-Cymene  −82.8  −73.2  −91.3  −96.8  −80.9  −84.3
(E)-β-Damascenone  −90.1  −80.5  −100.7  −105.4  −88.9  −80.0
(2E,4E)-Decadienal  −96.4  −87.0  −110.4  −129.7  −95.8  −114.8
Dodecanal  −95.8  −83.7  −110.3  −127.3  −89.2  −108.9
Eremanthin  −80.1  −87.9  −121.3  −132.4  −98.7  −91.8
β-Eudesmol  −95.2  −76.1  −98.6  −114.1  −85.3  −87.1
γ-Eudesmol  −94.9  −78.2  −106.1  −105.2  −89.7  −89.1
Eugenol  −90.4  −82.4  −103.9  −119.3  −87.3  −98.8
Eugenol methyl ether  −93.6  −78.1  −106.3  −116.8  −89.3  −94.4
Eugenyl acetate  −94.9  −83.4  −109.2  −126.1  −100.1  −104.6
(E,E)-α-Farnesene  −115.5  −103.7  −129.8  −131.8  −101.2  −111.4
(E)-β-Farnesene  −112.1  −103.2  −122.7  −131.8  −105.3  −108.6
(E,E)-Farnesol  −116.8  −96.2  −133.0  −135.6  −100.5  −109.0
(+)-Fenchone  −78.4  −60.5  −79.5  −79.8  −62.4  −69.9
(-)-Fenchone  −80.3  −61.5  −81.0  −84.2  −65.5  −60.7
Flavesone  −87.1  −56.0  −88.6  −92.1  −85.2  −80.3
Geranial  −96.5  −94.9  −111.7  −119.3  −92.1  −101.5
Geraniol  −95.5  −93.6  −109.7  −118.0  −94.3  −107.3
Geranyl formate  −100.2  −89.7  −115.4  −128.3  −94.8  −114.1
Germacrene D  −102.4  −88.8  −109.9  −116.5  −93.7  −90.0
Germacrone  −92.4  −68.3  −94.5  −102.9  −88.3  −80.0
Guiaol  −100.8  −88.5  −113.3  −107.5  −92.6  −94.0
α-Gurjunene  −80.6  −61.6  −84.6  −100.0  −83.6  −78.1
β-Gurjunene  −89.3  −38.8  −80.3  11.3  −77.6  −71.1
α-Himachalene  −89.2  −67.9  −83.9  −96.3  −87.6  −73.4
β-Himachalene  −81.9  −65.4  −96.1  −110.8  −91.4  −76.8
Himachalol  −91.5  −64.1  −81.2  −24.7  −81.7  −66.3
α-Humulene  −94.0  −80.0  −89.9  −113.6  −89.2  −82.5
Leptospermone  −89.6  −64.0  −92.2  −102.7  −88.8  −80.7
iso-Leptospermone  −92.8  −63.0  −90.1  −99.4  −86.2  −78.2
(R)-Limonene  −86.2  −75.7  −92.4  −99.6  −81.7  −86.8
(S)-Limonene  −84.9  −77.6  −93.4  −99.8  −83.3  −87.3
(R,S,R)-Limonene oxide  −87.1  −76.0  −93.2  −110.7  −84.9  −86.3
(S,R,R)-Limonene oxide  −84.6  −68.8  −85.0  −84.3  −76.2  −69.8
(S,R,S)-Limonene oxide  −91.2  −73.8  −97.4  −93.6  −85.1  −87.9
(R)-Linalool  −95.5  −89.9  −116.6  −112.4  −90.3  −89.9
(S)-Linalool  −93.0  −88.9  −110.1  −111.9  −91.0  −95.7
(R)-Linalyl acetate  −96.9  −87.1  −107.1  −112.5  −87.1  −95.2
(S)-Linalyl acetate  −100.0  −90.5  −110.2  −114.3  −86.6  −87.1
p-Mentha-1(7),8-diene  −83.3  −74.4  −93.6  −100.0  −82.9  −84.9
(+)-Menthol  −86.1  −66.4  −98.6  −106.1  −79.2  −90.8
(-)-Menthol  −81.0  −68.9  −97.5  −106.3  −80.5  −89.7
Menthone  −82.4  −72.0  −92.6  −98.2  −82.8  −83.5
iso-Menthone  −79.9  −64.8  −88.2  −102.4  −75.1  −82.0
α-Muurolene  −91.2  −79.9  −95.6  −113.7  −90.0  −82.8
(+)-γ-Muurolene  −85.2  −77.0  −98.7  −113.9  −93.2  −78.7
(-)-γ-Muurolene  −83.1  −83.4  −96.9  −106.3  −82.9  −80.5
Myrcene  −90.4  −88.8  −109.0  −112.7  −90.3  −101.1
Neral  −95.1  −94.1  −111.1  −122.8  −90.9  −105.4
(E)-Nerolidol  −111.5  −101.8  −131.9  −131.3  −99.6  −110.5
(E)-β-Ocimene  −91.8  −89.4  −104.6  −116.4  −89.0  −97.0
(Z)-β-Ocimene  −89.7  −90.6  −106.8  −112.1  −90.3  −94.4
Octanal  −85.8  −79.8  −97.6  −112.0  −85.7  −102.7
(R)-2-Octen-3-ol  −84.3  −81.5  −106.9  −107.1  −83.3  −101.1
(S)-1-Octen-3-ol  −84.5  −82.4  −108.4  −105.9  −85.0  −99.5
3-Octanone  −84.2  −82.5  −102.6  −111.6  −82.9  −101.8
Patchouli alcohol  −75.1  −41.4  −71.1  100.1  −10.1  −49.2
(R)-Phellandral  −92.3  −79.3  −97.4  −108.1  −88.9  −89.5
(S)-Phellandral  −92.9  −79.9  −96.1  −109.2  −88.9  −88.8
(R)-α-Phellandrene  −84.0  −69.7  −94.7  −100.8  −82.4  −83.8
(S)-α-Phellandrene  −84.3  −69.6  −93.5  −99.4  −82.6  −80.6
(R)-β-Phellandrene  −82.2  −69.9  −93.5  −102.0  −80.6  −84.1
(S)-β-Phellandrene  −83.8  −69.0  −93.2  −100.5  −80.2  −81.2
Phytol  −112.8  −93.8  −132.4  −134.7  −102.4  −112.9
Phytone  −117.8  −92.1  −124.5  −131.1  −99.7  −107.2
(+)-α-Pinene  −74.2  −58.0  −73.4  −62.4  −62.5  −54.4
(-)-α-Pinene  −72.8  −58.3  −70.4  −64.6  −61.7  −57.2
(+)-β-Pinene  −70.9  −57.8  −74.0  −64.1  −60.9  −55.5
(-)-β-Pinene  −73.5  −58.4  −73.1  −65.0  −63.7  −57.0
(+)-Pinocamphone  −76.5  −58.2  −73.6  −53.1  −55.4  −63.6
(-)-Pinocamphone  −76.6  −66.1  −76.5  −65.9  −72.3  −62.7
(+)-iso-Pinocamphone  −75.3  −59.0  −76.6  −54.0  −59.1  −58.1
(-)-iso-Pinocamphone  −76.2  −59.6  −76.7  −56.4  −65.8  −56.2
(+)-cis-Pinocarveol  −75.7  −58.2  −75.2  −51.7  −57.5  −58.1
(-)-cis-Pinocarveol  −75.7  −63.9  −73.5  −52.5  −66.3  −54.5
(+)-trans-Pinocarveol  −77.5  −60.6  −76.5  −71.1  −63.9  −61.4
(-)-trans-Pinocarveol  −72.4  −58.6  −77.2  −71.4  −56.3  −62.6
(+)-Piperitone oxide  −88.5  −70.5  −100.5  −104.2  −80.4  −78.0
(-)-Piperitone oxide  −86.0  −73.6  −99.6  −104.5  −80.7  −83.8
(-)-iso-Pulegol  −85.1  −72.0  −93.5  −106.7  −83.5  −93.8
(R)-Pulegone  −81.8  −69.9  −90.3  −103.9  −78.4  −74.4
(S)-Pulegone  −79.7  −69.6  −89.3  −99.9  −81.5  −76.4
Rotundifolone  −86.1  −72.1  −96.1  −100.0  −82.4  −72.1
(+)-Sabinene  −87.9  −66.6  −84.5  −92.1  −80.5  −78.2
(-)-Sabinene  −79.7  −68.4  −91.4  −96.0  −80.8  −75.8
cis-Sabinene hydrate  −88.1  −70.2  −84.5  −91.1  −72.3  −68.1
(Z)-α-Santalol  −108.5  −85.6  −113.4  −106.8  −96.8  −90.7
(E)-β-Santalol  −105.0  −90.2  −110.6  −113.3  −94.3  −94.0
(Z)-β-Santalol  −108.0  −85.3  −110.4  −110.9  −96.5  −92.6
β-Sesquiphellandrene  −103.9  −92.2  −116.6  −127.5  −99.4  −98.3
Spathulenol  −95.9  −94.8  −97.7  −102.8  −84.3  −102.2
(Z)-Spiroether  −112.8  −85.5  −124.3  −136.1  −101.5  −102.9
γ-Terpinene  −84.3  −74.9  −93.4  −98.7  −82.8  −85.9
(R)-Terpinen-4-ol  −87.3  −66.7  −81.5  −94.0  −80.2  −72.2
(S)-Terpinen-4-ol  −87.1  −67.2  −78.9  −92.3  −80.2  −71.7
(R)-α-Terpineol  −82.0  −68.0  −80.3  −82.2  −77.6  −71.3
(S)-α-Terpineol  −76.9  −75.5  −103.6  −101.7  −86.6  −84.9
Terpinolene  −83.1  −69.8  −89.0  −101.8  −84.8  −72.9
(-)-α-Thujone  −81.4  −66.2  −84.9  −93.4  −72.6  −74.1
(+)-β-Thujone  −87.6  −66.4  −89.9  −102.9  −71.7  −86.9
Thymohydroquinone dimethyl ether  −86.3  −75.8  −103.7  −116.0  −85.3  −95.5
Thymol  −84.4  −70.8  −96.4  −107.1  −79.7  −91.8
2-Undecanone  −94.5  −90.2  −110.0  −129.7  −91.9  −107.6
Valencene  −96.7  −75.1  −103.3  −114.7  −87.8  −76.6
(+)-Verbenone  −74.3  −64.5  −79.3  −71.6  −63.9  −72.3
(-)-Verbenone  −73.5  −63.1  −78.0  −65.3  −64.8  −59.3
Viridiflorene  −81.9  −68.6  −102.1  −106.9  −73.1  −81.9
α-Zingiberene  −108.3  −90.9  −113.8  −123.4  −97.7  −99.9