PMC:7279430 / 67072-77143 JSONTXT

{"project":"LitCovid-PubTator","denotations":[{"id":"2840","span":{"begin":4356,"end":4360},"obj":"Species"},{"id":"2841","span":{"begin":7002,"end":7011},"obj":"Species"},{"id":"2842","span":{"begin":7366,"end":7370},"obj":"Species"},{"id":"2843","span":{"begin":269,"end":278},"obj":"Species"},{"id":"2844","span":{"begin":333,"end":342},"obj":"Species"},{"id":"2845","span":{"begin":394,"end":403},"obj":"Species"}],"attributes":[{"id":"A2840","pred":"tao:has_database_id","subj":"2840","obj":"Tax:114629"},{"id":"A2841","pred":"tao:has_database_id","subj":"2841","obj":"Tax:28511"},{"id":"A2842","pred":"tao:has_database_id","subj":"2842","obj":"Tax:651711"},{"id":"A2843","pred":"tao:has_database_id","subj":"2843","obj":"Tax:1903211"},{"id":"A2844","pred":"tao:has_database_id","subj":"2844","obj":"Tax:1903211"},{"id":"A2845","pred":"tao:has_database_id","subj":"2845","obj":"Tax:1903211"}],"namespaces":[{"prefix":"Tax","uri":"https://www.ncbi.nlm.nih.gov/taxonomy/"},{"prefix":"MESH","uri":"https://id.nlm.nih.gov/mesh/"},{"prefix":"Gene","uri":"https://www.ncbi.nlm.nih.gov/gene/"},{"prefix":"CVCL","uri":"https://web.expasy.org/cellosaurus/CVCL_"}],"text":"Compound BtOBP Cruzain TcAChE BaNadD DrPLA2 EcAspTA\n1GT3 1ME3 6G1U 3HFJ 1FV0 2Q7W\n(E)-Anethole −90.2 −73.3 −96.8 −112.9 −85.3 −88.1\nallo-Aromadendrene −85.0 −70.6 −92.8 −105.8 −87.8 −79.6\nArtemiseole −84.8 −74.2 −84.2 −90.6 −68.0 −71.7\n(R)-Artemisia alcohol −88.4 −68.3 −89.5 −94.8 −80.7 −81.5\n(S)-Artemisia alcohol −86.1 −74.0 −94.8 −101.4 −82.5 −81.4\nArtemisia ketone −93.1 −77.3 −91.5 −107.9 −87.8 −80.6\nAscaridole −79.7 −54.4 −72.1 −79.7 −75.0 −65.3\nBenzyl benzoate −105.0 −82.8 −115.8 −128.1 −97.3 −89.9\n(Z)-trans-α-Bergamotol −1 00.7 −73.6 −107.0 −94.2 −92.6 −85.8\nBicyclogermacrene −97.5 −82.4 −95.6 −105.5 −89.7 −89.0\nBicyclosesquiphellandrene −92.2 −52.5 −91.2 −110.7 −88.4 −75.7\nα-Bisabolol oxide A −94.7 −66.1 −102.8 −102.6 −77.1 −82.7\nα-Bisabolol oxide B −104.6 −90.4 −107.0 −121.9 −94.2 −89.8\nBisabolone oxide A −100.1 −71.9 −96.8 −84.7 −81.2 −86.7\n(+)-Borneol −72.5 −51.0 −72.0 −47.8 −61.4 −62.5\n(-)-Borneol −78.3 −53.1 −70.8 −49.0 −63.3 −56.2\n(+)-iso-Borneol −73.7 −55.6 −74.6 −31.0 −60.9 −59.7\n(-)-iso-Borneol −73.2 −55.3 −77.7 −52.6 −51.0 −57.4\nα-Bulnesene −93.4 −89.3 −109.3 −115.7 −94.4 −95.3\nδ-Cadinene −79.5 −86.8 −105.1 −116.8 −94.8 −82.3\nΤ-Cadinol −87.8 −71.8 −117.7 −121.7 −86.0 −87.0\n(R)-Calamene −80.3 −84.4 −116.5 −120.4 −91.3 −87.7\n(S)-Calamene −80.1 −82.5 −116.2 −121.8 −93.0 −88.3\n(+)-Camphene −79.0 −62.1 −77.0 −75.9 −69.3 −67.5\n(-)-Camphene −77.7 −62.8 −75.2 −77.4 −71.3 −70.6\n(+)-Camphor −76.0 −57.0 −75.0 −49.0 −53.5 −54.1\n(-)-Camphor −80.0 −54.1 −74.4 −52.9 −61.2 −56.4\n(+)-δ-3-Carene −80.4 −64.2 −80.6 −88.0 −71.8 −72.5\n(-)-δ-3-Carene −82.0 −68.9 −84.4 −90.2 −72.8 −72.9\nCarvacrol −82.4 −77.7 −94.8 −106.7 −81.6 −87.5\nCarvacrol methyl ether −85.6 −79.3 −96.6 −111.5 −84.2 −93.6\n(+)-cis-Carveol −89.1 −77.3 −96.9 −109.4 −81.3 −87.6\n(-)-cis-Carveol −89.0 −82.1 −95.5 −109.0 −83.2 −89.4\n(R)-Carvone −86.0 −80.7 −94.6 −109.9 −83.5 −91.5\n(S)-Carvone −88.0 −77.2 −94.1 −105.9 −82.8 −87.2\n(E)-Caryophyllene −87.3 −60.4 −88.1 −87.3 −87.4 −78.6\nCaryophyllene oxide −95.1 −73.1 −90.1 −97.0 −83.8 −77.8\nCedrol −87.7 −63.1 −96.4 −84.4 −86.3 −70.9\nepi-Cedrol −84.0 −59.7 −83.3 −86.7 −80.0 −76.2\nChamazulene −95.2 −89.2 −123.0 −132.1 −98.9 −101.6\n(-)-cis-Chrystanthyl acetate −85.8 −63.7 −89.8 −73.8 −76.5 −71.5\n(-)-trans-Chrysanthenyl acetate −80.9 −69.7 −82.4 −78.5 −76.5 −68.6\n1,8-Cineole −69.3 −51.1 −73.2 −54.4 −49.4 −47.3\n(E)-Cinnamaldehyde −87.7 −77.6 −98.2 −110.1 −85.7 −89.5\n(E)-Cinnamyl acetate −95.9 −88.2 −107.4 −132.5 −94.6 −103.1\n(R)-Citronellal −98.1 −90.5 −109.3 −120.7 −88.3 −105.7\n(S)-Citronellal −95.0 −89.7 −108.5 −123.3 −86.9 −104.1\n(R)-Citronellol −91.0 −90.0 −108.2 −122.4 −88.6 −107.7\n(S)-Citronellol −92.5 −91.9 −108.5 −122.0 −90.3 −100.3\n(R)-Citronellyl formate −98.0 −93.5 −118.7 −129.5 −87.5 −108.5\n(S)-Citronellyl formate −99.7 −95.1 −111.2 −135.6 −91.5 −94.8\nα-Copaene −88.9 −69.9 −84.6 −78.7 −81.7 −61.9\nCostunolide −106.8 −87.5 −116.7 −120.1 −100.3 −89.1\n(R)-Cryptone −74.9 −68.1 −92.2 −100.0 −78.5 −80.8\n(S)-Cryptone −79.0 −68.5 −91.6 −100.7 −82.7 −79.6\nβ-Cubebene −99.8 −67.2 −106.9 −112.2 −93.9 −94.8\nCuminaldehyde −84.9 −79.1 −95.3 −109.1 −90.1 −89.5\nar-Curcumene −98.1 −87.5 −116.0 −125.7 −94.1 −95.3\nCurcumol −90.1 −67.6 −100.4 −88.0 −87.6 −81.5\nCurdione −96.4 −75.1 −99.3 −116.3 −91.0 −78.7\nCurzerene −96.4 −80.3 −109.4 −89.7 −91.1 −86.4\nm-Cymene −78.9 −73.1 −96.1 −99.1 −76.6 −88.0\no-Cymene −77.0 −61.9 −89.8 −97.8 −76.2 −77.2\np-Cymene −82.8 −73.2 −91.3 −96.8 −80.9 −84.3\n(E)-β-Damascenone −90.1 −80.5 −100.7 −105.4 −88.9 −80.0\n(2E,4E)-Decadienal −96.4 −87.0 −110.4 −129.7 −95.8 −114.8\nDodecanal −95.8 −83.7 −110.3 −127.3 −89.2 −108.9\nEremanthin −80.1 −87.9 −121.3 −132.4 −98.7 −91.8\nβ-Eudesmol −95.2 −76.1 −98.6 −114.1 −85.3 −87.1\nγ-Eudesmol −94.9 −78.2 −106.1 −105.2 −89.7 −89.1\nEugenol −90.4 −82.4 −103.9 −119.3 −87.3 −98.8\nEugenol methyl ether −93.6 −78.1 −106.3 −116.8 −89.3 −94.4\nEugenyl acetate −94.9 −83.4 −109.2 −126.1 −100.1 −104.6\n(E,E)-α-Farnesene −115.5 −103.7 −129.8 −131.8 −101.2 −111.4\n(E)-β-Farnesene −112.1 −103.2 −122.7 −131.8 −105.3 −108.6\n(E,E)-Farnesol −116.8 −96.2 −133.0 −135.6 −100.5 −109.0\n(+)-Fenchone −78.4 −60.5 −79.5 −79.8 −62.4 −69.9\n(-)-Fenchone −80.3 −61.5 −81.0 −84.2 −65.5 −60.7\nFlavesone −87.1 −56.0 −88.6 −92.1 −85.2 −80.3\nGeranial −96.5 −94.9 −111.7 −119.3 −92.1 −101.5\nGeraniol −95.5 −93.6 −109.7 −118.0 −94.3 −107.3\nGeranyl formate −100.2 −89.7 −115.4 −128.3 −94.8 −114.1\nGermacrene D −102.4 −88.8 −109.9 −116.5 −93.7 −90.0\nGermacrone −92.4 −68.3 −94.5 −102.9 −88.3 −80.0\nGuiaol −100.8 −88.5 −113.3 −107.5 −92.6 −94.0\nα-Gurjunene −80.6 −61.6 −84.6 −100.0 −83.6 −78.1\nβ-Gurjunene −89.3 −38.8 −80.3 11.3 −77.6 −71.1\nα-Himachalene −89.2 −67.9 −83.9 −96.3 −87.6 −73.4\nβ-Himachalene −81.9 −65.4 −96.1 −110.8 −91.4 −76.8\nHimachalol −91.5 −64.1 −81.2 −24.7 −81.7 −66.3\nα-Humulene −94.0 −80.0 −89.9 −113.6 −89.2 −82.5\nLeptospermone −89.6 −64.0 −92.2 −102.7 −88.8 −80.7\niso-Leptospermone −92.8 −63.0 −90.1 −99.4 −86.2 −78.2\n(R)-Limonene −86.2 −75.7 −92.4 −99.6 −81.7 −86.8\n(S)-Limonene −84.9 −77.6 −93.4 −99.8 −83.3 −87.3\n(R,S,R)-Limonene oxide −87.1 −76.0 −93.2 −110.7 −84.9 −86.3\n(S,R,R)-Limonene oxide −84.6 −68.8 −85.0 −84.3 −76.2 −69.8\n(S,R,S)-Limonene oxide −91.2 −73.8 −97.4 −93.6 −85.1 −87.9\n(R)-Linalool −95.5 −89.9 −116.6 −112.4 −90.3 −89.9\n(S)-Linalool −93.0 −88.9 −110.1 −111.9 −91.0 −95.7\n(R)-Linalyl acetate −96.9 −87.1 −107.1 −112.5 −87.1 −95.2\n(S)-Linalyl acetate −100.0 −90.5 −110.2 −114.3 −86.6 −87.1\np-Mentha-1(7),8-diene −83.3 −74.4 −93.6 −100.0 −82.9 −84.9\n(+)-Menthol −86.1 −66.4 −98.6 −106.1 −79.2 −90.8\n(-)-Menthol −81.0 −68.9 −97.5 −106.3 −80.5 −89.7\nMenthone −82.4 −72.0 −92.6 −98.2 −82.8 −83.5\niso-Menthone −79.9 −64.8 −88.2 −102.4 −75.1 −82.0\nα-Muurolene −91.2 −79.9 −95.6 −113.7 −90.0 −82.8\n(+)-γ-Muurolene −85.2 −77.0 −98.7 −113.9 −93.2 −78.7\n(-)-γ-Muurolene −83.1 −83.4 −96.9 −106.3 −82.9 −80.5\nMyrcene −90.4 −88.8 −109.0 −112.7 −90.3 −101.1\nNeral −95.1 −94.1 −111.1 −122.8 −90.9 −105.4\n(E)-Nerolidol −111.5 −101.8 −131.9 −131.3 −99.6 −110.5\n(E)-β-Ocimene −91.8 −89.4 −104.6 −116.4 −89.0 −97.0\n(Z)-β-Ocimene −89.7 −90.6 −106.8 −112.1 −90.3 −94.4\nOctanal −85.8 −79.8 −97.6 −112.0 −85.7 −102.7\n(R)-2-Octen-3-ol −84.3 −81.5 −106.9 −107.1 −83.3 −101.1\n(S)-1-Octen-3-ol −84.5 −82.4 −108.4 −105.9 −85.0 −99.5\n3-Octanone −84.2 −82.5 −102.6 −111.6 −82.9 −101.8\nPatchouli alcohol −75.1 −41.4 −71.1 100.1 −10.1 −49.2\n(R)-Phellandral −92.3 −79.3 −97.4 −108.1 −88.9 −89.5\n(S)-Phellandral −92.9 −79.9 −96.1 −109.2 −88.9 −88.8\n(R)-α-Phellandrene −84.0 −69.7 −94.7 −100.8 −82.4 −83.8\n(S)-α-Phellandrene −84.3 −69.6 −93.5 −99.4 −82.6 −80.6\n(R)-β-Phellandrene −82.2 −69.9 −93.5 −102.0 −80.6 −84.1\n(S)-β-Phellandrene −83.8 −69.0 −93.2 −100.5 −80.2 −81.2\nPhytol −112.8 −93.8 −132.4 −134.7 −102.4 −112.9\nPhytone −117.8 −92.1 −124.5 −131.1 −99.7 −107.2\n(+)-α-Pinene −74.2 −58.0 −73.4 −62.4 −62.5 −54.4\n(-)-α-Pinene −72.8 −58.3 −70.4 −64.6 −61.7 −57.2\n(+)-β-Pinene −70.9 −57.8 −74.0 −64.1 −60.9 −55.5\n(-)-β-Pinene −73.5 −58.4 −73.1 −65.0 −63.7 −57.0\n(+)-Pinocamphone −76.5 −58.2 −73.6 −53.1 −55.4 −63.6\n(-)-Pinocamphone −76.6 −66.1 −76.5 −65.9 −72.3 −62.7\n(+)-iso-Pinocamphone −75.3 −59.0 −76.6 −54.0 −59.1 −58.1\n(-)-iso-Pinocamphone −76.2 −59.6 −76.7 −56.4 −65.8 −56.2\n(+)-cis-Pinocarveol −75.7 −58.2 −75.2 −51.7 −57.5 −58.1\n(-)-cis-Pinocarveol −75.7 −63.9 −73.5 −52.5 −66.3 −54.5\n(+)-trans-Pinocarveol −77.5 −60.6 −76.5 −71.1 −63.9 −61.4\n(-)-trans-Pinocarveol −72.4 −58.6 −77.2 −71.4 −56.3 −62.6\n(+)-Piperitone oxide −88.5 −70.5 −100.5 −104.2 −80.4 −78.0\n(-)-Piperitone oxide −86.0 −73.6 −99.6 −104.5 −80.7 −83.8\n(-)-iso-Pulegol −85.1 −72.0 −93.5 −106.7 −83.5 −93.8\n(R)-Pulegone −81.8 −69.9 −90.3 −103.9 −78.4 −74.4\n(S)-Pulegone −79.7 −69.6 −89.3 −99.9 −81.5 −76.4\nRotundifolone −86.1 −72.1 −96.1 −100.0 −82.4 −72.1\n(+)-Sabinene −87.9 −66.6 −84.5 −92.1 −80.5 −78.2\n(-)-Sabinene −79.7 −68.4 −91.4 −96.0 −80.8 −75.8\ncis-Sabinene hydrate −88.1 −70.2 −84.5 −91.1 −72.3 −68.1\n(Z)-α-Santalol −108.5 −85.6 −113.4 −106.8 −96.8 −90.7\n(E)-β-Santalol −105.0 −90.2 −110.6 −113.3 −94.3 −94.0\n(Z)-β-Santalol −108.0 −85.3 −110.4 −110.9 −96.5 −92.6\nβ-Sesquiphellandrene −103.9 −92.2 −116.6 −127.5 −99.4 −98.3\nSpathulenol −95.9 −94.8 −97.7 −102.8 −84.3 −102.2\n(Z)-Spiroether −112.8 −85.5 −124.3 −136.1 −101.5 −102.9\nγ-Terpinene −84.3 −74.9 −93.4 −98.7 −82.8 −85.9\n(R)-Terpinen-4-ol −87.3 −66.7 −81.5 −94.0 −80.2 −72.2\n(S)-Terpinen-4-ol −87.1 −67.2 −78.9 −92.3 −80.2 −71.7\n(R)-α-Terpineol −82.0 −68.0 −80.3 −82.2 −77.6 −71.3\n(S)-α-Terpineol −76.9 −75.5 −103.6 −101.7 −86.6 −84.9\nTerpinolene −83.1 −69.8 −89.0 −101.8 −84.8 −72.9\n(-)-α-Thujone −81.4 −66.2 −84.9 −93.4 −72.6 −74.1\n(+)-β-Thujone −87.6 −66.4 −89.9 −102.9 −71.7 −86.9\nThymohydroquinone dimethyl ether −86.3 −75.8 −103.7 −116.0 −85.3 −95.5\nThymol −84.4 −70.8 −96.4 −107.1 −79.7 −91.8\n2-Undecanone −94.5 −90.2 −110.0 −129.7 −91.9 −107.6\nValencene −96.7 −75.1 −103.3 −114.7 −87.8 −76.6\n(+)-Verbenone −74.3 −64.5 −79.3 −71.6 −63.9 −72.3\n(-)-Verbenone −73.5 −63.1 −78.0 −65.3 −64.8 −59.3\nViridiflorene −81.9 −68.6 −102.1 −106.9 −73.1 −81.9\nα-Zingiberene −108.3 −90.9 −113.8 −123.4 −97.7 −99.9"}

{"project":"LitCovid-PD-CLO","denotations":[{"id":"T697","span":{"begin":784,"end":785},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T698","span":{"begin":848,"end":849},"obj":"http://purl.obolibrary.org/obo/CLO_0001021"},{"id":"T699","span":{"begin":912,"end":913},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T700","span":{"begin":2310,"end":2313},"obj":"http://purl.obolibrary.org/obo/CLO_0002941"},{"id":"T701","span":{"begin":5597,"end":5600},"obj":"http://purl.obolibrary.org/obo/CLO_0008882"},{"id":"T702","span":{"begin":5663,"end":5666},"obj":"http://purl.obolibrary.org/obo/CLO_0009126"},{"id":"T703","span":{"begin":5728,"end":5731},"obj":"http://purl.obolibrary.org/obo/CLO_0009126"},{"id":"T704","span":{"begin":6885,"end":6890},"obj":"http://purl.obolibrary.org/obo/CLO_0050050"}],"text":"Compound BtOBP Cruzain TcAChE BaNadD DrPLA2 EcAspTA\n1GT3 1ME3 6G1U 3HFJ 1FV0 2Q7W\n(E)-Anethole −90.2 −73.3 −96.8 −112.9 −85.3 −88.1\nallo-Aromadendrene −85.0 −70.6 −92.8 −105.8 −87.8 −79.6\nArtemiseole −84.8 −74.2 −84.2 −90.6 −68.0 −71.7\n(R)-Artemisia alcohol −88.4 −68.3 −89.5 −94.8 −80.7 −81.5\n(S)-Artemisia alcohol −86.1 −74.0 −94.8 −101.4 −82.5 −81.4\nArtemisia ketone −93.1 −77.3 −91.5 −107.9 −87.8 −80.6\nAscaridole −79.7 −54.4 −72.1 −79.7 −75.0 −65.3\nBenzyl benzoate −105.0 −82.8 −115.8 −128.1 −97.3 −89.9\n(Z)-trans-α-Bergamotol −1 00.7 −73.6 −107.0 −94.2 −92.6 −85.8\nBicyclogermacrene −97.5 −82.4 −95.6 −105.5 −89.7 −89.0\nBicyclosesquiphellandrene −92.2 −52.5 −91.2 −110.7 −88.4 −75.7\nα-Bisabolol oxide A −94.7 −66.1 −102.8 −102.6 −77.1 −82.7\nα-Bisabolol oxide B −104.6 −90.4 −107.0 −121.9 −94.2 −89.8\nBisabolone oxide A −100.1 −71.9 −96.8 −84.7 −81.2 −86.7\n(+)-Borneol −72.5 −51.0 −72.0 −47.8 −61.4 −62.5\n(-)-Borneol −78.3 −53.1 −70.8 −49.0 −63.3 −56.2\n(+)-iso-Borneol −73.7 −55.6 −74.6 −31.0 −60.9 −59.7\n(-)-iso-Borneol −73.2 −55.3 −77.7 −52.6 −51.0 −57.4\nα-Bulnesene −93.4 −89.3 −109.3 −115.7 −94.4 −95.3\nδ-Cadinene −79.5 −86.8 −105.1 −116.8 −94.8 −82.3\nΤ-Cadinol −87.8 −71.8 −117.7 −121.7 −86.0 −87.0\n(R)-Calamene −80.3 −84.4 −116.5 −120.4 −91.3 −87.7\n(S)-Calamene −80.1 −82.5 −116.2 −121.8 −93.0 −88.3\n(+)-Camphene −79.0 −62.1 −77.0 −75.9 −69.3 −67.5\n(-)-Camphene −77.7 −62.8 −75.2 −77.4 −71.3 −70.6\n(+)-Camphor −76.0 −57.0 −75.0 −49.0 −53.5 −54.1\n(-)-Camphor −80.0 −54.1 −74.4 −52.9 −61.2 −56.4\n(+)-δ-3-Carene −80.4 −64.2 −80.6 −88.0 −71.8 −72.5\n(-)-δ-3-Carene −82.0 −68.9 −84.4 −90.2 −72.8 −72.9\nCarvacrol −82.4 −77.7 −94.8 −106.7 −81.6 −87.5\nCarvacrol methyl ether −85.6 −79.3 −96.6 −111.5 −84.2 −93.6\n(+)-cis-Carveol −89.1 −77.3 −96.9 −109.4 −81.3 −87.6\n(-)-cis-Carveol −89.0 −82.1 −95.5 −109.0 −83.2 −89.4\n(R)-Carvone −86.0 −80.7 −94.6 −109.9 −83.5 −91.5\n(S)-Carvone −88.0 −77.2 −94.1 −105.9 −82.8 −87.2\n(E)-Caryophyllene −87.3 −60.4 −88.1 −87.3 −87.4 −78.6\nCaryophyllene oxide −95.1 −73.1 −90.1 −97.0 −83.8 −77.8\nCedrol −87.7 −63.1 −96.4 −84.4 −86.3 −70.9\nepi-Cedrol −84.0 −59.7 −83.3 −86.7 −80.0 −76.2\nChamazulene −95.2 −89.2 −123.0 −132.1 −98.9 −101.6\n(-)-cis-Chrystanthyl acetate −85.8 −63.7 −89.8 −73.8 −76.5 −71.5\n(-)-trans-Chrysanthenyl acetate −80.9 −69.7 −82.4 −78.5 −76.5 −68.6\n1,8-Cineole −69.3 −51.1 −73.2 −54.4 −49.4 −47.3\n(E)-Cinnamaldehyde −87.7 −77.6 −98.2 −110.1 −85.7 −89.5\n(E)-Cinnamyl acetate −95.9 −88.2 −107.4 −132.5 −94.6 −103.1\n(R)-Citronellal −98.1 −90.5 −109.3 −120.7 −88.3 −105.7\n(S)-Citronellal −95.0 −89.7 −108.5 −123.3 −86.9 −104.1\n(R)-Citronellol −91.0 −90.0 −108.2 −122.4 −88.6 −107.7\n(S)-Citronellol −92.5 −91.9 −108.5 −122.0 −90.3 −100.3\n(R)-Citronellyl formate −98.0 −93.5 −118.7 −129.5 −87.5 −108.5\n(S)-Citronellyl formate −99.7 −95.1 −111.2 −135.6 −91.5 −94.8\nα-Copaene −88.9 −69.9 −84.6 −78.7 −81.7 −61.9\nCostunolide −106.8 −87.5 −116.7 −120.1 −100.3 −89.1\n(R)-Cryptone −74.9 −68.1 −92.2 −100.0 −78.5 −80.8\n(S)-Cryptone −79.0 −68.5 −91.6 −100.7 −82.7 −79.6\nβ-Cubebene −99.8 −67.2 −106.9 −112.2 −93.9 −94.8\nCuminaldehyde −84.9 −79.1 −95.3 −109.1 −90.1 −89.5\nar-Curcumene −98.1 −87.5 −116.0 −125.7 −94.1 −95.3\nCurcumol −90.1 −67.6 −100.4 −88.0 −87.6 −81.5\nCurdione −96.4 −75.1 −99.3 −116.3 −91.0 −78.7\nCurzerene −96.4 −80.3 −109.4 −89.7 −91.1 −86.4\nm-Cymene −78.9 −73.1 −96.1 −99.1 −76.6 −88.0\no-Cymene −77.0 −61.9 −89.8 −97.8 −76.2 −77.2\np-Cymene −82.8 −73.2 −91.3 −96.8 −80.9 −84.3\n(E)-β-Damascenone −90.1 −80.5 −100.7 −105.4 −88.9 −80.0\n(2E,4E)-Decadienal −96.4 −87.0 −110.4 −129.7 −95.8 −114.8\nDodecanal −95.8 −83.7 −110.3 −127.3 −89.2 −108.9\nEremanthin −80.1 −87.9 −121.3 −132.4 −98.7 −91.8\nβ-Eudesmol −95.2 −76.1 −98.6 −114.1 −85.3 −87.1\nγ-Eudesmol −94.9 −78.2 −106.1 −105.2 −89.7 −89.1\nEugenol −90.4 −82.4 −103.9 −119.3 −87.3 −98.8\nEugenol methyl ether −93.6 −78.1 −106.3 −116.8 −89.3 −94.4\nEugenyl acetate −94.9 −83.4 −109.2 −126.1 −100.1 −104.6\n(E,E)-α-Farnesene −115.5 −103.7 −129.8 −131.8 −101.2 −111.4\n(E)-β-Farnesene −112.1 −103.2 −122.7 −131.8 −105.3 −108.6\n(E,E)-Farnesol −116.8 −96.2 −133.0 −135.6 −100.5 −109.0\n(+)-Fenchone −78.4 −60.5 −79.5 −79.8 −62.4 −69.9\n(-)-Fenchone −80.3 −61.5 −81.0 −84.2 −65.5 −60.7\nFlavesone −87.1 −56.0 −88.6 −92.1 −85.2 −80.3\nGeranial −96.5 −94.9 −111.7 −119.3 −92.1 −101.5\nGeraniol −95.5 −93.6 −109.7 −118.0 −94.3 −107.3\nGeranyl formate −100.2 −89.7 −115.4 −128.3 −94.8 −114.1\nGermacrene D −102.4 −88.8 −109.9 −116.5 −93.7 −90.0\nGermacrone −92.4 −68.3 −94.5 −102.9 −88.3 −80.0\nGuiaol −100.8 −88.5 −113.3 −107.5 −92.6 −94.0\nα-Gurjunene −80.6 −61.6 −84.6 −100.0 −83.6 −78.1\nβ-Gurjunene −89.3 −38.8 −80.3 11.3 −77.6 −71.1\nα-Himachalene −89.2 −67.9 −83.9 −96.3 −87.6 −73.4\nβ-Himachalene −81.9 −65.4 −96.1 −110.8 −91.4 −76.8\nHimachalol −91.5 −64.1 −81.2 −24.7 −81.7 −66.3\nα-Humulene −94.0 −80.0 −89.9 −113.6 −89.2 −82.5\nLeptospermone −89.6 −64.0 −92.2 −102.7 −88.8 −80.7\niso-Leptospermone −92.8 −63.0 −90.1 −99.4 −86.2 −78.2\n(R)-Limonene −86.2 −75.7 −92.4 −99.6 −81.7 −86.8\n(S)-Limonene −84.9 −77.6 −93.4 −99.8 −83.3 −87.3\n(R,S,R)-Limonene oxide −87.1 −76.0 −93.2 −110.7 −84.9 −86.3\n(S,R,R)-Limonene oxide −84.6 −68.8 −85.0 −84.3 −76.2 −69.8\n(S,R,S)-Limonene oxide −91.2 −73.8 −97.4 −93.6 −85.1 −87.9\n(R)-Linalool −95.5 −89.9 −116.6 −112.4 −90.3 −89.9\n(S)-Linalool −93.0 −88.9 −110.1 −111.9 −91.0 −95.7\n(R)-Linalyl acetate −96.9 −87.1 −107.1 −112.5 −87.1 −95.2\n(S)-Linalyl acetate −100.0 −90.5 −110.2 −114.3 −86.6 −87.1\np-Mentha-1(7),8-diene −83.3 −74.4 −93.6 −100.0 −82.9 −84.9\n(+)-Menthol −86.1 −66.4 −98.6 −106.1 −79.2 −90.8\n(-)-Menthol −81.0 −68.9 −97.5 −106.3 −80.5 −89.7\nMenthone −82.4 −72.0 −92.6 −98.2 −82.8 −83.5\niso-Menthone −79.9 −64.8 −88.2 −102.4 −75.1 −82.0\nα-Muurolene −91.2 −79.9 −95.6 −113.7 −90.0 −82.8\n(+)-γ-Muurolene −85.2 −77.0 −98.7 −113.9 −93.2 −78.7\n(-)-γ-Muurolene −83.1 −83.4 −96.9 −106.3 −82.9 −80.5\nMyrcene −90.4 −88.8 −109.0 −112.7 −90.3 −101.1\nNeral −95.1 −94.1 −111.1 −122.8 −90.9 −105.4\n(E)-Nerolidol −111.5 −101.8 −131.9 −131.3 −99.6 −110.5\n(E)-β-Ocimene −91.8 −89.4 −104.6 −116.4 −89.0 −97.0\n(Z)-β-Ocimene −89.7 −90.6 −106.8 −112.1 −90.3 −94.4\nOctanal −85.8 −79.8 −97.6 −112.0 −85.7 −102.7\n(R)-2-Octen-3-ol −84.3 −81.5 −106.9 −107.1 −83.3 −101.1\n(S)-1-Octen-3-ol −84.5 −82.4 −108.4 −105.9 −85.0 −99.5\n3-Octanone −84.2 −82.5 −102.6 −111.6 −82.9 −101.8\nPatchouli alcohol −75.1 −41.4 −71.1 100.1 −10.1 −49.2\n(R)-Phellandral −92.3 −79.3 −97.4 −108.1 −88.9 −89.5\n(S)-Phellandral −92.9 −79.9 −96.1 −109.2 −88.9 −88.8\n(R)-α-Phellandrene −84.0 −69.7 −94.7 −100.8 −82.4 −83.8\n(S)-α-Phellandrene −84.3 −69.6 −93.5 −99.4 −82.6 −80.6\n(R)-β-Phellandrene −82.2 −69.9 −93.5 −102.0 −80.6 −84.1\n(S)-β-Phellandrene −83.8 −69.0 −93.2 −100.5 −80.2 −81.2\nPhytol −112.8 −93.8 −132.4 −134.7 −102.4 −112.9\nPhytone −117.8 −92.1 −124.5 −131.1 −99.7 −107.2\n(+)-α-Pinene −74.2 −58.0 −73.4 −62.4 −62.5 −54.4\n(-)-α-Pinene −72.8 −58.3 −70.4 −64.6 −61.7 −57.2\n(+)-β-Pinene −70.9 −57.8 −74.0 −64.1 −60.9 −55.5\n(-)-β-Pinene −73.5 −58.4 −73.1 −65.0 −63.7 −57.0\n(+)-Pinocamphone −76.5 −58.2 −73.6 −53.1 −55.4 −63.6\n(-)-Pinocamphone −76.6 −66.1 −76.5 −65.9 −72.3 −62.7\n(+)-iso-Pinocamphone −75.3 −59.0 −76.6 −54.0 −59.1 −58.1\n(-)-iso-Pinocamphone −76.2 −59.6 −76.7 −56.4 −65.8 −56.2\n(+)-cis-Pinocarveol −75.7 −58.2 −75.2 −51.7 −57.5 −58.1\n(-)-cis-Pinocarveol −75.7 −63.9 −73.5 −52.5 −66.3 −54.5\n(+)-trans-Pinocarveol −77.5 −60.6 −76.5 −71.1 −63.9 −61.4\n(-)-trans-Pinocarveol −72.4 −58.6 −77.2 −71.4 −56.3 −62.6\n(+)-Piperitone oxide −88.5 −70.5 −100.5 −104.2 −80.4 −78.0\n(-)-Piperitone oxide −86.0 −73.6 −99.6 −104.5 −80.7 −83.8\n(-)-iso-Pulegol −85.1 −72.0 −93.5 −106.7 −83.5 −93.8\n(R)-Pulegone −81.8 −69.9 −90.3 −103.9 −78.4 −74.4\n(S)-Pulegone −79.7 −69.6 −89.3 −99.9 −81.5 −76.4\nRotundifolone −86.1 −72.1 −96.1 −100.0 −82.4 −72.1\n(+)-Sabinene −87.9 −66.6 −84.5 −92.1 −80.5 −78.2\n(-)-Sabinene −79.7 −68.4 −91.4 −96.0 −80.8 −75.8\ncis-Sabinene hydrate −88.1 −70.2 −84.5 −91.1 −72.3 −68.1\n(Z)-α-Santalol −108.5 −85.6 −113.4 −106.8 −96.8 −90.7\n(E)-β-Santalol −105.0 −90.2 −110.6 −113.3 −94.3 −94.0\n(Z)-β-Santalol −108.0 −85.3 −110.4 −110.9 −96.5 −92.6\nβ-Sesquiphellandrene −103.9 −92.2 −116.6 −127.5 −99.4 −98.3\nSpathulenol −95.9 −94.8 −97.7 −102.8 −84.3 −102.2\n(Z)-Spiroether −112.8 −85.5 −124.3 −136.1 −101.5 −102.9\nγ-Terpinene −84.3 −74.9 −93.4 −98.7 −82.8 −85.9\n(R)-Terpinen-4-ol −87.3 −66.7 −81.5 −94.0 −80.2 −72.2\n(S)-Terpinen-4-ol −87.1 −67.2 −78.9 −92.3 −80.2 −71.7\n(R)-α-Terpineol −82.0 −68.0 −80.3 −82.2 −77.6 −71.3\n(S)-α-Terpineol −76.9 −75.5 −103.6 −101.7 −86.6 −84.9\nTerpinolene −83.1 −69.8 −89.0 −101.8 −84.8 −72.9\n(-)-α-Thujone −81.4 −66.2 −84.9 −93.4 −72.6 −74.1\n(+)-β-Thujone −87.6 −66.4 −89.9 −102.9 −71.7 −86.9\nThymohydroquinone dimethyl ether −86.3 −75.8 −103.7 −116.0 −85.3 −95.5\nThymol −84.4 −70.8 −96.4 −107.1 −79.7 −91.8\n2-Undecanone −94.5 −90.2 −110.0 −129.7 −91.9 −107.6\nValencene −96.7 −75.1 −103.3 −114.7 −87.8 −76.6\n(+)-Verbenone −74.3 −64.5 −79.3 −71.6 −63.9 −72.3\n(-)-Verbenone −73.5 −63.1 −78.0 −65.3 −64.8 −59.3\nViridiflorene −81.9 −68.6 −102.1 −106.9 −73.1 −81.9\nα-Zingiberene −108.3 −90.9 −113.8 −123.4 −97.7 −99.9"}

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BtOBP Cruzain TcAChE BaNadD DrPLA2 EcAspTA\n1GT3 1ME3 6G1U 3HFJ 1FV0 2Q7W\n(E)-Anethole −90.2 −73.3 −96.8 −112.9 −85.3 −88.1\nallo-Aromadendrene −85.0 −70.6 −92.8 −105.8 −87.8 −79.6\nArtemiseole −84.8 −74.2 −84.2 −90.6 −68.0 −71.7\n(R)-Artemisia alcohol −88.4 −68.3 −89.5 −94.8 −80.7 −81.5\n(S)-Artemisia alcohol −86.1 −74.0 −94.8 −101.4 −82.5 −81.4\nArtemisia ketone −93.1 −77.3 −91.5 −107.9 −87.8 −80.6\nAscaridole −79.7 −54.4 −72.1 −79.7 −75.0 −65.3\nBenzyl benzoate −105.0 −82.8 −115.8 −128.1 −97.3 −89.9\n(Z)-trans-α-Bergamotol −1 00.7 −73.6 −107.0 −94.2 −92.6 −85.8\nBicyclogermacrene −97.5 −82.4 −95.6 −105.5 −89.7 −89.0\nBicyclosesquiphellandrene −92.2 −52.5 −91.2 −110.7 −88.4 −75.7\nα-Bisabolol oxide A −94.7 −66.1 −102.8 −102.6 −77.1 −82.7\nα-Bisabolol oxide B −104.6 −90.4 −107.0 −121.9 −94.2 −89.8\nBisabolone oxide A −100.1 −71.9 −96.8 −84.7 −81.2 −86.7\n(+)-Borneol −72.5 −51.0 −72.0 −47.8 −61.4 −62.5\n(-)-Borneol −78.3 −53.1 −70.8 −49.0 −63.3 −56.2\n(+)-iso-Borneol −73.7 −55.6 −74.6 −31.0 −60.9 −59.7\n(-)-iso-Borneol −73.2 −55.3 −77.7 −52.6 −51.0 −57.4\nα-Bulnesene −93.4 −89.3 −109.3 −115.7 −94.4 −95.3\nδ-Cadinene −79.5 −86.8 −105.1 −116.8 −94.8 −82.3\nΤ-Cadinol −87.8 −71.8 −117.7 −121.7 −86.0 −87.0\n(R)-Calamene −80.3 −84.4 −116.5 −120.4 −91.3 −87.7\n(S)-Calamene −80.1 −82.5 −116.2 −121.8 −93.0 −88.3\n(+)-Camphene −79.0 −62.1 −77.0 −75.9 −69.3 −67.5\n(-)-Camphene −77.7 −62.8 −75.2 −77.4 −71.3 −70.6\n(+)-Camphor −76.0 −57.0 −75.0 −49.0 −53.5 −54.1\n(-)-Camphor −80.0 −54.1 −74.4 −52.9 −61.2 −56.4\n(+)-δ-3-Carene −80.4 −64.2 −80.6 −88.0 −71.8 −72.5\n(-)-δ-3-Carene −82.0 −68.9 −84.4 −90.2 −72.8 −72.9\nCarvacrol −82.4 −77.7 −94.8 −106.7 −81.6 −87.5\nCarvacrol methyl ether −85.6 −79.3 −96.6 −111.5 −84.2 −93.6\n(+)-cis-Carveol −89.1 −77.3 −96.9 −109.4 −81.3 −87.6\n(-)-cis-Carveol −89.0 −82.1 −95.5 −109.0 −83.2 −89.4\n(R)-Carvone −86.0 −80.7 −94.6 −109.9 −83.5 −91.5\n(S)-Carvone −88.0 −77.2 −94.1 −105.9 −82.8 −87.2\n(E)-Caryophyllene −87.3 −60.4 −88.1 −87.3 −87.4 −78.6\nCaryophyllene oxide −95.1 −73.1 −90.1 −97.0 −83.8 −77.8\nCedrol −87.7 −63.1 −96.4 −84.4 −86.3 −70.9\nepi-Cedrol −84.0 −59.7 −83.3 −86.7 −80.0 −76.2\nChamazulene −95.2 −89.2 −123.0 −132.1 −98.9 −101.6\n(-)-cis-Chrystanthyl acetate −85.8 −63.7 −89.8 −73.8 −76.5 −71.5\n(-)-trans-Chrysanthenyl acetate −80.9 −69.7 −82.4 −78.5 −76.5 −68.6\n1,8-Cineole −69.3 −51.1 −73.2 −54.4 −49.4 −47.3\n(E)-Cinnamaldehyde −87.7 −77.6 −98.2 −110.1 −85.7 −89.5\n(E)-Cinnamyl acetate −95.9 −88.2 −107.4 −132.5 −94.6 −103.1\n(R)-Citronellal −98.1 −90.5 −109.3 −120.7 −88.3 −105.7\n(S)-Citronellal −95.0 −89.7 −108.5 −123.3 −86.9 −104.1\n(R)-Citronellol −91.0 −90.0 −108.2 −122.4 −88.6 −107.7\n(S)-Citronellol −92.5 −91.9 −108.5 −122.0 −90.3 −100.3\n(R)-Citronellyl formate −98.0 −93.5 −118.7 −129.5 −87.5 −108.5\n(S)-Citronellyl formate −99.7 −95.1 −111.2 −135.6 −91.5 −94.8\nα-Copaene −88.9 −69.9 −84.6 −78.7 −81.7 −61.9\nCostunolide −106.8 −87.5 −116.7 −120.1 −100.3 −89.1\n(R)-Cryptone −74.9 −68.1 −92.2 −100.0 −78.5 −80.8\n(S)-Cryptone −79.0 −68.5 −91.6 −100.7 −82.7 −79.6\nβ-Cubebene −99.8 −67.2 −106.9 −112.2 −93.9 −94.8\nCuminaldehyde −84.9 −79.1 −95.3 −109.1 −90.1 −89.5\nar-Curcumene −98.1 −87.5 −116.0 −125.7 −94.1 −95.3\nCurcumol −90.1 −67.6 −100.4 −88.0 −87.6 −81.5\nCurdione −96.4 −75.1 −99.3 −116.3 −91.0 −78.7\nCurzerene −96.4 −80.3 −109.4 −89.7 −91.1 −86.4\nm-Cymene −78.9 −73.1 −96.1 −99.1 −76.6 −88.0\no-Cymene −77.0 −61.9 −89.8 −97.8 −76.2 −77.2\np-Cymene −82.8 −73.2 −91.3 −96.8 −80.9 −84.3\n(E)-β-Damascenone −90.1 −80.5 −100.7 −105.4 −88.9 −80.0\n(2E,4E)-Decadienal −96.4 −87.0 −110.4 −129.7 −95.8 −114.8\nDodecanal −95.8 −83.7 −110.3 −127.3 −89.2 −108.9\nEremanthin −80.1 −87.9 −121.3 −132.4 −98.7 −91.8\nβ-Eudesmol −95.2 −76.1 −98.6 −114.1 −85.3 −87.1\nγ-Eudesmol −94.9 −78.2 −106.1 −105.2 −89.7 −89.1\nEugenol −90.4 −82.4 −103.9 −119.3 −87.3 −98.8\nEugenol methyl ether −93.6 −78.1 −106.3 −116.8 −89.3 −94.4\nEugenyl acetate −94.9 −83.4 −109.2 −126.1 −100.1 −104.6\n(E,E)-α-Farnesene −115.5 −103.7 −129.8 −131.8 −101.2 −111.4\n(E)-β-Farnesene −112.1 −103.2 −122.7 −131.8 −105.3 −108.6\n(E,E)-Farnesol −116.8 −96.2 −133.0 −135.6 −100.5 −109.0\n(+)-Fenchone −78.4 −60.5 −79.5 −79.8 −62.4 −69.9\n(-)-Fenchone −80.3 −61.5 −81.0 −84.2 −65.5 −60.7\nFlavesone −87.1 −56.0 −88.6 −92.1 −85.2 −80.3\nGeranial −96.5 −94.9 −111.7 −119.3 −92.1 −101.5\nGeraniol −95.5 −93.6 −109.7 −118.0 −94.3 −107.3\nGeranyl formate −100.2 −89.7 −115.4 −128.3 −94.8 −114.1\nGermacrene D −102.4 −88.8 −109.9 −116.5 −93.7 −90.0\nGermacrone −92.4 −68.3 −94.5 −102.9 −88.3 −80.0\nGuiaol −100.8 −88.5 −113.3 −107.5 −92.6 −94.0\nα-Gurjunene −80.6 −61.6 −84.6 −100.0 −83.6 −78.1\nβ-Gurjunene −89.3 −38.8 −80.3 11.3 −77.6 −71.1\nα-Himachalene −89.2 −67.9 −83.9 −96.3 −87.6 −73.4\nβ-Himachalene −81.9 −65.4 −96.1 −110.8 −91.4 −76.8\nHimachalol −91.5 −64.1 −81.2 −24.7 −81.7 −66.3\nα-Humulene −94.0 −80.0 −89.9 −113.6 −89.2 −82.5\nLeptospermone −89.6 −64.0 −92.2 −102.7 −88.8 −80.7\niso-Leptospermone −92.8 −63.0 −90.1 −99.4 −86.2 −78.2\n(R)-Limonene −86.2 −75.7 −92.4 −99.6 −81.7 −86.8\n(S)-Limonene −84.9 −77.6 −93.4 −99.8 −83.3 −87.3\n(R,S,R)-Limonene oxide −87.1 −76.0 −93.2 −110.7 −84.9 −86.3\n(S,R,R)-Limonene oxide −84.6 −68.8 −85.0 −84.3 −76.2 −69.8\n(S,R,S)-Limonene oxide −91.2 −73.8 −97.4 −93.6 −85.1 −87.9\n(R)-Linalool −95.5 −89.9 −116.6 −112.4 −90.3 −89.9\n(S)-Linalool −93.0 −88.9 −110.1 −111.9 −91.0 −95.7\n(R)-Linalyl acetate −96.9 −87.1 −107.1 −112.5 −87.1 −95.2\n(S)-Linalyl acetate −100.0 −90.5 −110.2 −114.3 −86.6 −87.1\np-Mentha-1(7),8-diene −83.3 −74.4 −93.6 −100.0 −82.9 −84.9\n(+)-Menthol −86.1 −66.4 −98.6 −106.1 −79.2 −90.8\n(-)-Menthol −81.0 −68.9 −97.5 −106.3 −80.5 −89.7\nMenthone −82.4 −72.0 −92.6 −98.2 −82.8 −83.5\niso-Menthone −79.9 −64.8 −88.2 −102.4 −75.1 −82.0\nα-Muurolene −91.2 −79.9 −95.6 −113.7 −90.0 −82.8\n(+)-γ-Muurolene −85.2 −77.0 −98.7 −113.9 −93.2 −78.7\n(-)-γ-Muurolene −83.1 −83.4 −96.9 −106.3 −82.9 −80.5\nMyrcene −90.4 −88.8 −109.0 −112.7 −90.3 −101.1\nNeral −95.1 −94.1 −111.1 −122.8 −90.9 −105.4\n(E)-Nerolidol −111.5 −101.8 −131.9 −131.3 −99.6 −110.5\n(E)-β-Ocimene −91.8 −89.4 −104.6 −116.4 −89.0 −97.0\n(Z)-β-Ocimene −89.7 −90.6 −106.8 −112.1 −90.3 −94.4\nOctanal −85.8 −79.8 −97.6 −112.0 −85.7 −102.7\n(R)-2-Octen-3-ol −84.3 −81.5 −106.9 −107.1 −83.3 −101.1\n(S)-1-Octen-3-ol −84.5 −82.4 −108.4 −105.9 −85.0 −99.5\n3-Octanone −84.2 −82.5 −102.6 −111.6 −82.9 −101.8\nPatchouli alcohol −75.1 −41.4 −71.1 100.1 −10.1 −49.2\n(R)-Phellandral −92.3 −79.3 −97.4 −108.1 −88.9 −89.5\n(S)-Phellandral −92.9 −79.9 −96.1 −109.2 −88.9 −88.8\n(R)-α-Phellandrene −84.0 −69.7 −94.7 −100.8 −82.4 −83.8\n(S)-α-Phellandrene −84.3 −69.6 −93.5 −99.4 −82.6 −80.6\n(R)-β-Phellandrene −82.2 −69.9 −93.5 −102.0 −80.6 −84.1\n(S)-β-Phellandrene −83.8 −69.0 −93.2 −100.5 −80.2 −81.2\nPhytol −112.8 −93.8 −132.4 −134.7 −102.4 −112.9\nPhytone −117.8 −92.1 −124.5 −131.1 −99.7 −107.2\n(+)-α-Pinene −74.2 −58.0 −73.4 −62.4 −62.5 −54.4\n(-)-α-Pinene −72.8 −58.3 −70.4 −64.6 −61.7 −57.2\n(+)-β-Pinene −70.9 −57.8 −74.0 −64.1 −60.9 −55.5\n(-)-β-Pinene −73.5 −58.4 −73.1 −65.0 −63.7 −57.0\n(+)-Pinocamphone −76.5 −58.2 −73.6 −53.1 −55.4 −63.6\n(-)-Pinocamphone −76.6 −66.1 −76.5 −65.9 −72.3 −62.7\n(+)-iso-Pinocamphone −75.3 −59.0 −76.6 −54.0 −59.1 −58.1\n(-)-iso-Pinocamphone −76.2 −59.6 −76.7 −56.4 −65.8 −56.2\n(+)-cis-Pinocarveol −75.7 −58.2 −75.2 −51.7 −57.5 −58.1\n(-)-cis-Pinocarveol −75.7 −63.9 −73.5 −52.5 −66.3 −54.5\n(+)-trans-Pinocarveol −77.5 −60.6 −76.5 −71.1 −63.9 −61.4\n(-)-trans-Pinocarveol −72.4 −58.6 −77.2 −71.4 −56.3 −62.6\n(+)-Piperitone oxide −88.5 −70.5 −100.5 −104.2 −80.4 −78.0\n(-)-Piperitone oxide −86.0 −73.6 −99.6 −104.5 −80.7 −83.8\n(-)-iso-Pulegol −85.1 −72.0 −93.5 −106.7 −83.5 −93.8\n(R)-Pulegone −81.8 −69.9 −90.3 −103.9 −78.4 −74.4\n(S)-Pulegone −79.7 −69.6 −89.3 −99.9 −81.5 −76.4\nRotundifolone −86.1 −72.1 −96.1 −100.0 −82.4 −72.1\n(+)-Sabinene −87.9 −66.6 −84.5 −92.1 −80.5 −78.2\n(-)-Sabinene −79.7 −68.4 −91.4 −96.0 −80.8 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−96.7 −75.1 −103.3 −114.7 −87.8 −76.6\n(+)-Verbenone −74.3 −64.5 −79.3 −71.6 −63.9 −72.3\n(-)-Verbenone −73.5 −63.1 −78.0 −65.3 −64.8 −59.3\nViridiflorene −81.9 −68.6 −102.1 −106.9 −73.1 −81.9\nα-Zingiberene −108.3 −90.9 −113.8 −123.4 −97.7 −99.9"}

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BtOBP Cruzain TcAChE BaNadD DrPLA2 EcAspTA\n1GT3 1ME3 6G1U 3HFJ 1FV0 2Q7W\n(E)-Anethole −90.2 −73.3 −96.8 −112.9 −85.3 −88.1\nallo-Aromadendrene −85.0 −70.6 −92.8 −105.8 −87.8 −79.6\nArtemiseole −84.8 −74.2 −84.2 −90.6 −68.0 −71.7\n(R)-Artemisia alcohol −88.4 −68.3 −89.5 −94.8 −80.7 −81.5\n(S)-Artemisia alcohol −86.1 −74.0 −94.8 −101.4 −82.5 −81.4\nArtemisia ketone −93.1 −77.3 −91.5 −107.9 −87.8 −80.6\nAscaridole −79.7 −54.4 −72.1 −79.7 −75.0 −65.3\nBenzyl benzoate −105.0 −82.8 −115.8 −128.1 −97.3 −89.9\n(Z)-trans-α-Bergamotol −1 00.7 −73.6 −107.0 −94.2 −92.6 −85.8\nBicyclogermacrene −97.5 −82.4 −95.6 −105.5 −89.7 −89.0\nBicyclosesquiphellandrene −92.2 −52.5 −91.2 −110.7 −88.4 −75.7\nα-Bisabolol oxide A −94.7 −66.1 −102.8 −102.6 −77.1 −82.7\nα-Bisabolol oxide B −104.6 −90.4 −107.0 −121.9 −94.2 −89.8\nBisabolone oxide A −100.1 −71.9 −96.8 −84.7 −81.2 −86.7\n(+)-Borneol −72.5 −51.0 −72.0 −47.8 −61.4 −62.5\n(-)-Borneol −78.3 −53.1 −70.8 −49.0 −63.3 −56.2\n(+)-iso-Borneol −73.7 −55.6 −74.6 −31.0 −60.9 −59.7\n(-)-iso-Borneol −73.2 −55.3 −77.7 −52.6 −51.0 −57.4\nα-Bulnesene −93.4 −89.3 −109.3 −115.7 −94.4 −95.3\nδ-Cadinene −79.5 −86.8 −105.1 −116.8 −94.8 −82.3\nΤ-Cadinol −87.8 −71.8 −117.7 −121.7 −86.0 −87.0\n(R)-Calamene −80.3 −84.4 −116.5 −120.4 −91.3 −87.7\n(S)-Calamene −80.1 −82.5 −116.2 −121.8 −93.0 −88.3\n(+)-Camphene −79.0 −62.1 −77.0 −75.9 −69.3 −67.5\n(-)-Camphene −77.7 −62.8 −75.2 −77.4 −71.3 −70.6\n(+)-Camphor −76.0 −57.0 −75.0 −49.0 −53.5 −54.1\n(-)-Camphor −80.0 −54.1 −74.4 −52.9 −61.2 −56.4\n(+)-δ-3-Carene −80.4 −64.2 −80.6 −88.0 −71.8 −72.5\n(-)-δ-3-Carene −82.0 −68.9 −84.4 −90.2 −72.8 −72.9\nCarvacrol −82.4 −77.7 −94.8 −106.7 −81.6 −87.5\nCarvacrol methyl ether −85.6 −79.3 −96.6 −111.5 −84.2 −93.6\n(+)-cis-Carveol −89.1 −77.3 −96.9 −109.4 −81.3 −87.6\n(-)-cis-Carveol −89.0 −82.1 −95.5 −109.0 −83.2 −89.4\n(R)-Carvone −86.0 −80.7 −94.6 −109.9 −83.5 −91.5\n(S)-Carvone −88.0 −77.2 −94.1 −105.9 −82.8 −87.2\n(E)-Caryophyllene −87.3 −60.4 −88.1 −87.3 −87.4 −78.6\nCaryophyllene oxide −95.1 −73.1 −90.1 −97.0 −83.8 −77.8\nCedrol −87.7 −63.1 −96.4 −84.4 −86.3 −70.9\nepi-Cedrol −84.0 −59.7 −83.3 −86.7 −80.0 −76.2\nChamazulene −95.2 −89.2 −123.0 −132.1 −98.9 −101.6\n(-)-cis-Chrystanthyl acetate −85.8 −63.7 −89.8 −73.8 −76.5 −71.5\n(-)-trans-Chrysanthenyl acetate −80.9 −69.7 −82.4 −78.5 −76.5 −68.6\n1,8-Cineole −69.3 −51.1 −73.2 −54.4 −49.4 −47.3\n(E)-Cinnamaldehyde −87.7 −77.6 −98.2 −110.1 −85.7 −89.5\n(E)-Cinnamyl acetate −95.9 −88.2 −107.4 −132.5 −94.6 −103.1\n(R)-Citronellal −98.1 −90.5 −109.3 −120.7 −88.3 −105.7\n(S)-Citronellal −95.0 −89.7 −108.5 −123.3 −86.9 −104.1\n(R)-Citronellol −91.0 −90.0 −108.2 −122.4 −88.6 −107.7\n(S)-Citronellol −92.5 −91.9 −108.5 −122.0 −90.3 −100.3\n(R)-Citronellyl formate −98.0 −93.5 −118.7 −129.5 −87.5 −108.5\n(S)-Citronellyl formate −99.7 −95.1 −111.2 −135.6 −91.5 −94.8\nα-Copaene −88.9 −69.9 −84.6 −78.7 −81.7 −61.9\nCostunolide −106.8 −87.5 −116.7 −120.1 −100.3 −89.1\n(R)-Cryptone −74.9 −68.1 −92.2 −100.0 −78.5 −80.8\n(S)-Cryptone −79.0 −68.5 −91.6 −100.7 −82.7 −79.6\nβ-Cubebene −99.8 −67.2 −106.9 −112.2 −93.9 −94.8\nCuminaldehyde −84.9 −79.1 −95.3 −109.1 −90.1 −89.5\nar-Curcumene −98.1 −87.5 −116.0 −125.7 −94.1 −95.3\nCurcumol −90.1 −67.6 −100.4 −88.0 −87.6 −81.5\nCurdione −96.4 −75.1 −99.3 −116.3 −91.0 −78.7\nCurzerene −96.4 −80.3 −109.4 −89.7 −91.1 −86.4\nm-Cymene −78.9 −73.1 −96.1 −99.1 −76.6 −88.0\no-Cymene −77.0 −61.9 −89.8 −97.8 −76.2 −77.2\np-Cymene −82.8 −73.2 −91.3 −96.8 −80.9 −84.3\n(E)-β-Damascenone −90.1 −80.5 −100.7 −105.4 −88.9 −80.0\n(2E,4E)-Decadienal −96.4 −87.0 −110.4 −129.7 −95.8 −114.8\nDodecanal −95.8 −83.7 −110.3 −127.3 −89.2 −108.9\nEremanthin −80.1 −87.9 −121.3 −132.4 −98.7 −91.8\nβ-Eudesmol −95.2 −76.1 −98.6 −114.1 −85.3 −87.1\nγ-Eudesmol −94.9 −78.2 −106.1 −105.2 −89.7 −89.1\nEugenol −90.4 −82.4 −103.9 −119.3 −87.3 −98.8\nEugenol methyl ether −93.6 −78.1 −106.3 −116.8 −89.3 −94.4\nEugenyl acetate −94.9 −83.4 −109.2 −126.1 −100.1 −104.6\n(E,E)-α-Farnesene −115.5 −103.7 −129.8 −131.8 −101.2 −111.4\n(E)-β-Farnesene −112.1 −103.2 −122.7 −131.8 −105.3 −108.6\n(E,E)-Farnesol −116.8 −96.2 −133.0 −135.6 −100.5 −109.0\n(+)-Fenchone −78.4 −60.5 −79.5 −79.8 −62.4 −69.9\n(-)-Fenchone −80.3 −61.5 −81.0 −84.2 −65.5 −60.7\nFlavesone −87.1 −56.0 −88.6 −92.1 −85.2 −80.3\nGeranial −96.5 −94.9 −111.7 −119.3 −92.1 −101.5\nGeraniol −95.5 −93.6 −109.7 −118.0 −94.3 −107.3\nGeranyl formate −100.2 −89.7 −115.4 −128.3 −94.8 −114.1\nGermacrene D −102.4 −88.8 −109.9 −116.5 −93.7 −90.0\nGermacrone −92.4 −68.3 −94.5 −102.9 −88.3 −80.0\nGuiaol −100.8 −88.5 −113.3 −107.5 −92.6 −94.0\nα-Gurjunene −80.6 −61.6 −84.6 −100.0 −83.6 −78.1\nβ-Gurjunene −89.3 −38.8 −80.3 11.3 −77.6 −71.1\nα-Himachalene −89.2 −67.9 −83.9 −96.3 −87.6 −73.4\nβ-Himachalene −81.9 −65.4 −96.1 −110.8 −91.4 −76.8\nHimachalol −91.5 −64.1 −81.2 −24.7 −81.7 −66.3\nα-Humulene −94.0 −80.0 −89.9 −113.6 −89.2 −82.5\nLeptospermone −89.6 −64.0 −92.2 −102.7 −88.8 −80.7\niso-Leptospermone −92.8 −63.0 −90.1 −99.4 −86.2 −78.2\n(R)-Limonene −86.2 −75.7 −92.4 −99.6 −81.7 −86.8\n(S)-Limonene −84.9 −77.6 −93.4 −99.8 −83.3 −87.3\n(R,S,R)-Limonene oxide −87.1 −76.0 −93.2 −110.7 −84.9 −86.3\n(S,R,R)-Limonene oxide −84.6 −68.8 −85.0 −84.3 −76.2 −69.8\n(S,R,S)-Limonene oxide −91.2 −73.8 −97.4 −93.6 −85.1 −87.9\n(R)-Linalool −95.5 −89.9 −116.6 −112.4 −90.3 −89.9\n(S)-Linalool −93.0 −88.9 −110.1 −111.9 −91.0 −95.7\n(R)-Linalyl acetate −96.9 −87.1 −107.1 −112.5 −87.1 −95.2\n(S)-Linalyl acetate −100.0 −90.5 −110.2 −114.3 −86.6 −87.1\np-Mentha-1(7),8-diene −83.3 −74.4 −93.6 −100.0 −82.9 −84.9\n(+)-Menthol −86.1 −66.4 −98.6 −106.1 −79.2 −90.8\n(-)-Menthol −81.0 −68.9 −97.5 −106.3 −80.5 −89.7\nMenthone −82.4 −72.0 −92.6 −98.2 −82.8 −83.5\niso-Menthone −79.9 −64.8 −88.2 −102.4 −75.1 −82.0\nα-Muurolene −91.2 −79.9 −95.6 −113.7 −90.0 −82.8\n(+)-γ-Muurolene −85.2 −77.0 −98.7 −113.9 −93.2 −78.7\n(-)-γ-Muurolene −83.1 −83.4 −96.9 −106.3 −82.9 −80.5\nMyrcene −90.4 −88.8 −109.0 −112.7 −90.3 −101.1\nNeral −95.1 −94.1 −111.1 −122.8 −90.9 −105.4\n(E)-Nerolidol −111.5 −101.8 −131.9 −131.3 −99.6 −110.5\n(E)-β-Ocimene −91.8 −89.4 −104.6 −116.4 −89.0 −97.0\n(Z)-β-Ocimene −89.7 −90.6 −106.8 −112.1 −90.3 −94.4\nOctanal −85.8 −79.8 −97.6 −112.0 −85.7 −102.7\n(R)-2-Octen-3-ol −84.3 −81.5 −106.9 −107.1 −83.3 −101.1\n(S)-1-Octen-3-ol −84.5 −82.4 −108.4 −105.9 −85.0 −99.5\n3-Octanone −84.2 −82.5 −102.6 −111.6 −82.9 −101.8\nPatchouli alcohol −75.1 −41.4 −71.1 100.1 −10.1 −49.2\n(R)-Phellandral −92.3 −79.3 −97.4 −108.1 −88.9 −89.5\n(S)-Phellandral −92.9 −79.9 −96.1 −109.2 −88.9 −88.8\n(R)-α-Phellandrene −84.0 −69.7 −94.7 −100.8 −82.4 −83.8\n(S)-α-Phellandrene −84.3 −69.6 −93.5 −99.4 −82.6 −80.6\n(R)-β-Phellandrene −82.2 −69.9 −93.5 −102.0 −80.6 −84.1\n(S)-β-Phellandrene −83.8 −69.0 −93.2 −100.5 −80.2 −81.2\nPhytol −112.8 −93.8 −132.4 −134.7 −102.4 −112.9\nPhytone −117.8 −92.1 −124.5 −131.1 −99.7 −107.2\n(+)-α-Pinene −74.2 −58.0 −73.4 −62.4 −62.5 −54.4\n(-)-α-Pinene −72.8 −58.3 −70.4 −64.6 −61.7 −57.2\n(+)-β-Pinene −70.9 −57.8 −74.0 −64.1 −60.9 −55.5\n(-)-β-Pinene −73.5 −58.4 −73.1 −65.0 −63.7 −57.0\n(+)-Pinocamphone −76.5 −58.2 −73.6 −53.1 −55.4 −63.6\n(-)-Pinocamphone −76.6 −66.1 −76.5 −65.9 −72.3 −62.7\n(+)-iso-Pinocamphone −75.3 −59.0 −76.6 −54.0 −59.1 −58.1\n(-)-iso-Pinocamphone −76.2 −59.6 −76.7 −56.4 −65.8 −56.2\n(+)-cis-Pinocarveol −75.7 −58.2 −75.2 −51.7 −57.5 −58.1\n(-)-cis-Pinocarveol −75.7 −63.9 −73.5 −52.5 −66.3 −54.5\n(+)-trans-Pinocarveol −77.5 −60.6 −76.5 −71.1 −63.9 −61.4\n(-)-trans-Pinocarveol −72.4 −58.6 −77.2 −71.4 −56.3 −62.6\n(+)-Piperitone oxide −88.5 −70.5 −100.5 −104.2 −80.4 −78.0\n(-)-Piperitone oxide −86.0 −73.6 −99.6 −104.5 −80.7 −83.8\n(-)-iso-Pulegol −85.1 −72.0 −93.5 −106.7 −83.5 −93.8\n(R)-Pulegone −81.8 −69.9 −90.3 −103.9 −78.4 −74.4\n(S)-Pulegone −79.7 −69.6 −89.3 −99.9 −81.5 −76.4\nRotundifolone −86.1 −72.1 −96.1 −100.0 −82.4 −72.1\n(+)-Sabinene −87.9 −66.6 −84.5 −92.1 −80.5 −78.2\n(-)-Sabinene −79.7 −68.4 −91.4 −96.0 −80.8 −75.8\ncis-Sabinene hydrate −88.1 −70.2 −84.5 −91.1 −72.3 −68.1\n(Z)-α-Santalol −108.5 −85.6 −113.4 −106.8 −96.8 −90.7\n(E)-β-Santalol −105.0 −90.2 −110.6 −113.3 −94.3 −94.0\n(Z)-β-Santalol −108.0 −85.3 −110.4 −110.9 −96.5 −92.6\nβ-Sesquiphellandrene −103.9 −92.2 −116.6 −127.5 −99.4 −98.3\nSpathulenol −95.9 −94.8 −97.7 −102.8 −84.3 −102.2\n(Z)-Spiroether −112.8 −85.5 −124.3 −136.1 −101.5 −102.9\nγ-Terpinene −84.3 −74.9 −93.4 −98.7 −82.8 −85.9\n(R)-Terpinen-4-ol −87.3 −66.7 −81.5 −94.0 −80.2 −72.2\n(S)-Terpinen-4-ol −87.1 −67.2 −78.9 −92.3 −80.2 −71.7\n(R)-α-Terpineol −82.0 −68.0 −80.3 −82.2 −77.6 −71.3\n(S)-α-Terpineol −76.9 −75.5 −103.6 −101.7 −86.6 −84.9\nTerpinolene −83.1 −69.8 −89.0 −101.8 −84.8 −72.9\n(-)-α-Thujone −81.4 −66.2 −84.9 −93.4 −72.6 −74.1\n(+)-β-Thujone −87.6 −66.4 −89.9 −102.9 −71.7 −86.9\nThymohydroquinone dimethyl ether −86.3 −75.8 −103.7 −116.0 −85.3 −95.5\nThymol −84.4 −70.8 −96.4 −107.1 −79.7 −91.8\n2-Undecanone −94.5 −90.2 −110.0 −129.7 −91.9 −107.6\nValencene −96.7 −75.1 −103.3 −114.7 −87.8 −76.6\n(+)-Verbenone −74.3 −64.5 −79.3 −71.6 −63.9 −72.3\n(-)-Verbenone −73.5 −63.1 −78.0 −65.3 −64.8 −59.3\nViridiflorene −81.9 −68.6 −102.1 −106.9 −73.1 −81.9\nα-Zingiberene −108.3 −90.9 −113.8 −123.4 −97.7 −99.9"}