Compounds TIRAP (4FZ5) DS MM-GBSA NHA LE Methylcyclohexane −3.814 −19.0091 7 2.72 Phenol −4.448 −21.4312 7 3.06 Sulcatone −2.879 −15.5041 9 1.72 Butanoic acid, 2,3-dimethyl-, ethyl ester −3.225 −19.8212 10 1.98 1,2-Cyclohexanedione −4.658 −18.7199 8 2.34 4-Methyl-1,5-heptadiene −0.875 −18.4864 8 2.31 Catechol −4.501 −22.731 8 2.84 Coumaran −4.133 −19.5103 9 2.17 Hydroquinone −5.072 −21.6796 8 2.71 p-Vinylguaiacol −3.458 −17.6974 11 1.61 Gamma-pyronene −3.944 −18.1058 10 1.81 4-Ethylresorcinol −5.971 −29.5938 10 2.96 2-(2-Hydroxy-2-phenylethyl)-3,5,6-trimethylpyrazine −4.304 −25.9223 18 1.44 Ethanone, 1-(3,4-dimethoxyphenyl)- −5.243 −24.616 13 1.89 Spathulenol — — — — Caryophyllene oxide — — — — Cyclopentanecarboxaldehyde, 2-methyl-3-methylene- −4.868 −20.8151 9 2.31 Epiglobulol — — — — 4(1H)-pyrimidinone, 6-hydroxy- −4.845 −15.1979 8 1.89 Cyclododecanone, 2-methylene- −2.974 −20.1319 14 1.44 2,3-Dehydro-4-oxo-7,8-dihydro-beta-ionone −4.032 −21.7031 15 1.45 Diepicedrene-1-oxide — — — — Coniferol −4.855 −32.2717 13 2.48 Methyl 6,9,12-hexadecatrienoate 0.105 −31.8802 19 1.68 Phytol 0.856 −29.859 21 1.42 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]- — — — — (Z,E)-Farnesol 0.289 −15.1735 16 0.95 Geranyl acetate −1.574 −25.783 24 1.07 Farnesol, acetate 0.333 −14.545 24 0.61 3-Furaldehyde −4.332 −17.5272 7 2.50 trans-13-Docosenamide −1.763 −31.4792 24 1.31 Squalene −1.678 −23.5817 30 0.79 Chola-5,22-dien-3-ol, (3.beta.,22Z)- −2.807 −23.4983 25 0.94 Curan-17-oic acid, 2,16-didehydro-20-hydroxy-19-oxo-, methyl ester — — — — Geranylgeraniol 0.085 −9.16848 21 0.44 2-Hydrazino-8-hydroxy-4-phenylquinoline −4.084 −24.5226 19 1.29 Cycloartenol −1.963 −29.9984 31 0.97 Ursa-9(11),12-dien-3-ol — — — — Urs-12-ene −2.561 −20.6408 30 0.69 Stigmast-4-en-3-one — — — — Ursa-9(11),12-dien-3-one −3.348 −39.9359 31 1.29 C(14a)-homo-27-nor-14-beta-gammaceran-3-alpha-ol — — — — Friedelin — — — — Longipinane, (E)- — — — — Lanosterol −1.716 −27.5587 31 0.89 Aspirin −4.343 −23.6086 13 1.82
