1 DK0 (2~{R})-1-phenylpropan-2-ol 1.000 2 3H0 Propylbenzene 0.900 3 HY1 Phenylacetaldehyde 0.900 4 PEL 2-phenyl-ethanol 0.900 5 4WC (S)-cyclohexyl lactic acid 0.833 6 A1CDU (2s)-2-hydroxy-3-phenylpropanamide 0.833 7 HF2 (2r)-2-hydroxy-3-phenylpropanoic acid 0.833 8 HFA Alpha-hydroxy-beta-phenyl-propionic acid 0.833 9 JNV 1-(3,4-dichlorophenyl)propan-2-one 0.833 10 PPY 3-phenylpyruvic acid 0.833 11 1DJ (1r)-1-phenylprop-2-yn-1-ol 0.818 12 1WE (2s)-1-phenylpropan-2-amine 0.818 13 2LP 2-allylphenol 0.818 14 3GY (2r)-butan-2-ylbenzene 0.818 15 3PL 3-phenylpropanal 0.818 16 4FA 4-fluorophenethyl alcohol 0.818 17 9Y3 (2z)-3-phenylprop-2-enal 0.818 18 9Y6 (2e)-3-phenylprop-2-enal 0.818 19 FEH (1r)-1-phenylethane-1,2-diol 0.818 20 FRD 1-phenyl-2-aminopropane 0.818 21 HXT 2-hydroxy-1-phenylethanone 0.818 22 I1E 1-phenylpropan-1-one 0.818 23 I4B Isobutylbenzene 0.818 24 JZ4 2-propylphenol 0.818 25 LT1 (3-chloropropyl)benzene 0.818 26 N4B N-butylbenzene 0.818 27 PAC 2-phenylacetic acid 0.818 28 PRA 3-phenylpropylamine 0.818 29 PRY 2-propyl-aniline 0.818 30 YGM (but-3-en-1-yl)benzene 0.818 31 YGS (2-methylprop-2-en-1-yl)benzene 0.818 32 YRL 4-(2-hydroxyethyl)phenol 0.818 33 PYJ Phenylethane 0.800 34 SYN Ethenylbenzene 0.800 35 34H (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid 0.769 36 56D (3r)-2-oxo-3-phenylbutanoic acid 0.769 37 9O6 (2r,3s)-3-fluoro-2-hydroxy-3-phenylpropanoic acid 0.769 38 A1LWQ 3-(4-aminophenyl)-2-oxidanylidene-propanoic acid 0.769 39 EN1 (2e)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid 0.769 40 ENO 3-(4-hydroxy-phenyl)pyruvic acid 0.769 41 LVC 4-(2-oxopropyl)benzoic acid 0.769 42 M74 (2s,3r)-2,3-dihydroxy-3-phenylpropanoic acid 0.769 43 QBS (2r)-2-(4-chlorophenyl)-3-oxobutanenitrile 0.769 44 TA2 (2r,3s)-3-amino-3-phenylpropane-1,2-diol 0.769 45 TYF (2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid 0.769 46 004 (2s)-amino(phenyl)ethanoic acid 0.750 47 173 Benzoyl-formic acid 0.750 48 269 (1r)-3-chloro-1-phenylpropan-1-ol 0.750 49 3H2 Pentylbenzene 0.750 50 3HP 3-hydroxyphenylacetate 0.750 51 3QM [(2r)-2-nitrosopropyl]benzene 0.750 52 4DD (2r)-4-phenylbutan-2-amine 0.750 53 4HP 4-hydroxyphenylacetate 0.750 54 8OZ 2-phenylacrylic acid 0.750 55 975 4-(2-hydroxyethyl)benzene-1,2-diol 0.750 56 9RW (2~{S})-2-phenylpropanoic acid 0.750 57 A1ED8 2-(4-hydroxyphenyl)ethanamide 0.750 58 A1EDY 2-(4-aminophenyl)ethanoic acid 0.750 59 A1H7R (2s)-1-(4-bromophenyl)propan-2-amine 0.750 60 A1ICA (2e)-3-(4-chlorophenyl)prop-2-enal 0.750 61 AEG 4-[(2r)-2-aminopropyl]phenol 0.750 62 B40 (2s)-N-methyl-1-phenylpropan-2-amine 0.750 63 BPW 3-(4-chlorophenyl)propan-1-amine 0.750 64 CHG Cyclohexyl-glycine 0.750 65 CXP Cyclohexane propionic acid 0.750 66 DH6 Cinnamide 0.750 67 DIJ 3-(4-bromophenyl)propanal 0.750 68 GRO R-2-phenyl-proprionic acid 0.750 69 H4Q 4-[(2~{R})-butan-2-yl]phenol 0.750 70 HCI Hydrocinnamic acid 0.750 71 JMD 4-(2-hydroxyethyl)benzonitrile 0.750 72 JQ8 Phenylpropiolic acid 0.750 73 K7M (2r)-N-hydroxy-1-phenylpropan-2-amine 0.750 74 KTA (S)-cyclohexanone-2-acetate 0.750 75 LYL 2-allyl-6-methyl-phenol 0.750 76 NPU (1r,2r)-2-amino-1-phenylpropan-1-ol 0.750 77 OHP (2-hydroxyphenyl)acetic acid 0.750 78 P18 3-hydroxy-1-phenylpropan-1-one 0.750 79 PBN 4-phenylbutylamine 0.750 80 PG9 D-phenylglycine 0.750 81 PHA Phenylalaninal 0.750 82 PHL L-phenylalaninol 0.750 83 R9S 2-(2-methylphenyl)acetamide 0.750 84 RMN (R)-mandelic acid 0.750 85 RTD (2r)-phenyl(sulfanyl)ethanoic acid 0.750 86 SMN (S)-mandelic acid 0.750 87 SYG 2-[(1~{S})-1-azanylpropyl]phenol 0.750 88 T9G 2-[(1r)-1-aminopropyl]phenol 0.750 89 TCA Phenylethylenecarboxylic acid 0.750 90 VOE (2r)-2-phenylbutan-1-amine 0.750 91 W6L (3r)-3-amino-3-phenylpropanenitrile 0.750 92 4VP 4-ethenylphenol 0.727 93 98B (1s)-1-phenylethanamine 0.727 94 A1ATB (propan-2-yl)benzene 0.727 95 A1ATC [(1s)-1-chloroethyl]benzene 0.727 96 A1C1V [(1r)-1-chloroethyl]benzene 0.727 97 AC0 1-phenylethanone 0.727 98 CEE (2-chloroethyl)benzene 0.727 99 E8N 1-ethyl-1-methyl-cyclohexane 0.727 100 ETY 4-ethylphenol 0.727 101 JZ1 2-ethylphenol 0.727 102 PEA 2-phenylethylamine 0.727 103 QSC (1r)-1-phenylethanamine 0.727 104 SS1 1-phenylethanol 0.727 105 SS2 (1r)-1-phenylethanol 0.727 106 295 (2s,3s)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid 0.714 107 9NL (2r)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid 0.714 108 M72 (2r,3r)-2-hydroxy-3-methoxy-3-phenylpropanoic acid 0.714 109 TO9 (2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoic acid 0.714 110 A1ADL 1-methylcyclohex-1-ene 0.700 111 MBN Toluene 0.700 112 QTE Methylcyclohexane 0.700