<p>Table S3 Observed and calculated log CBR values for organic compounds log log log log log No. CAS Chemical MOA CBRobs Kow 1/LC50 BCF CBRcal 1 000079-34-5 Tetrachloroethane 1 0.38 2.39 0.84 1.24 0.40 2 000095-50-1 1,2-dichlorobenzene 1 0.57 3.43 1.47 1.93 0.46 3 000120-82-1 1,2,4-Trichlorobenzene 1 0.35 4.02 1.89 2.32 0.43 4 000118-96-7 2,4,6-trinitrotoluene 3 -1.69 1.60 5 035572-78-2 2-amino-4,6-dinitrotoluene 3 -0.56 1.84 6 000108-95-2 Phenol 2 0.15 1.46 0.68 0.63 -0.05 7 000104-40-5 4-nonylphenol 2 -0.34 5.76 3.20 2.09 -1.11 8 000104-43-8 4-dodecylphenol 2 -0.56 7.91 9 00095-57-8 2-chlorophenol 2 0.16 2.15 1.03 1.09 0.06 10 000108-43-0 3-chlorophenol 2 0.47 2.50 1.30 1.32 0.02 11 000106-48-9 4-chlorophenol 2 0.27 2.39 1.37 1.24 -0.13 12 000576-24-9 2,3-dichlorophenol 2 0.31 2.84 13 000120-83-2 2,4-dichlorophenol 2 0.22 3.06 1.59 1.69 0.10 14 000583-78-8 2,5-dichlorophenol 2 -0.17 3.06 1.58 1.69 0.11 15 000591-35-5 3,5-dichlorophenol 2 -0.04 3.62 1.78 2.06 0.28 16 000933-78-8 2,3,5-trichlorophenol 2 -1.52 3.84 1.92 2.20 0.28 17 000095-95-4 2,4,5-trichlorophenol 2 -0.44 3.72 2.30 2.12 -0.18 18 000088-06-2 2,4,6-trichlorophenol 2 -0.08 3.69 1.94 2.10 0.16 19 000058-90-2 2,3,4,6-tetrachlorophenol 2 -0.45 4.45 2.49 2.60 0.11 20 000087-86-5 Pentachlorophenol 2 -0.51 5.12 3.11 3.05 -0.06 21 000100-02-7 4-nitrophenol 3 0.03 1.91 0.89 0.93 0.04 22 000051-28-5 2,4-dinitrophenol 3 -0.21 1.67 1.14 0.77 -0.37 23 000085-01-8 Phenanthrene 4 0.23 4.46 2.10 3.27 1.17 24 000052-68-6 Tricholofon 4 -3.00 0.51 25 013071-79-9 Terbufos 4 -3.13 4.48 4.34 2.62 -1.72 26 000058-89-9 Lindane 4 -0.85 3.72 27 000319-84-6 alpha-hexachlorocyclohexane 1 -0.99 3.72 28 008001-35-2 Toxaphene 4 -2.24 5.90 29 000136-85-6 5-Methylbenzotriazole 4 -1.57 1.71 Hexahydro-1,3,5-trinitro-1,3,5- 30 000121-82-4 4 -1.36 0.87 triazine 31 052645-53-1 Permethrin 4 -2.98 6.50 4.39 2.70 -1.69 32 000072-20-8 Endrin 4 -2.47 5.40 33 025155-30-0 Dodecylbenzene Sulfonate 4 -0.58 1.96 MOA: mode of toxic action. 1: baseline compound; 2: less inert compound; 3: reactive compound; 4: specifically acting compound. log CBRobs is the observed log CBR value; log 1/LC50 is the observed log 1/LC50 value; log Kow and log BCF are calculated by EPI Suite software; log CBRcal is calculated from log 1/LC50 and log BCF.</p><p>1</p>