0 B11R0.46 CCCCCC(=O)OCC(C)C TS45502 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.46 CCCCCC(C)CCC(=O)O TS13225 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.46 CCCCCN(C)CCC(=O)O TS20826 [0,0,0,0,0,0|4,0,0]=4 3 B11R0.46 CCCCNC(=O)NCC(=O)O TS45774 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.46 CCCCOC(=O)C=CC(=O)[O-] TS45432 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.46 CCCCOC(=O)CCC(=O)C TS13190 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.4 CCCCC=CCOC(=O)C TS41636 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.4 CCCCCC=CCC(=O)O TS41642 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.4 CCCCCCCCC(=O)C TS10747 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.4 CCCCCCCCC(=O)Cl TS46204 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.4 CCCCCCCCC(=O)N TS10891 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.4 CCCCCCCCC(=O)O TS11031 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.4 CCCCCCCCC(=O)[O-] TS14628 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.4 CCCCOCCOC(=O)C TS11278 [1,0,0,0,0,0|1,0,1]=3 14 B10R0.78 CCCCC(=O)CCC(C)C TS10761 [1,0,0,0,0,0|1,0,1]=3 15 B10R0.78 CCCCC(=O)OCC(C)C TS11032 [1,0,0,0,0,0|2,0,1]=4 16 B10R0.78 CCCCC(C)CCC(=O)O TS41944 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.91 CCCCC(=O)OCCCC TS11023 [1,0,0,0,0,0|0,0,1]=2 18 B10R0.91 CCCCCC(=O)OCC=C TS41655 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.91 CCCCOC(=O)CN=C=O TS10841 [1,0,0,0,0,0|1,0,1]=3 20 B12R0.44 CC(C)CCOC(=O)CCC(=O)C TS48919 [0,1,0,0,0,0|0,0,0]=1 21 B12R0.141 C(CN)CNC(=O)[C@@H](CC(=O)O)N TS29757 [0,1,0,0,0,0|3,0,0]=4 22 B12R0.141 CCCCOC(=O)C(=C)CC(=O)O TS15599 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.1 CCCCCC1CCC(=O)CC1 TS44917 [0,0,0,1,0,0|2,0,1]=4 24 B12R1.54 C1CCN(C1)C(=O)CCC(=O)O TS45297 [0,0,0,1,0,0|2,0,0]=3 25 B12R1.2132 CCCCOC(=O)C1CC1(F)F TS14162 [0,0,0,1,0,0|2,0,1]=4 26 B10R0.6 CC(=O)CC(=O)OCCOC TS11211 [0,0,0,0,1,0|1,0,0]=2 27 B10R0.6 CCCCCC(=O)CC(=O)C TS10719 [0,0,0,0,1,0|1,0,0]=2 28 B10R0.6 CCCCCC(=O)CC(C)C TS10751 [0,0,0,0,1,0|2,0,1]=4 29 B10R0.6 CCCCOC(=O)CC(=O)C TS41890 [0,0,0,0,1,0|0,0,0]=1 30 B10R0.6 CCCCOC(=O)CC(C)C TS41947 [0,0,0,0,1,0|1,0,1]=3 31 B12R0.233 CCCCCC(=O)OCC=C(C)C TS48610 [0,0,0,0,0,1|2,0,1]=4 32 B12R0.233 CCCCCC(=O)OCCC(C)C TS48959 [0,0,0,0,0,1|2,0,1]=4 33 B9R0.2 CCCC=CCOC(=O)C TS37605 [2,0,0,0,0,0|1,0,1]=4 34 B9R0.2 CCCCC=CCC(=O)O TS37609 [2,0,0,0,0,0|1,0,1]=4 35 B9R0.2 CCCCCCCC(=C)C TS06520 [2,0,0,0,0,0|1,0,1]=4 36 B9R0.2 CCCCCCCC(=O)C TS06758 [2,0,0,0,0,0|0,0,1]=3 37 B9R0.2 CCCCCCCC(=O)Cl TS11637 [2,0,0,0,0,0|1,0,1]=4 38 B9R0.2 CCCCCCCC(=O)N TS40110 [2,0,0,0,0,0|1,0,1]=4 39 B9R0.2 CCCCCCCC(=O)O TS40219 [2,0,0,0,0,0|1,0,1]=4 40 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [2,0,0,0,0,0|1,0,1]=4 41 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [2,0,0,0,0,0|1,0,1]=4 42 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [2,0,0,0,0,0|1,0,1]=4 43 B9R0.2 CCCCCCOC(=O)C TS40201 [2,0,0,0,0,0|1,0,1]=4 44 B9R0.2 CCCCNCCC(=O)N TS07002 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.2 CCCCNCCC(=O)O TS40320 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.45 CCCCC=CCCCC TS06526 [2,0,0,0,0,0|1,0,1]=4 47 B9R0.45 CCCCC=CCCCC TS06534 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.45 CCCCCCCCC=O TS06760 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.18 CCCCC(=O)CCCC TS39918 [2,0,0,0,0,0|0,0,1]=3 50 B9R0.18 CCCCC(=O)OCC=C TS37596 [2,0,0,0,0,0|1,0,1]=4 51 B9R0.18 CCCCC(=O)OCCC TS06971 [2,0,0,0,0,0|0,0,1]=3 52 B9R0.18 CCCCS(=O)CCCC TS42514 [2,0,0,0,0,0|1,0,1]=4 53 B9R0.18 CCCC[Sn](=O)CCCC TS27846 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.18 CCCOC(=O)OCCC TS40429 [2,0,0,0,0,0|1,0,1]=4 55 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [2,0,0,0,0,0|0,0,0]=2 56 B9R0.48 CCCC(C)CCC(=O)C TS37638 [2,0,0,0,0,0|1,0,1]=4 57 B9R0.48 CCOC(=O)CCC(=O)C TS60125 [2,0,0,0,0,0|0,0,0]=2 58 B9R0.48 CCOC(=O)CCC(=O)N TS40295 [2,0,0,0,0,0|1,0,0]=3 59 B9R0.48 CCOC(=O)CCC(=O)[O-] TS40374 [2,0,0,0,0,0|1,0,0]=3 60 B9R0.48 CCOC(=O)CCC(C)C TS06969 [2,0,0,0,0,0|1,0,1]=4 61 B9R0.48 CCOC(=O)CCC(C)Cl TS09014 [2,0,0,0,0,0|1,0,1]=4 62 B9R0.48 CCOC(=O)CCN(C)C TS07109 [2,0,0,0,0,0|2,0,0]=4 63 B9R0.48 CCOC(=O)CC[N+](=O)[O-] TS40507 [2,0,0,0,0,0|2,0,0]=4 64 B9R0.48 CCOC(=O)CNC(=O)C TS40290 [2,0,0,0,0,0|1,0,0]=3 65 B9R0.48 CCOC(=O)CNC(=O)N TS40380 [2,0,0,0,0,0|2,0,0]=4 66 B9R0.5 CCCCCC(=O)CCC TS06764 [2,0,0,0,0,0|1,0,0]=3 67 B9R0.5 CCCCCC(=O)OCC TS06974 [2,0,0,0,0,0|2,0,0]=4 68 B9R0.5 CCCCOC(=O)CC#N TS06591 [2,0,0,0,0,0|1,0,1]=4 69 B9R0.5 CCCCOC(=O)CCC TS40200 [2,0,0,0,0,0|0,0,0]=2 70 B9R0.5 CCCCOC(=O)CCCl TS11957 [2,0,0,0,0,0|1,0,0]=3 71 B9R0.5 CCCCOC(=O)CCS TS11614 [2,0,0,0,0,0|0,1,0]=3 72 B11R0.40 CCCCCC=CCC(=O)OC TS12844 [1,1,0,0,0,0|1,0,1]=4 73 B11R0.40 CCCCCCCCC(=O)CC TS12886 [1,1,0,0,0,0|1,0,1]=4 74 B11R0.40 CCCCCCCCC(=O)OC TS45510 [1,1,0,0,0,0|1,0,1]=4 75 B11R0.148 CCCCC=CCCCC(=O)O TS45176 [1,1,0,0,0,0|2,0,0]=4 76 B11R0.148 CCCCCC=CCCC(=O)O TS45160 [1,1,0,0,0,0|2,0,0]=4 77 B11R0.148 CCCCCC=CCOC(=O)C TS45165 [1,1,0,0,0,0|1,0,1]=4 78 B11R0.148 CCCCCCCCCC(=O)C TS45200 [1,1,0,0,0,0|1,0,1]=4 79 B11R0.148 CCCCCCCCOC(=O)C TS45519 [1,1,0,0,0,0|1,0,1]=4 80 B11R0.148 CCCCOCCOCC(=O)O TS46093 [1,1,0,0,0,0|1,0,1]=4 81 B11R0.148 CCOCCOCCOC(=O)C TS46094 [1,1,0,0,0,0|1,0,1]=4 82 B11R0.85 CC(C)CCC(=O)CCC(C)C TS12883 [1,1,0,0,0,0|1,0,1]=4 83 B11R0.11 CCCCC(C(=O)CCCC)O TS45505 [1,1,0,0,0,0|1,0,1]=4 84 B11R0.81 CCCCCOC(=O)CCCC TS45500 [1,1,0,0,0,0|0,0,1]=3 85 B11R0.140 CCCCCC(=O)CCCCC TS45197 [1,1,0,0,0,0|1,0,1]=4 86 B11R0.140 CCCCNC(=O)NCCCC TS13240 [1,1,0,0,0,0|1,0,1]=4 87 B11R0.140 CCCCOC(=O)C=CC=CC TS44903 [1,1,0,0,0,0|0,0,2]=4 88 B11R0.140 CCCCOC(=O)OCCCC TS45810 [1,1,0,0,0,0|0,0,1]=3 89 B11R0.140 CCCCOS(=O)OCCCC TS17933 [1,1,0,0,0,0|1,0,1]=4 90 B11R0.6 CC(C)CCOC(=O)CC(=O)C TS13174 [0,1,0,0,1,0|0,0,0]=2 91 B11R0.6 CC(C)CCOC(=O)CC(C)C TS45520 [0,1,0,0,1,0|1,0,1]=4 92 B11R0.107 CCC(C)COC(=O)CC(C)C TS45499 [0,1,0,0,1,0|1,0,1]=4 93 B11R1.101 C1CCCCC(=O)CCCC1 TS59759 [1,0,0,1,0,0|1,0,1]=4 94 B11R1.1 CCCCC1CCC(=O)CC1 TS10476 [1,0,0,1,0,0|1,0,1]=4 95 B11R1.1 CCCCN1CCC(=O)CC1 TS10602 [1,0,0,1,0,0|2,0,0]=4 96 B11R1.465 CCCCC1=C(CCC1=O)C TS41187 [1,0,0,1,0,0|1,0,0]=3 97 B11R1.465 CCCCC1=C(CCC1=O)C TS43132 [1,0,0,1,0,0|1,0,0]=3 98 B11R1.1034 CCCCOC(=O)[C@H]1[C@@H](O1)C TS10979 [1,0,0,1,0,0|1,0,1]=4 99 B11R1.230 CCCCC1CC(=O)OC1=O TS10680 [0,0,0,1,1,0|2,0,0]=4 100 B13R1.342 C1CCN(C1)C(=O)CCCC(=O)O TS48726 [0,0,0,1,0,1|2,0,0]=4 101 B13R1.45 C1CCN(CC1)C(=O)CCC(=O)O TS48732 [0,1,0,1,0,0|2,0,0]=4 102 B13R1.45 C1CN(CCN1)C(=O)CCC(=O)O TS48888 [0,1,0,1,0,0|2,0,0]=4 103 B13R1.45 C1COCCN1C(=O)CCC(=O)O TS15776 [0,1,0,1,0,0|2,0,0]=4 104 B9R0.4 CC(=O)CC(=O)OCC=C TS06662 [1,0,0,0,1,0|0,0,2]=4 105 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [1,0,0,0,1,0|0,0,0]=2 106 B9R0.4 CCCCC(=O)CC(C)C TS37639 [1,0,0,0,1,0|1,0,1]=4 107 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [1,0,0,0,1,0|0,0,0]=2 108 B9R0.4 CCCOC(=O)CC(C)C TS40218 [1,0,0,0,1,0|1,0,1]=4 109 B9R0.47 CC(=C)C(=O)OCCOC TS06936 [0,0,0,0,2,0|2,0,0]=4 110 B9R0.47 CC(=C)C(=O)OCCSC TS11295 [0,0,0,0,2,0|2,0,0]=4 111 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [0,0,0,0,2,0|1,0,0]=3 112 B9R0.47 CCCCNC(=O)C(=C)C TS64944 [0,0,0,0,2,0|2,0,0]=4 113 B9R0.47 CCCCOC(=O)C(=C)C TS37597 [0,0,0,0,2,0|1,0,0]=3 114 B9R0.47 CCCCOC(=O)C(=C)F TS40404 [0,0,0,0,2,0|1,0,1]=4 115 B9R0.47 CCCCOC(=O)C(=O)C TS06949 [0,0,0,0,2,0|0,0,0]=2 116 B9R0.47 CCCCOC(=O)C(=O)N TS40299 [0,0,0,0,2,0|1,0,0]=3 117 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [0,0,0,0,2,0|1,0,1]=4 118 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,0,0,0,2,0|1,0,1]=4