0 B9R0.1 CC(=CCCC(=C)C=C)C TS06120 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.1 CC(C)CCCC(C)C=C TS06517 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.1 CC(CCC=C(C)C)C=O TS47322 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.1 CC(CCOC(=O)C)C=C TS06713 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.1 CC(CCOC(=O)C)OC TS40425 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.1 CCC(C)CCCC(C)C TS06782 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.7 CC(=O)OCCCC=C TS05339 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.28 CC(=C)CC=CC(=C)C TS32532 [1,0,0,0,0,0|0,0,3]=4 8 B8R0.28 CC(=C)CCCC(=C)C TS05046 [1,0,0,0,0,0|0,0,3]=4 9 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [1,0,0,0,0,0|0,0,3]=4 10 B8R0.28 CC(=CCCC(=O)C)C TS36151 [1,0,0,0,0,0|0,0,1]=2 11 B8R0.28 CC(=CCOC(=O)C)C TS05349 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.28 CC(C)CC=CC(=O)C TS05196 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.28 CC(C)CCCC(=C)C TS05218 [1,0,0,0,0,0|0,0,3]=4 14 B8R0.28 CC(C)CCCC(C)C TS05409 [1,0,0,0,0,0|0,0,3]=4 15 B8R0.28 CC(C)CCCC(C)N TS05490 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.28 CC(C)CCCC(C)O TS36534 [1,0,0,0,0,0|0,0,3]=4 17 B8R0.28 CC(C)CCNC(=O)C TS36434 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.28 CC(C)CCOC(=O)C TS05553 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.28 CC(C)OCCC(=O)C TS05569 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.28 C[C@@H](CCCC(C)C)N TS04561 [1,0,0,0,0,0|1,0,2]=4 21 B10R0.3 CC(=CCCC(=CC=C)C)C TS40927 [0,1,0,0,0,0|1,0,1]=3 22 B10R0.3 CC(=CCCC(=CC=O)C)C TS41186 [0,1,0,0,0,0|0,0,1]=2 23 B10R0.3 CC(=CCCC(=CCBr)C)C TS22188 [0,1,0,0,0,0|1,0,1]=3 24 B10R0.3 CC(=CCCC(=CCO)C)C TS00134 [0,1,0,0,0,0|0,0,2]=3 25 B10R0.3 CC(=CCCC(=CCS)C)C TS12905 [0,1,0,0,0,0|0,1,1]=3 26 B10R0.3 CC(CCC=C(C)C)CC=O TS41442 [0,1,0,0,0,0|0,0,0]=1 27 B10R0.3 CC(CCC=C(C)C)CCCl TS45882 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.3 CC(CCC=C(C)C)CCO TS10771 [0,1,0,0,0,0|0,0,2]=3 29 B10R0.3 C[C@@H](CCC=C(C)C)CC=O TS41429 [0,1,0,0,0,0|0,0,0]=1 30 B10R0.3 C[C@@H](CCC=C(C)C)CCO TS94780 [0,1,0,0,0,0|0,0,2]=3 31 B10R0.44 CC(=C[C@H](CC(=C)C=C)O)C TS10224 [0,1,0,0,0,0|1,0,2]=4 32 B10R0.65 CC(C)CCCC(C)(C=C)O TS10770 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.65 CCC(C)(CCC=C(C)C)O TS10754 [0,1,0,0,0,0|1,0,1]=3 34 B10R0.98 CC(=O)C(CCOC(=O)C)Cl TS14307 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.13 CC1=CCC(=C(C)C)CC1 TS37048 [0,0,0,1,0,0|1,0,1]=3 36 B10R1.13 C[C@@H]1CC[C@H](C=C1)C(=C)C TS06123 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.171 CC1(CC(CCO1)C=O)C TS39251 [0,0,0,1,0,0|1,0,1]=3 38 B10R1.301 CC1CCCC(C1=O)(C)C TS06508 [0,0,0,1,0,0|0,0,2]=3 39 B8R0.9 CCC(C)CCC(=O)C TS05381 [0,0,0,0,1,0|2,0,1]=4 40 B8R0.9 CCC(C)CCC(C)C TS05428 [0,0,0,0,1,0|1,0,2]=4 41 B7R0.1 C(CCC=O)CC=O TS29478 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.1 CC=CCCC=CC TS31853 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.1 CCC=CCCC=O TS04313 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.1 CCCCCC=CC TS31964 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.1 CCCCCCC=O TS32096 [2,0,0,0,0,0|0,0,2]=4 46 B7R0.3 CC=CCC(C)C=C TS31844 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.3 CCC(C)CC=CC TS31972 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.4 CC(=CCCC=C)C TS31846 [2,0,0,0,0,0|0,0,1]=3 49 B7R0.4 CC(=CCOC=O)C TS04439 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.4 CC(C)CCCC=C TS31960 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.4 CC(C)CCOC=O TS32212 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.4 CC=CCCC(=C)C TS04225 [2,0,0,0,0,0|0,0,1]=3 53 B7R0.4 CC=CCCC(C)C TS31977 [2,0,0,0,0,0|0,0,1]=3 54 B7R0.4 CCCC=CC(=O)C TS31936 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.4 CCCC=CC(C)C TS04365 [2,0,0,0,0,0|0,0,2]=4 56 B7R0.4 CCCCC=C(C)C TS04347 [2,0,0,0,0,0|0,0,0]=2 57 B7R0.4 CCCCCC(=C)C TS04340 [2,0,0,0,0,0|0,0,2]=4 58 B7R0.4 CCCCCC(=O)C TS32098 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.4 CCCCCC(C)C TS32120 [2,0,0,0,0,0|0,0,2]=4 60 B7R0.4 CCCCNC(=O)C TS32171 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.4 CCCCOC(=O)C TS32218 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.4 CCCCOC(=S)C TS05777 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.4 CCCCSC(C)C TS05791 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.4 CN(C)CCCC=O TS32154 [2,0,0,0,0,0|1,0,0]=3 65 B9R0.46 CCCCCCC(C)C=O TS02438 [1,1,0,0,0,0|0,0,2]=4 66 B9R0.47 CCCCCC(C)C(=O)O TS40214 [1,1,0,0,0,0|0,0,2]=4 67 B9R0.4 C[C@H](CCC=C)C=C(C)C TS06320 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.55 CC(=CCCC=C(C)C)C TS06325 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.55 CC(=O)CCCCC(=O)O TS06938 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.55 CC(=O)NCCCC(=O)O TS40285 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.55 CC(C)CCCCC(=O)O TS65177 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.55 CN(C)CCCCC(=O)O TS48163 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.56 CC(=CCCC(C)(C)O)C TS06746 [1,1,0,0,0,0|0,0,1]=3 74 B11R0.145 CC(CCC=C(C)C)C(=C)C=O TS43129 [0,1,0,0,0,1|0,0,2]=4 75 B11R0.6 CC(=CCCC(=CC(=O)O)C)C TS44900 [0,2,0,0,0,0|0,0,1]=3 76 B11R0.6 CC(C)CCCC(C)CC(=O)O TS45515 [0,2,0,0,0,0|0,0,2]=4 77 B11R0.6 CC(CCC=C(C)C)CC(=O)O TS12855 [0,2,0,0,0,0|0,0,0]=2 78 B11R0.6 CC(CCOC(=O)C)OC(=O)C TS45773 [0,2,0,0,0,0|2,0,0]=4 79 B11R0.6 C[C@@H](CCC=C(C)C)CC(=O)O TS45168 [0,2,0,0,0,0|0,0,0]=2 80 B11R0.174 CCC(=CCCC(=CC#N)C)C TS11757 [0,2,0,0,0,0|1,0,1]=4 81 B11R0.180 CC(CCCC(C)(C)O)CC=O TS13217 [0,2,0,0,0,0|0,0,2]=4 82 B11R0.320 CC(CCCC(C)(C)OC)C=O TS45504 [0,2,0,0,0,0|0,0,2]=4 83 B9R1.3 CC1CCCC(=O)C1=O TS05153 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.89 C1CCCC(CC1)C=O TS05193 [1,0,0,1,0,0|0,0,2]=4 85 B9R1.40 CC1(CCCCC1=O)C TS05203 [1,0,0,1,0,0|0,0,2]=4 86 B9R1.41 CC(=O)C1CCCC1=O TS36123 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.41 CC(=O)N1CCCC1=O TS36228 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.41 CC(C)N1CCCC1=O TS36238 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.48 C1CCC(=O)CC(=O)C1 TS36124 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,0,0,1,1,0|0,0,1]=3 91 B9R1.138 CC1CCC(C1=O)(C)C TS05175 [0,0,0,1,1,0|0,0,1]=3 92 B11R1.157 CC1CCOC(C1)C=C(C)C TS10494 [0,1,0,1,0,0|0,0,2]=4 93 B11R1.166 CC1CCC(=C(C)C)C(=O)C1 TS10208 [0,1,0,1,0,0|0,0,0]=2 94 B11R1.166 CC1CCC(C(=O)C1)C(C)C TS41433 [0,1,0,1,0,0|0,0,2]=4 95 B11R1.166 C[C@@H]1CC[C@H](C(=O)C1)C(C)C TS10495 [0,1,0,1,0,0|0,0,2]=4 96 B11R1.166 C[C@H]1CC[C@@H](C(=O)C1)C(C)C TS10488 [0,1,0,1,0,0|0,0,2]=4 97 B11R1.21 CC1CCC(CC1=O)C(C)C TS10483 [0,1,0,1,0,0|0,0,2]=4 98 B11R1.21 CC1CC[C@H](CC1=O)C(C)C TS10502 [0,1,0,1,0,0|0,0,2]=4 99 B11R1.22 CC1=CC[C@@H](CC1)[C@@H](C)CO TS10496 [0,1,0,1,0,0|0,0,2]=4 100 B11R1.1322 CC1(CCCC(C1=O)(C)C)C TS10478 [0,1,0,1,0,0|0,0,2]=4 101 B11R1.1073 CC1=C(CC(CC1)(C)C=O)C TS10228 [0,1,0,1,0,0|0,0,0]=2 102 B11R1.730 CC(=O)C1CCCC(C1)(C)C TS41435 [0,1,0,1,0,0|0,0,2]=4 103 B11R1.730 CC1(CC(CCO1)C(=O)O)C TS41910 [0,1,0,1,0,0|1,0,1]=4 104 B11R2.845 CC(=C1CC2CCC1C2)C TS06119 [0,0,0,2,0,0|1,0,1]=4 105 B7R0.6 CC(=C)CCC(=O)C TS04310 [1,0,0,0,1,0|0,0,2]=4 106 B7R0.6 CC(=CCC(=O)O)C TS04452 [1,0,0,0,1,0|1,0,1]=4 107 B7R0.6 CC(=O)CCC(=O)C TS00680 [1,0,0,0,1,0|1,0,1]=4 108 B7R0.6 CC(C)CCC(=C)C TS31967 [1,0,0,0,1,0|0,0,2]=4 109 B7R0.6 CC(C)CCC(=O)C TS32095 [1,0,0,0,1,0|0,0,2]=4 110 B7R0.6 CC(C)CCC(C)C TS04511 [1,0,0,0,1,0|0,0,2]=4 111 B7R0.6 CC(C)CCC(C)N TS04558 [1,0,0,0,1,0|1,0,1]=4 112 B7R0.6 CC(C)CCC(C)O TS32237 [1,0,0,0,1,0|0,0,2]=4 113 B7R0.6 CC(CCC(=C)C)O TS32103 [1,0,0,0,1,0|0,0,2]=4 114 B7R0.2 CC(=CN(C)C)C=O TS32017 [0,0,0,0,2,0|1,0,1]=4 115 B7R0.2 CC(C)CC(C)C=C TS04359 [0,0,0,0,2,0|1,0,1]=4