0 B13R0.2 CCCCCC=CC=CC(=O)OCC TS53725 [0,0,0,0,0,0|0,0,2]=2 1 B13R0.2 CCCCCC=CCCC(=O)OCC TS18678 [0,0,0,0,0,0|0,0,4]=4 2 B13R0.2 CCCCCCCC=CC(=O)OCC TS54088 [0,0,0,0,0,0|0,0,0]=0 3 B13R0.2 CCCCCCCCCC(=O)CCC TS54094 [0,0,0,0,0,0|1,0,2]=3 4 B13R0.2 CCCCCCCCCC(=O)OC=C TS54076 [0,0,0,0,0,0|0,0,4]=4 5 B13R0.2 CCCCCCCCCC(=O)OCC TS19068 [0,0,0,0,0,0|0,0,2]=2 6 B13R0.2 CCCCCCCCOC(=O)CCS TS49497 [0,0,0,0,0,0|3,0,1]=4 7 B13R0.2 CCOC(=O)CCCCCCCCBr TS68924 [0,0,0,0,0,0|1,0,2]=3 8 B12R0.1 CCCCCCC#CC(=O)OCC TS48315 [1,0,0,0,0,0|0,0,2]=3 9 B12R0.1 CCCCCCCCC(=O)CCC TS48635 [1,0,0,0,0,0|1,0,1]=3 10 B12R0.1 CCCCCCCCC(=O)OCC TS48949 [1,0,0,0,0,0|0,0,1]=2 11 B12R0.1 CCCCCCCOC(=O)CCC TS48955 [1,0,0,0,0,0|2,0,0]=3 12 B12R0.1 CCOC(=O)CCCCCCCBr TS56136 [1,0,0,0,0,0|1,0,1]=3 13 B12R0.1 CCOC(=O)CCCCCCCCl TS20295 [1,0,0,0,0,0|1,0,1]=3 14 B12R0.5 CCCC=CCCCCCCCO TS48644 [1,0,0,0,0,0|2,0,1]=4 15 B12R0.5 CCCCC=CCCCCCCO TS48647 [1,0,0,0,0,0|2,0,1]=4 16 B12R0.5 CCCCCCCC=CC=CC=O TS14669 [1,0,0,0,0,0|2,0,1]=4 17 B12R0.248 CCCCCC=CC=CC(=O)OC TS15018 [1,0,0,0,0,0|0,0,2]=3 18 B12R0.248 CCCCCCCC=CC(=O)OC TS48606 [1,0,0,0,0,0|0,0,0]=1 19 B12R0.248 CCCCCCCCCC(=O)CC TS15346 [1,0,0,0,0,0|0,0,2]=3 20 B12R0.248 CCCCCCCCCC(=O)OC TS48954 [1,0,0,0,0,0|0,0,2]=3 21 B12R0.248 CCCCCCCCOC(=O)CBr TS28166 [1,0,0,0,0,0|2,0,1]=4 22 B12R0.248 CCCCCCCCOC(=O)CN TS23756 [1,0,0,0,0,0|2,0,1]=4 23 B12R0.248 COC(=O)CCCCCCCCO TS50771 [1,0,0,0,0,0|1,0,2]=4 24 B14R0.83 CCCCCCCCC(C(=O)OCC)Br TS54216 [0,1,0,0,0,0|0,0,2]=3 25 B14R0.181 CCCCCCCCOC(=O)C(C)CC TS21756 [0,1,0,0,0,0|2,0,1]=4 26 B14R0.391 CCCCCCCCCC(=O)OC(C)C TS21751 [0,1,0,0,0,0|0,0,2]=3 27 B14R0.393 CCCCCCCCC#CC(=O)OCC TS20982 [0,1,0,0,0,0|0,0,2]=3 28 B14R0.393 CCCCCCCCCCC(=O)CCC TS44249 [0,1,0,0,0,0|1,0,2]=4 29 B14R0.393 CCCCCCCCCCC(=O)OCC TS21753 [0,1,0,0,0,0|0,0,2]=3 30 B14R0.393 CCOC(=O)CCCCCCCCC=C TS44232 [0,1,0,0,0,0|0,0,3]=4 31 B14R0.493 CCCCCCCCCC(=O)CCCC TS21386 [0,1,0,0,0,0|1,0,2]=4 32 B14R0.493 CCCCCCCCCC(=O)OCCC TS21745 [0,1,0,0,0,0|0,0,2]=3 33 B14R1.26 CCCCCCCC1CCCC(=O)O1 TS18684 [0,0,0,1,0,0|2,0,1]=4 34 B14R1.216 CCCCCCCCN1CCCC1=O TS60154 [0,0,0,1,0,0|2,0,1]=4 35 B14R1.4408 C1CCCCCC(=O)NCCCCC1 TS18492 [0,0,0,1,0,0|1,0,2]=4 36 B14R1.7343 CCOC(=O)C=C1CCCCCCC1 TS18310 [0,0,0,1,0,0|0,0,0]=1 37 B11R0.3 CCCCCCC=CC=CCO TS44924 [2,0,0,0,0,0|1,0,1]=4 38 B11R0.3 CCCCCCCCC=CCO TS12884 [2,0,0,0,0,0|1,0,1]=4 39 B11R0.4 CCCC=CCCC(=O)OCC TS12853 [2,0,0,0,0,0|0,0,2]=4 40 B11R0.4 CCCCCC#CC(=O)OCC TS44904 [2,0,0,0,0,0|0,0,2]=4 41 B11R0.4 CCCCCC=CC(=O)OCC TS12851 [2,0,0,0,0,0|0,0,0]=2 42 B11R0.4 CCCCCCCC(=O)OCC TS45501 [2,0,0,0,0,0|0,0,0]=2 43 B11R0.4 CCCCCCOC(=O)CCC TS45526 [2,0,0,0,0,0|2,0,0]=4 44 B11R0.4 CCOC(=O)C=CCCCCCl TS51211 [2,0,0,0,0,0|1,0,0]=3 45 B11R0.4 CCOC(=O)CCCCCCBr TS26009 [2,0,0,0,0,0|1,0,0]=3 46 B11R0.4 CCOC(=O)CCCCCCN TS20825 [2,0,0,0,0,0|1,0,0]=3 47 B11R0.4 CCOC(=O)CCCCCCN TS45672 [2,0,0,0,0,0|1,0,0]=3 48 B11R0.40 CCCCCC=CCC(=O)OC TS12844 [2,0,0,0,0,0|0,0,2]=4 49 B11R0.40 CCCCCCC#CC(=O)OC TS12565 [2,0,0,0,0,0|0,0,2]=4 50 B11R0.40 CCCCCCC=CC(=O)OC TS45171 [2,0,0,0,0,0|0,0,0]=2 51 B11R0.40 CCCCCCCCC(=O)CC TS12886 [2,0,0,0,0,0|0,0,1]=3 52 B11R0.40 CCCCCCCCC(=O)OC TS45510 [2,0,0,0,0,0|0,0,1]=3 53 B11R0.148 B(C=CCCCCCCC)(O)O TS12749 [2,0,0,0,0,0|1,0,1]=4 54 B11R0.148 CCCCCCCC=CC(=O)O TS12863 [2,0,0,0,0,0|0,0,0]=2 55 B11R0.148 CCCCCCCCCC(=O)C TS45200 [2,0,0,0,0,0|0,0,2]=4 56 B11R0.148 CCCCCCCCCC(=O)O TS45503 [2,0,0,0,0,0|0,0,2]=4 57 B11R0.148 CCCCCCCCOC(=O)C TS45519 [2,0,0,0,0,0|1,0,1]=4 58 B13R0.66 CCCCCCCCC(=O)OCC=C TS54075 [1,1,0,0,0,0|0,0,2]=4 59 B13R0.66 CCCCCCCNC(=O)CCCO TS19254 [1,1,0,0,0,0|2,0,0]=4 60 B13R0.367 CCOC(=O)CCCCC(CCCl)Cl TS02267 [1,1,0,0,0,0|1,0,1]=4 61 B13R0.367 CCOC(=O)CCCCC(CCCl)O TS23593 [1,1,0,0,0,0|1,0,1]=4 62 B13R0.54 CCCCCCCC=CCOC(=O)C TS54089 [1,1,0,0,0,0|0,0,2]=4 63 B13R0.336 CCCCCCCCC=CCCCO TS54097 [1,1,0,0,0,0|1,0,1]=4 64 B13R0.338 CCCCCCOC(=O)C=CCCC TS54084 [1,1,0,0,0,0|2,0,0]=4 65 B13R0.274 CCCCCCCC(CC(=O)OC)O TS19446 [1,1,0,0,0,0|0,0,2]=4 66 B15R0.366 CCCCCCCCCCCC(=O)OCC TS52723 [0,2,0,0,0,0|0,0,2]=4 67 B15R0.366 CCOC(=O)CCCCCCCCCCBr TS58376 [0,2,0,0,0,0|0,0,2]=4 68 B15R0.88 CCCCCCCCCC(=O)OCC(C)C TS52715 [0,2,0,0,0,0|0,0,2]=4 69 B15R0.322 CCCCCCCC=CC(=O)OCCCC TS52387 [0,2,0,0,0,0|0,0,0]=2 70 B13R1.6 CCCCCCC1CCCC(=O)O1 TS48608 [1,0,0,1,0,0|2,0,0]=4 71 B13R1.42 CCOC(=O)C=CN1CCCCC1 TS32693 [1,0,0,1,0,0|1,0,0]=3 72 B13R1.42 CCOC(=O)CCN1CCCCC1 TS15479 [1,0,0,1,0,0|1,0,1]=4 73 B13R1.279 C1CCCCCC(=O)CCCCC1 TS48333 [1,0,0,1,0,0|1,0,1]=4 74 B13R1.279 C1CCCCCOC(=O)CCCC1 TS15332 [1,0,0,1,0,0|0,0,1]=3 75 B13R1.654 CCCCCCCC1CCCC1=O TS48328 [1,0,0,1,0,0|1,0,1]=4 76 B13R1.654 CCCCCCCC1CCOC1=O TS15321 [1,0,0,1,0,0|0,0,1]=3 77 B13R1.654 CCCCCCCN1CCCC1=O TS48467 [1,0,0,1,0,0|2,0,0]=4 78 B13R1.1575 CCOC(=O)C=C1CCCCCN1 TS48449 [1,0,0,1,0,0|1,0,0]=3 79 B13R1.1575 CCOC(=O)CC1CCCCCC1 TS48618 [1,0,0,1,0,0|0,0,1]=3 80 B13R1.27 CCCCCCCC1CCC(=O)O1 TS15334 [1,0,0,1,0,0|1,0,1]=4 81 B15R1.809 CCOC(=O)CC(=O)CC1CCCCC1 TS44210 [0,1,0,1,0,0|0,0,1]=3 82 B15R1.843 CCCCN1CCCCC1C(=O)OCC TS44388 [0,1,0,1,0,0|0,0,2]=4 83 B15R2.1356 CCOC(=O)[C@@H]1CC2CCCCC2N1 TS25469 [0,0,0,2,0,0|1,0,1]=4