0 B10R0.4 C=CCCCCCCC(=O)O 27146 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.4 CCCCCCCCB(O)O 29487 [0,0,0,0,0,0|1,0,1]=2 2 B10R0.4 CCCCCCCCN(C)C 35306 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.4 NCCCCCCCC(=O)O 13165 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.4 NCCOCCOCC(=O)O 33692 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.2 CC(=O)OCCCCCCl 3676 [1,0,0,0,0,0|3,0,0]=4 6 B9R0.2 CCCCCCCC(=O)[O-] 12870 [1,0,0,0,0,0|0,0,1]=2 7 B9R0.45 BrCCCCCCCCBr 3905 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.45 C#CCCCCCCCO 13081 [1,0,0,0,0,0|0,0,3]=4 9 B9R0.45 CCCCC#CCCCO 13076 [1,0,0,0,0,0|0,0,3]=4 10 B9R0.45 CCCCCC#CCCO 13073 [1,0,0,0,0,0|0,0,3]=4 11 B9R0.45 CCCCCCC#CCO 13067 [1,0,0,0,0,0|0,0,3]=4 12 B9R0.45 CCCCCCCCCBr 3809 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.45 CCCCCCCCCI 3958 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.45 ICCCCCCCCI 3851 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.45 OCCCCCCCCO 36148 [1,0,0,0,0,0|1,0,1]=3 16 B11R0.40 CCCCCCCCC(O)CO 12680 [0,1,0,0,0,0|0,0,2]=3 17 B11R0.46 CCCCOC(=O)CCC(C)=O 11224 [0,1,0,0,0,0|2,0,1]=4 18 B11R0.147 CCCCC(O)CCCC(=O)O 9714 [0,1,0,0,0,0|0,0,0]=1 19 B11R0.148 CCCCCCCCCC(=O)[O-] 29720 [0,1,0,0,0,0|0,0,1]=2 20 B11R0.148 CCCCCCCCC[C@H](C)O 15557 [0,1,0,0,0,0|1,0,1]=3 21 B11R0.148 COCCOCCOCC(=O)O 31987 [0,1,0,0,0,0|2,0,0]=3 22 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 25501 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.90 O=C(O)CCC1NCCC1O 24474 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.90 O=C(O)CC[C@@H]1NCC[C@@H]1O 24473 [0,0,0,1,0,0|2,0,0]=3 25 B11R1.90 O=C(O)CC[C@@H]1NCC[C@H]1O 24472 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.90 O=C(O)CC[C@H]1NCC[C@@H]1O 24470 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.90 O=C(O)CC[C@H]1NCC[C@H]1O 24471 [0,0,0,1,0,0|2,0,0]=3 28 B11R1.91 CC(=O)CCN1CCOCC1 15916 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.91 O=C(O)CCC1CCCCC1 20248 [0,0,0,1,0,0|0,0,0]=1 30 B11R1.91 O=C(O)CCC1CCNCC1 19136 [0,0,0,1,0,0|1,0,0]=2 31 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O 23253 [0,0,0,1,0,0|1,0,0]=2 32 B11R1.172 O=C(O)CCCN1CCCC1 23548 [0,0,0,1,0,0|1,0,0]=2 33 B11R1.193 COC[C@@H]1CCCN1C(N)=O 24403 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.742 O=C(O)CC1CCCCCC1 16200 [0,0,0,1,0,0|0,0,0]=1 35 B8R0.4 BrCCCCCCCBr 3887 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.4 C#CCCCCCCC 13060 [2,0,0,0,0,0|0,0,2]=4 37 B8R0.4 CCCCC#CCCO 13072 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.4 CCCCCC#CCO 13066 [2,0,0,0,0,0|0,0,2]=4 39 B8R0.4 CCCCCCCCI 3959 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.4 CCCCC\C=C\CO 18916 [2,0,0,0,0,0|0,0,2]=4 41 B8R0.4 CCCOCCCCCl 1931 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.4 OCCCCCCCO 11489 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.7 CCCCCCB(O)O 29486 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.7 CCCCCCC(C)=O 26418 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.7 CCCCCCC(C)O 21480 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.7 CCCCCC[C@@H](C)O 6072 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.7 CCCCCC[C@H](C)O 17259 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.7 CCCCCC[C@H](C)O 6073 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.7 COCCOCC(=O)O 31986 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.7 NCCCCCC(=O)O 35821 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.7 O=C(O)CCCCCBr 3777 [2,0,0,0,0,0|1,0,0]=3 52 B10R0.6 NCCCC[C@H](N)CC(=O)O 30079 [1,1,0,0,0,0|1,0,0]=3 53 B10R0.22 CCCCCCCS(=O)(=O)[O-] 25500 [1,1,0,0,0,0|1,0,1]=4 54 B10R0.74 CCCCCC#CC(=O)OC 45055 [1,1,0,0,0,0|0,0,2]=4 55 B10R0.75 CNCCCCC(N)C(=O)O 27554 [1,1,0,0,0,0|1,0,0]=3 56 B10R0.97 O=C(O)CCCCCC(=O)O 20083 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.71 BrCCCCCCCCCBr 3900 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.71 CCCCCCC#CCCO 13074 [1,1,0,0,0,0|0,0,2]=4 59 B10R0.71 CCCCCCCC#CCO 11035 [1,1,0,0,0,0|0,0,2]=4 60 B10R0.71 CCCCCCCCCCBr 2457 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.71 CCCCCCCCCCI 3942 [1,1,0,0,0,0|1,0,1]=4 62 B10R0.71 CCCCOCCOCCO 12838 [1,1,0,0,0,0|1,0,1]=4 63 B10R0.71 ICCCCCCCCCI 3850 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.71 OCCCCCCCCCBr 23429 [1,1,0,0,0,0|0,0,1]=3 65 B12R0.4 CCCCCCCC(O)CC(=O)O 35410 [0,2,0,0,0,0|0,0,0]=2 66 B12R0.248 CCCCCCCCOC(=O)CN 12487 [0,2,0,0,0,0|1,0,0]=3 67 B12R0.248 COC(=O)CCCCCCCCO 18968 [0,2,0,0,0,0|0,0,0]=2 68 B12R0.248 OCCCCCCCCC(O)CO 32259 [0,2,0,0,0,0|0,0,2]=4 69 B12R0.234 CCCCCCCCCCB(O)O 26286 [0,2,0,0,0,0|1,0,1]=4 70 B12R0.234 O=C(O)CCCCCCCCCO 25651 [0,2,0,0,0,0|0,0,0]=2 71 B10R1.18 O=C(O)CC1CCNCC1 30432 [1,0,0,1,0,0|1,0,0]=3 72 B10R1.18 O=C(O)CC1CCOCC1 9729 [1,0,0,1,0,0|1,0,0]=3 73 B10R1.18 O=C(O)CN1CCOCC1 10332 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.61 CN1CCCCC1C(=O)O 8006 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.64 O=C(O)CC1NCCC1O 24458 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.64 O=C(O)C[C@@H]1NCC[C@@H]1O 24457 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.64 O=C(O)C[C@@H]1NCC[C@H]1O 24455 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.64 O=C(O)C[C@H]1NCC[C@@H]1O 24453 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.64 O=C(O)C[C@H]1NCC[C@H]1O 24456 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.66 O=C(Cl)CCC1CCCC1 21363 [1,0,0,1,0,0|1,0,0]=3 81 B10R1.7 NC1CCCCCNC1=O 14099 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.17 OCCCC1CCNCC1 16201 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.29 CCCCN1CCCC1=O 9159 [1,0,0,1,0,0|1,0,0]=3 84 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O 19269 [0,1,0,1,0,0|1,0,1]=4 85 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O 19603 [0,1,0,1,0,0|1,0,1]=4 86 B12R1.1 CCCCCC1CCC(O)CC1 20385 [0,1,0,1,0,0|1,0,1]=4 87 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 5760 [0,1,0,1,0,0|0,0,0]=2 88 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 16217 [0,1,0,1,0,0|0,0,0]=2 89 B12R1.252 O=C(O)CCCC1CCCCC1 15521 [0,1,0,1,0,0|0,0,0]=2 90 B12R1.255 O=C(O)CCCCC1CCSS1 14559 [0,1,0,1,0,0|1,0,0]=3 91 B12R1.255 O=C(O)CCCCC1CCSS1 6068 [0,1,0,1,0,0|1,0,0]=3 92 B12R2.24 O=C1CN[C@@H]2CCCC[C@H]2N1 27658 [0,0,0,2,0,0|2,0,0]=4 93 B12R2.24 O=C1CN[C@H]2CCCC[C@@H]2N1 27657 [0,0,0,2,0,0|2,0,0]=4 94 B12R2.2918 O=C1CC2(CCCCC2)CN1 15198 [0,0,0,2,0,0|2,0,0]=4 95 B12R2.2918 O=C1CC2(CCCCC2)CN1 20713 [0,0,0,2,0,0|2,0,0]=4 96 B12R2.2028 O=C1OC(=O)[C@@H]2CCCC[C@@H]12 8093 [0,0,0,2,0,0|1,0,1]=4 97 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 8094 [0,0,0,2,0,0|1,0,1]=4 98 B12R2.1362 O=C(O)C1NCC2CCCC21 9690 [0,0,0,2,0,0|1,0,0]=3 99 B12R2.1362 O=C(O)[C@H]1NC[C@@H]2CCC[C@H]12 25314 [0,0,0,2,0,0|1,0,0]=3 100 B12R2.1661 O=C(O)CC1CC2CCC1C2 21647 [0,0,0,2,0,0|0,0,0]=2