0 B10R0.4 C=CCCCCCCC(=O)O 27146 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.4 CCCCCCCCB(O)O 29487 [0,0,0,0,0,0|3,0,1]=4 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|3,0,0]=3 4 B9R0.2 CC(=O)OCCCCCCl 3676 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.2 CC(C)CCCCCCBr 18956 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.2 CCCCCCCC(=O)[O-] 12870 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.45 CCCCCCCCCBr 3809 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.45 CCCCCCCCCI 3958 [1,0,0,0,0,0|2,0,1]=4 9 B11R0.30 CC(=O)OCCOCOC(C)=O 20686 [0,1,0,0,0,0|2,0,1]=4 10 B11R0.30 CC(=O)OCCOCOC(C)=O 44793 [0,1,0,0,0,0|2,0,1]=4 11 B11R0.40 CCCCCCCCC(O)CO 12680 [0,1,0,0,0,0|1,0,2]=4 12 B11R0.46 CCCCOC(=O)CCC(C)=O 11224 [0,1,0,0,0,0|2,0,1]=4 13 B11R0.147 CCCCC(O)CCCC(=O)O 9714 [0,1,0,0,0,0|2,0,0]=3 14 B11R0.148 CCCCCCCCCC(=O)[O-] 29720 [0,1,0,0,0,0|2,0,0]=3 15 B11R0.148 CCCCCCCCC[C@H](C)O 15557 [0,1,0,0,0,0|1,0,2]=4 16 B11R0.148 COCCOCCOCC(=O)O 31987 [0,1,0,0,0,0|3,0,0]=4 17 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 25501 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.91 CC(=O)CCN1CCOCC1 15916 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.91 CC(=O)\C=C\N1CCCCC1 13810 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.91 O=C(O)CCC1CCCCC1 20248 [0,0,0,1,0,0|2,0,0]=3 21 B11R1.91 O=C(O)CCC1CCNCC1 19136 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O 23253 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.172 O=C(O)CCCN1CCCC1 23548 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.193 COC[C@@H]1CCCN1C(N)=O 24403 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.742 O=C(O)CC1CCCCCC1 16200 [0,0,0,1,0,0|2,0,0]=3 26 B8R0.4 C#CCCCCCCC 13060 [2,0,0,0,0,0|0,0,2]=4 27 B8R0.4 CCCCCCCCI 3959 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.7 CC(=O)OCCCCCl 13100 [2,0,0,0,0,0|1,0,0]=3 29 B8R0.7 CCCCCCC(C)=O 26418 [2,0,0,0,0,0|0,0,0]=2 30 B8R0.7 CCCCCCC(C)O 21480 [2,0,0,0,0,0|0,0,2]=4 31 B8R0.7 CCCCCC[C@@H](C)N 6754 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.7 CCCCCC[C@@H](C)O 6072 [2,0,0,0,0,0|0,0,2]=4 33 B8R0.7 CCCCCC[C@H](C)N 6748 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.7 CCCCCC[C@H](C)O 17259 [2,0,0,0,0,0|0,0,2]=4 35 B8R0.7 CCCCCC[C@H](C)O 6073 [2,0,0,0,0,0|0,0,2]=4 36 B8R0.7 NCCCCCC(=O)O 35821 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.7 O=C(O)CCCCCBr 3777 [2,0,0,0,0,0|2,0,0]=4 38 B10R0.3 CCOC(=O)CCCC(C)=O 27277 [1,1,0,0,0,0|1,0,1]=4 39 B10R0.6 NCCCC[C@H](N)CC(=O)O 30079 [1,1,0,0,0,0|2,0,0]=4 40 B10R0.22 CCCCCCCS(=O)(=O)[O-] 25500 [1,1,0,0,0,0|2,0,0]=4 41 B10R0.74 CCCCCC#CC(=O)OC 45055 [1,1,0,0,0,0|0,0,2]=4 42 B10R0.75 CNCCCCC(N)C(=O)O 27554 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.71 CCCCCCCC#CCO 11035 [1,1,0,0,0,0|1,0,1]=4 44 B10R0.71 CCCCCCCCCCBr 2457 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.71 CCCCCCCCCCI 3942 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.71 CCCCOCCOCCO 12838 [1,1,0,0,0,0|1,0,1]=4 47 B12R0.4 CCCCCCCC(O)CC(=O)O 35410 [0,2,0,0,0,0|2,0,0]=4 48 B12R0.248 CCCCCCCCOC(=O)CN 12487 [0,2,0,0,0,0|0,0,0]=2 49 B12R0.248 COC(=O)CCCCCCCCO 18968 [0,2,0,0,0,0|1,0,0]=3 50 B12R0.234 O=C(O)CCCCCCCCCO 25651 [0,2,0,0,0,0|2,0,0]=4 51 B10R1.18 CC(=O)NC1CCNCC1 9227 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.18 CC(=O)OC1CCNCC1 35466 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.18 O=C(O)CC1CCNCC1 30432 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.18 O=C(O)CC1CCOCC1 9729 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.61 CN1CCCCC1C(=O)O 8006 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.66 O=C(Cl)CCC1CCCC1 21363 [1,0,0,1,0,0|1,0,0]=3 57 B10R1.7 NC1CCCCCNC1=O 14099 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.17 CCCCC1CCNCC1 2453 [1,0,0,1,0,0|1,0,1]=4 59 B10R1.17 CCCCC1CCNCC1 2488 [1,0,0,1,0,0|1,0,1]=4 60 B10R1.17 CCCCN1CCOCC1 16812 [1,0,0,1,0,0|1,0,1]=4 61 B10R1.17 CCOCC1CCCCN1 17612 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.29 CCCCN1CCCC1=O 9159 [1,0,0,1,0,0|2,0,0]=4 63 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 5760 [0,1,0,1,0,0|2,0,0]=4 64 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 16217 [0,1,0,1,0,0|2,0,0]=4 65 B12R1.252 O=C(O)CCCC1CCCCC1 15521 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.24 O=C1CN[C@@H]2CCCC[C@H]2N1 27658 [0,0,0,2,0,0|2,0,0]=4 67 B12R2.24 O=C1CN[C@H]2CCCC[C@@H]2N1 27657 [0,0,0,2,0,0|2,0,0]=4 68 B12R2.2918 O=C1CC2(CCCCC2)CN1 15198 [0,0,0,2,0,0|1,0,0]=3 69 B12R2.2918 O=C1CC2(CCCCC2)CN1 20713 [0,0,0,2,0,0|1,0,0]=3 70 B12R2.2918 O=C1CC2(CCNCC2)CN1 21045 [0,0,0,2,0,0|2,0,0]=4 71 B12R2.2918 O=C1CC2(CCNCC2)CN1 25393 [0,0,0,2,0,0|2,0,0]=4 72 B12R2.1661 CC(=O)OC1CC2C=CC1C2 21288 [0,0,0,2,0,0|0,0,2]=4 73 B12R2.1661 O=C(O)CC1CC2CCC1C2 21647 [0,0,0,2,0,0|2,0,0]=4