0 B11R1.40 CC(C=O)CC1CCCCC1 2215-1-06 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 CCC(=O)OC1CCCCC1 2223-1-0W [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 COC(=O)CC1CCOCC1 2H23-1-1G [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 N[C@@H](CO)CC1CCCCC1 4256-1-RU [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 N[C@H](CO)CC1CCCCC1 4256-1-SU [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 BrCCCN1CCCCC1 3H32-9-AE [1,0,0,0,0,0|3,0,0]=4 6 B10R1.17 CCCCC1CCCCN1 3H33-5-1V [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 CCCCC1CCNCC1 3H31-5-21 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CCCCN1CCOCC1 4H32-1-0S [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CCCNC1CCOCC1 4H31-1-1D [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 CCCOC1CCNCC1 4H33-5-0D [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 COCCC1CCNCC1 4H56-1-804 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 COCCC1CCNCC1 4H56-5-C1 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 ClCCCN1CCCCC1 3H32-5-27 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 N#CCCN1CCCCC1 3H37-1-4D [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 NCCOC1CCCCC1 4233-5-01 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 NNCCN1CCCCC1 3H39-1-31 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 OCCCC1CCCCC1 2201-1-0C [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 OCCCC1CCCCN1 4H01-5-2H [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 OCCCC1CCNCC1 4H01-1-BB [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 OCCNC1CCCCC1 4256-1-99 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 OCCOC1CCCCC1 2207-1-02 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.18 CC(C)CC1CCCCN1 3H31-5-BD [1,0,0,0,0,0|1,0,0]=2 23 B10R1.18 CC(C)N[C@H]1CCCNC1 3H31-5-S1 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.18 CC(C)OC1CCNCC1 4H07-1-3U [1,0,0,0,0,0|2,0,0]=3 25 B10R1.18 CC(N)CN1CCCCC1 3H30-1-VU [1,0,0,0,0,0|1,0,0]=2 26 B10R1.18 CN(C)CC1CCCCN1 3H32-5-LA [1,0,0,0,0,0|2,0,0]=3 27 B10R1.18 CN(C)CC1CCCNC1 3H32-1-3P [1,0,0,0,0,0|2,0,0]=3 28 B10R1.18 CN(C)CC1CCNCC1 3H31-1-W6 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.18 CN(C)CC1CNCCO1 4H30-5-0L [1,0,0,0,0,0|3,0,0]=4 30 B10R1.18 CN(C)CC1COCCN1 4H30-5-0M [1,0,0,0,0,0|3,0,0]=4 31 B10R1.18 CN(C)C[C@H]1CNCCO1 4H56-5-RN [1,0,0,0,0,0|3,0,0]=4 32 B10R1.18 NC(=O)CC1CCOCC1 4H48-1-3S [1,0,0,0,0,0|2,0,1]=4 33 B10R1.18 NC(=O)NC1CCCCC1 4253-1-02 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.18 OB(O)CC1CCCCC1 6260-1-05 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.43 NC(CC1CCCCC1)C(=O)O 4257-1-0J [0,1,0,0,0,0|3,0,0]=4 36 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 4257-1-30 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.118 CCN(CC)CC1CCCCN1 3H32-1-LZ [0,1,0,0,0,0|3,0,0]=4 38 B12R1.118 COC(CN1CCOCC1)OC 4H56-1-BF [0,1,0,0,0,0|3,0,0]=4 39 B10R0.74 CCCCCCCC(=O)CC 2117-1-07 [0,0,1,0,0,0|2,0,1]=4 40 B10R0.74 CCCCCCCC(=O)OC 2123-1-50 [0,0,1,0,0,0|2,0,1]=4 41 B12R2.24 BrC1CCC2CNCCC2C1 3H31-9-11 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.24 O=C1CCC2CCCCC2C1 2217-1-27 [0,0,0,1,0,0|2,0,1]=4 43 B12R2.24 OC1CCC2CCCCC2C1 2202-1-1C [0,0,0,1,0,0|2,0,0]=3 44 B12R2.2058 C1CN(CC2CCNCC2)C1 4H32-3-03 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.2918 O=C1CC2(CCCCC2)CN1 4H48-1-JW [0,0,0,1,0,0|1,0,1]=3 46 B12R2.2918 O=C1CC2(CCCNC2)CN1 4H48-1-0AB [0,0,0,1,0,0|2,0,1]=4 47 B12R2.2918 O=C1CC2(CCNCC2)CN1 4H48-1-68 [0,0,0,1,0,0|2,0,1]=4 48 B12R2.2918 O=C1CC2(CCOCC2)CN1 4H48-1-AR [0,0,0,1,0,0|2,0,1]=4 49 B10R1.15 C=CC(O)C1CCCCC1 2302-1-01 [0,0,0,0,1,0|2,0,1]=4 50 B10R1.15 COC(=O)C1CCCCC1 2223-1-56 [0,0,0,0,1,0|2,0,1]=4 51 B10R1.15 N=C(NO)C1CCCCC1 4247-1-14 [0,0,0,0,1,0|2,0,1]=4 52 B10R1.15 NC(CO)C1CCCCC1 4256-5-0G [0,0,0,0,1,0|3,0,0]=4 53 B10R1.15 N[C@@H](CO)C1CCCCC1 4256-1-38 [0,0,0,0,1,0|3,0,0]=4 54 B10R1.27 CC(CO)CN1CCCC1 4H01-1-DB [0,0,0,0,1,0|3,0,0]=4 55 B12R1.27 OC(CCl)CNC1CCCCC1 4256-5-13 [0,0,0,0,0,1|3,0,0]=4 56 B9R0.4 CCCCC(C)CC(C)C 1100-1-29 [1,0,1,0,0,0|0,0,0]=2 57 B9R0.18 CCCCC(O)CCCC 2102-1-06 [1,0,1,0,0,0|2,0,0]=4 58 B9R0.46 CCCCCCC(O)CC 2102-1-10 [1,0,1,0,0,0|2,0,0]=4 59 B9R0.2 C=C(C)CCCCCCC 1300-1-34 [1,0,1,0,0,0|0,0,2]=4 60 B9R0.2 CCCCCCCC(C)O 2102-1-09 [1,0,1,0,0,0|1,0,0]=3 61 B9R0.2 CCCCCCC[C@@H](C)O 2102-1-R2 [1,0,1,0,0,0|1,0,0]=3 62 B9R0.2 CCCCCCC[C@H](C)O 2102-1-S2 [1,0,1,0,0,0|1,0,0]=3 63 B9R0.45 CCCCCCCCCC 1100-1-38 [1,0,1,0,0,0|1,0,0]=3 64 B9R0.45 CCCCCCCCCN 3130-1-13 [1,0,1,0,0,0|2,0,0]=4 65 B9R0.45 CCCCCCCCNC 3131-1-09 [1,0,1,0,0,0|0,0,0]=2 66 B9R0.45 CCCCCCCCOC 2107-1-00 [1,0,1,0,0,0|1,0,0]=3 67 B9R0.45 CCCCCCCC[Mg]Cl 9112-5-07 [1,0,1,0,0,0|2,0,0]=4 68 B9R0.45 CCCCCCCC[Mg]Cl 9112-5-08 [1,0,1,0,0,0|2,0,0]=4 69 B9R0.45 CCCCCCCC[Mg]Cl 9112-5-09 [1,0,1,0,0,0|2,0,0]=4 70 B9R1.8 BrCCC1CCOCC1 2H10-9-55 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.8 BrCCN1CCCCC1 3H32-9-E6 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.8 C#CCC1CCCCC1 1500-1-16 [2,0,0,0,0,0|0,0,2]=4 73 B9R1.8 CCCC1CCCCN1 3H31-1-AM [2,0,0,0,0,0|1,0,0]=3 74 B9R1.8 CCCC1CCNCC1 3H31-1-Q5 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.8 CCCN1CCNCC1 3H32-1-3K [2,0,0,0,0,0|2,0,0]=4 76 B9R1.8 CCN[C@@H]1CCCNC1 3H31-5-R1 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.8 CCOC1CCCNC1 4H07-1-3T [2,0,0,0,0,0|2,0,0]=4 78 B9R1.8 CNCC1CCCCC1 3231-1-0C [2,0,0,0,0,0|0,0,0]=2 79 B9R1.8 CNCC1CCCCO1 4H31-1-1B [2,0,0,0,0,0|1,0,0]=3 80 B9R1.8 CNCC1CCSCC1 7H31-1-13 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.8 COCC1CCCCN1 4H07-1-6G [2,0,0,0,0,0|2,0,0]=4 82 B9R1.8 COCC1CCCNC1 4H07-5-1E [2,0,0,0,0,0|2,0,0]=4 83 B9R1.8 COCC1CCCNC1 4H56-1-964 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.8 COCC1CCNCC1 4H56-1-0S1 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.8 CSCC1CCCCN1 7H66-5-0X [2,0,0,0,0,0|2,0,0]=4 86 B9R1.8 CSCN1CCCCC1 7H66-1-28 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.8 ClCCC1CCCCC1 1200-5-15 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.8 ClCCN1CCCCC1 3H32-5-00 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.8 ClCCN1CCCCC1 3H32-5-2W [2,0,0,0,0,0|2,0,0]=4 90 B9R1.8 ClCOC1CCCCC1 2207-5-00 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.8 N#CCC1CCCCC1 3237-1-0D [2,0,0,0,0,0|0,0,2]=4 92 B9R1.8 NCCC1CCCCC1 3233-5-02 [2,0,0,0,0,0|0,0,0]=2 93 B9R1.8 NCCC1CCCCO1 4H30-1-13 [2,0,0,0,0,0|1,0,0]=3 94 B9R1.8 NCCC1CCCCO1 4H33-5-0P [2,0,0,0,0,0|1,0,0]=3 95 B9R1.8 NCCC1CCNCC1 3H31-5-01 [2,0,0,0,0,0|1,0,0]=3 96 B9R1.8 NCCC1CCOCC1 4H30-1-W3 [2,0,0,0,0,0|1,0,0]=3 97 B9R1.8 NCCC1CCOCC1 4H30-5-18 [2,0,0,0,0,0|1,0,0]=3 98 B9R1.8 NCCN1CCSCC1 7H66-1-Y2 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.8 NNCC1CCOCC1 4H39-5-75 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.8 NOCC1CCCCC1 4247-1-01 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.8 OCCC1CCCCC1 2201-1-0F [2,0,0,0,0,0|1,0,0]=3 102 B9R1.8 OCCC1CCCCN1 4H56-1-911 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.8 OCCC1CCOCC1 2H10-1-Y5 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.8 OCC[C@H]1CCCCN1 4H56-1-R20 [2,0,0,0,0,0|2,0,0]=4 105 B11R0.4 CCCCCCC[C@H](C)N=C=S 7168-1-S4 [0,1,1,0,0,0|0,0,2]=4 106 B11R1.1 CCCCC1CCC(O)CC1 2202-1-1D [1,1,0,0,0,0|1,0,0]=3 107 B11R1.1 CCCCN1CCC(O)CC1 4H02-1-07 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.16 C=CCC(O)C1CCCCC1 2302-1-02 [1,1,0,0,0,0|1,0,1]=4 109 B11R1.16 NC(CCO)C1CCCCC1 4256-1-44 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.28 CCNCCC1=CCCCC1 3431-1-X1 [1,1,0,0,0,0|0,0,2]=4 111 B11R1.28 CCNCCN1CCCCC1 3H31-1-C4 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.28 NCCCCC1CCNCC1 3H30-1-4B [1,1,0,0,0,0|2,0,0]=4 113 B11R1.28 OCCCCC1CCCCN1 4H01-1-AS [1,1,0,0,0,0|2,0,0]=4 114 B11R1.28 OCCCCC1CCNCC1 4H01-1-AG [1,1,0,0,0,0|2,0,0]=4 115 B11R1.91 CC(=O)OCC1CCCCC1 2223-1-0V [1,1,0,0,0,0|2,0,0]=4 116 B11R1.91 CN(C)CCC1CCCCN1 3H31-1-8N [1,1,0,0,0,0|1,0,0]=3 117 B11R1.91 CN(C)CCN1CCNCC1 3H31-1-V8 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.91 O=C(O)CCC1CCCCC1 2221-1-0D [1,1,0,0,0,0|2,0,0]=4 119 B11R1.91 OB(O)CCC1CCCCC1 6260-1-04 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.20 CC(C)CN1CCC(=O)CC1 4H17-1-64 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.20 CC(C)CN1CCC(N)CC1 3H33-5-1Y [1,1,0,0,0,0|1,0,0]=3 122 B11R1.20 CN(C)CC1CCN(C)CC1 3H32-5-3H [1,1,0,0,0,0|2,0,0]=4 123 B11R1.86 CN(C)CC1CCCCC1=O 4256-5-00 [1,1,0,0,0,0|1,0,1]=4 124 B11R1.509 CC(C)(C)CC1CCCCN1 3H31-1-F2 [1,1,0,0,0,0|1,0,0]=3 125 B11R1.509 CC(C)(N)CN1CCOCC1 4H56-1-1J [1,1,0,0,0,0|2,0,0]=4 126 B11R1.509 C[C@](N)(O)C[C@H]1CCCOC1 4H56-1-889 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.12 CCC(CC)C1CCCCN1 3H31-1-G5 [0,1,0,0,1,0|2,0,0]=4 128 B11R1.12 CCN(CC)C1CCCCC1 3232-1-04 [0,1,0,0,1,0|2,0,0]=4 129 B13R1.1001 CCN(CC)CC1CCCCCN1 3H32-1-ME [0,1,0,0,0,1|2,0,0]=4 130 B11R1.101 OC1CCCCCCCCC1 2201-1-02 [0,0,1,1,0,0|2,0,0]=4 131 B11R1.381 CCC1CCCCC(=O)N1C 4H48-1-K4 [0,0,1,1,0,0|1,0,1]=4 132 B11R2.20 C1CCC2NCCCC2C1 3H31-1-CV [1,0,0,1,0,0|2,0,0]=4 133 B11R2.20 C1CCN2CCNCC2C1 3H32-1-T1 [1,0,0,1,0,0|1,0,0]=3 134 B11R2.20 [C@H]12CCCC[C@@H]1CCCN2 3H31-1-D2 [1,0,0,1,0,0|2,0,0]=4 135 B11R2.20 [C@H]12CCCC[C@H]1CNCC2 3H31-1-R4 [1,0,0,1,0,0|0,0,0]=2 136 B11R2.239 C1CC(C2COC2)CCN1 4H22-1-37 [1,0,0,1,0,0|2,0,0]=4 137 B11R2.239 C1CCN(C2CNC2)CC1 3H31-1-7Y [1,0,0,1,0,0|1,0,0]=3 138 B11R2.239 C1CN(C2CNC2)CCO1 4H56-5-47 [1,0,0,1,0,0|2,0,0]=4 139 B11R2.239 C1CN(C2CNC2)CCO1 4H56-5-CB [1,0,0,1,0,0|2,0,0]=4 140 B11R2.1261 C1CC2(CCN1)CCNC2 3H31-1-42 [1,0,0,1,0,0|1,0,0]=3 141 B11R2.1261 C1CC2(CCN1)CCOC2 4H22-1-71 [1,0,0,1,0,0|2,0,0]=4 142 B11R2.1261 C1CC2(CCN1)CCOC2 4H31-1-2H [1,0,0,1,0,0|2,0,0]=4 143 B11R2.1261 C1CC2(CCN1)CCOC2 4H56-5-3H [1,0,0,1,0,0|2,0,0]=4 144 B11R2.1261 C1CC2(CCOCC2)CN1 4H22-1-14 [1,0,0,1,0,0|1,0,0]=3 145 B11R2.1261 C1CC2(CCOCC2)CN1 4H56-1-046 [1,0,0,1,0,0|1,0,0]=3 146 B11R2.1261 C1CC2(CCOCC2)CN1 4H56-5-H6 [1,0,0,1,0,0|1,0,0]=3 147 B11R2.1261 C1CCC2(CCNC2)OC1 4H33-5-1D [1,0,0,1,0,0|1,0,0]=3 148 B11R2.678 O[C@@H]1C[C@@H]2CCC[C@H](C1)N2 4H56-5-C7 [1,0,0,1,0,0|2,0,0]=4 149 B11R2.703 CN1CC2(CCNCC2)C1 3H31-1-7Z [1,0,0,1,0,0|2,0,0]=4 150 B11R2.748 O=C1CC2(CCCC2)CN1 4H48-1-02M [0,0,0,1,1,0|1,0,1]=4 151 B13R2.32 CN1C(=O)CO[C@@H]2CCCC[C@H]21 4H44-5-76 [0,0,0,1,0,1|1,0,1]=4 152 B13R2.64 C1CCN(CC2CCCN2)CC1 3H32-1-LQ [0,1,0,1,0,0|1,0,0]=3 153 B13R2.3683 [C@@H]12CCN(C)CC1CC[C@@H](Br)C2 3H32-9-3M [0,1,0,1,0,0|2,0,0]=4 154 B13R2.3683 [C@@H]12CC[NH+](C)CC1CCC(Br)C2 3H33-9-01 [0,1,0,1,0,0|2,0,0]=4 155 B13R2.155 [C@H]12CC[C@H](Br)CC1CN(C)CC2 3H33-9-12 [0,1,0,1,0,0|2,0,0]=4 156 B13R3.3861 C12CC3CC(C1)C(Br)C(C2)C3 1200-9-05 [0,0,0,2,0,0|2,0,0]=4 157 B13R3.3861 NC1C2CC3CC(C2)CC1C3 3230-1-12 [0,0,0,2,0,0|2,0,0]=4 158 B9R0.8 CCCCC(C)C(C)CC 1100-1-30 [0,0,1,0,1,0|1,0,0]=3 159 B9R1.12 CCCCC1CCCN1 3H31-1-FC [1,0,0,0,1,0|2,0,0]=4 160 B9R1.12 CCCCN1CCCC1 3H32-1-44 [1,0,0,0,1,0|2,0,0]=4 161 B9R1.12 COCCC1CCCN1 4H07-1-78 [1,0,0,0,1,0|2,0,0]=4 162 B9R1.12 O=CCCC1CCCC1 2215-1-09 [1,0,0,0,1,0|2,0,0]=4 163 B9R1.12 OCCCC1CCCC1 2201-1-X0 [1,0,0,0,1,0|2,0,0]=4 164 B9R1.6 CC(=O)C1CCCCC1 2217-1-X2 [1,0,0,0,1,0|1,0,1]=4 165 B9R1.6 CC(C)C1CCCCN1 3H33-5-1T [1,0,0,0,1,0|1,0,0]=3 166 B9R1.6 CC(C)C1CCNCC1 3H31-1-DL [1,0,0,0,1,0|1,0,0]=3 167 B9R1.6 CC(C)C1CNCCN1 3H31-1-BP [1,0,0,0,1,0|2,0,0]=4 168 B9R1.6 CC(C)[C@@H]1COCCN1 4H56-1-R52 [1,0,0,0,1,0|2,0,0]=4 169 B9R1.6 CC(C)[C@H]1CNCCN1 3H31-5-X1 [1,0,0,0,1,0|2,0,0]=4 170 B9R1.6 CC(C)[C@H]1COCCN1 4H56-1-S52 [1,0,0,0,1,0|2,0,0]=4 171 B9R1.6 CC(O)C1CCNCC1 4H02-1-0J [1,0,0,0,1,0|2,0,0]=4 172 B9R1.6 CN(C)C1CCCCC1 3232-1-00 [1,0,0,0,1,0|1,0,0]=3 173 B9R1.6 CN(C)C1CCNCC1 3H32-5-F3 [1,0,0,0,1,0|2,0,0]=4 174 B9R1.6 N=C(N)C1CCCCC1 3241-5-03 [1,0,0,0,1,0|1,0,1]=4 175 B9R1.6 NC(=O)C1CCCCC1 4248-1-X2 [1,0,0,0,1,0|1,0,1]=4 176 B9R1.13 CN(C)CC1CCNC1 3H32-5-88 [1,0,0,0,1,0|2,0,0]=4 177 B9R1.13 CN(C)C[C@@H]1CCCN1 3H31-5-S0 [1,0,0,0,1,0|2,0,0]=4 178 B9R1.11 CCC(C)C1CCCN1 3H31-1-DY [0,0,0,0,2,0|2,0,0]=4 179 B11R1.742 CC(C)CC1CCCCCN1 3H31-1-FX [1,0,0,0,0,1|0,0,0]=2