0 B11R1.40 CC(CC1CCCCC1)NN SC-38557 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.40 COC(=O)CC1CCNCC1 SC-23308 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 NC(CO)CC1CCCCC1 SC-A5381 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 NNC(=O)CC1CCCCC1 SC-42093 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.40 N[C@H](CO)CC1CCCCC1 SC-26188 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 BrCCCC1CCCCC1 SC-74207 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CCCCC1CCNCC1 SC-02795 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 CCCNC1CCOCC1 SC-59541 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 CNCCN1CCOCC1 SC-99978 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CNCCN1CCOCC1 SC-A3222 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 COCCN1CCNCC1 SC-23259 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 ClCCCN1CCCCC1 SC-69189 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 NCCCC1CCNCC1 SC-50599 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 NCCCN1CCCCC1 SC-40006 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 NOCCN1CCCCC1 SC-60654 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 OCCCC1CCNCC1 SC-26368 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 OCCOC1CCCCC1 SC-00060 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.18 C=C(C)CC1CCCNC1 SC-36238 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.18 CC(C)CC1CCCNC1 SC-36189 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.18 CC(C)OC1=CCCCC1 SC-68425 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.18 CC(C)OC1CCNCC1 SC-15496 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.18 CC(N)CC1CCCCC1 SC-50574 [1,0,0,0,0,0|0,0,0]=1 22 B10R1.18 CN(C)CC1CCNCC1 SC-92123 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.18 CN(C)CC1CNCCO1 SC-35806 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.18 N=C(N)CN1CCCCC1 SC-41905 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.18 NC(N)=NC1CCCCC1 SC-60358 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.18 O=C(O)CC1CCCCC1 SC-17590 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.34 CON(C)C(=O)C1CCCCC1 SC-34827 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O SC-03069 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O SC-11090 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.43 NC(CC1CCCCC1)C(=O)O SC-11091 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.43 NC(CC1CCCCC1)C(=O)O SC-11093 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.49 COC(=O)CC1CCC(N)CC1 SC-30010 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.118 COC(CN1CCOCC1)OC SC-47625 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.2918 O=C1CC2(CCCCC2)CN1 SC-12106 [0,0,0,1,0,0|1,0,1]=3 35 B12R2.2918 O=C1CC2(CCNCC2)CN1 SC-89871 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.15 C=CC(O)C1CCCCC1 SC-48084 [0,0,0,0,1,0|2,0,1]=4 37 B10R1.15 CC(NN)C1CCCCC1 SC-26446 [0,0,0,0,1,0|1,0,0]=2 38 B10R1.15 CCC(C)N1CCNCC1 SC-54305 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.15 NCC(O)C1CCCCC1 SC-34615 [0,0,0,0,1,0|3,0,0]=4 40 B12R1.27 CC(CO)COC1CCCCO1 SC-14338 [0,0,0,0,0,1|3,0,0]=4 41 B12R1.27 CC(CO)COC1CCCCO1 SC-14339 [0,0,0,0,0,1|3,0,0]=4 42 B9R0.14 CCCC(CC(C)C)NN SC-39106 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.2 CCCCCCCC(=N)N SC-40677 [1,0,1,0,0,0|1,0,1]=4 44 B9R0.45 C#CCCCCCCCC SC-65396 [1,0,1,0,0,0|1,0,1]=4 45 B9R0.45 CCCCCCCCCBr SC-65114 [1,0,1,0,0,0|2,0,0]=4 46 B9R0.45 CCCCCCCCNC SC-62266 [1,0,1,0,0,0|0,0,0]=2 47 B9R0.45 CCCCCCCNCC SC-28603 [1,0,1,0,0,0|2,0,0]=4 48 B9R1.8 BrCCC1CCCCC1 SC-20104 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 BrCCC1CCOCC1 SC-99287 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 CCCN1CCNCC1 SC-82764 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 CCNC1CCOCC1 SC-45632 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.8 COCC1CCCCN1 SC-48480 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.8 COCC1CCNCC1 SC-B8194 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 ClCCC1CCCCN1 SC-42081 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 ClCCN1CCCCC1 SC-12781 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 N#CCC1CCCCC1 SC-40063 [2,0,0,0,0,0|0,0,2]=4 57 B9R1.8 N#CCC1CCCCC1 SC-72238 [2,0,0,0,0,0|0,0,2]=4 58 B9R1.8 NCCC1CCOCC1 SC-06091 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.8 NCCC1CCOCC1 SC-66190 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.8 NCCN1CCCCC1 SC-47028 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.8 NCCN1CCCCC1 SC-69190 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.8 NCCN1CCOCC1 SC-18803 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.8 NNCC1CCCCC1 SC-58983 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.8 NNCC1CCOCC1 SC-12835 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.8 O=CCC1CCCCC1 SC-12759 [2,0,0,0,0,0|1,0,1]=4 66 B9R1.8 OCCC1CCCCN1 SC-01221 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.8 OCCC1CCNCC1 SC-05824 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.8 OCCC1CCNCC1 SC-A3238 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.8 OCCN1CCCCC1 SC-69188 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.8 [NH3+]NCC1CCCCC1 SC-41857 [2,0,0,0,0,0|1,0,0]=3 71 B11R0.42 CCCCCCCC(C)C(=O)O SC-50331 [0,1,1,0,0,0|2,0,0]=4 72 B11R1.24 CNCCC1CCCN(C)C1 SC-29364 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.28 COCCNC1CCOCC1 SC-59542 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.28 NNCCCC1CCCCC1 SC-59956 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.20 CC(C)CN1CCC(=O)CC1 SC-46263 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.20 CN(C)CC1CCC(N)CC1 SC-A2385 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.86 CC(C)CC1CCCNC1=O SC-26295 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.86 CN(C)CC1CCCCC1=O SC-21453 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.86 CN(C)CC1CCCCC1=O SC-85018 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.86 CN(C)CC1CCCCC1=O SC-96283 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.509 NS(=O)(=O)CC1CCCCC1 SC-33854 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.928 NC(=O)CC1(N)CCCCC1 SC-A4736 [1,1,0,0,0,0|1,0,1]=4 83 B11R2.20 C1CC2CCOCC2CN1 SC-88005 [1,0,0,1,0,0|1,0,0]=3 84 B11R2.20 C1CCC2NCCCC2C1 SC-02316 [1,0,0,1,0,0|2,0,0]=4 85 B11R2.20 C1CN2CCOC[C@@H]2CN1 SC-17290 [1,0,0,1,0,0|2,0,0]=4 86 B11R2.20 [C@H]12CNCCN1CCOC2 SC-17286 [1,0,0,1,0,0|2,0,0]=4 87 B11R2.239 C1CN(C2CNC2)CCO1 SC-14769 [1,0,0,1,0,0|2,0,0]=4 88 B11R2.239 C1CN(C2CNC2)CCO1 SC-99595 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.239 C1CN(C2CNC2)CCS1 SC-14771 [1,0,0,1,0,0|2,0,0]=4 90 B11R2.1261 C1CC2(CCN1)CCNC2 SC-28414 [1,0,0,1,0,0|1,0,0]=3 91 B11R2.1261 C1CC2(CCN1)CCOC2 SC-70667 [1,0,0,1,0,0|2,0,0]=4 92 B11R2.1261 C1CC2(CCN1)CCOC2 SC-B8220 [1,0,0,1,0,0|2,0,0]=4 93 B11R2.1261 C1CCC2(C1)CCNCC2 SC-85592 [1,0,0,1,0,0|2,0,0]=4 94 B11R2.1261 C1COCC2(C1)CCNC2 SC-A2889 [1,0,0,1,0,0|1,0,0]=3 95 B11R2.10 CN1CC2CCCNC2C1 SC-25480 [1,0,0,1,0,0|2,0,0]=4 96 B13R2.57 NNC1CCC2CCCCC2C1 SC-41976 [0,0,0,1,0,1|1,0,0]=3 97 B13R2.11128 CC1CNCC2(CCCCC2)N1 SC-29365 [0,1,0,1,0,0|1,0,0]=3 98 B13R2.11462 CC1(C)CC2(CCNCC2)CO1 SC-A5558 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.1759 CNC1CC2CCCC(C1)N2C SC-25109 [0,1,0,1,0,0|1,0,0]=3 100 B13R3.3861 BrC1C2CC3CC(C2)CC1C3 SC-62451 [0,0,0,2,0,0|2,0,0]=4 101 B13R3.3861 NC1C2CC3CC(C2)CC1C3 SC-00217 [0,0,0,2,0,0|2,0,0]=4 102 B13R3.3861 O=C1C2CC3CC(C2)CC1C3 SC-06390 [0,0,0,2,0,0|2,0,0]=4 103 B9R1.12 NNCCC1CCCC1 SC-59967 [1,0,0,0,1,0|1,0,0]=3 104 B9R1.12 NNCCN1CCCC1 SC-54661 [1,0,0,0,1,0|2,0,0]=4 105 B9R1.12 O=CCCC1CCCC1 SC-40969 [1,0,0,0,1,0|2,0,0]=4 106 B9R1.6 CC(=O)C1CCCCC1 SC-28527 [1,0,0,0,1,0|1,0,1]=4 107 B9R1.6 CC(C)C1COCCN1 SC-14189 [1,0,0,0,1,0|2,0,0]=4 108 B9R1.6 CC(C)N1CCNCC1 SC-26868 [1,0,0,0,1,0|2,0,0]=4 109 B9R1.6 CC(C)N1CCNCC1 SC-35405 [1,0,0,0,1,0|2,0,0]=4 110 B9R1.6 CC(C)N1CCNCC1 SC-53406 [1,0,0,0,1,0|2,0,0]=4 111 B9R1.6 CC(O)C1CCCCC1 SC-22092 [1,0,0,0,1,0|1,0,0]=3 112 B9R1.6 CN(C)C1CCCNC1 SC-70157 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.6 CN(C)C1CCNCC1 SC-04881 [1,0,0,0,1,0|2,0,0]=4 114 B9R1.6 CN(C)C1CCNCC1 SC-25499 [1,0,0,0,1,0|2,0,0]=4 115 B9R1.6 C[C@@H](O)C1CCOCC1 SC-A6066 [1,0,0,0,1,0|2,0,0]=4 116 B9R1.6 N=C(N)C1CCCCC1 SC-12461 [1,0,0,0,1,0|1,0,1]=4 117 B9R1.13 CC(C)CC1CCCN1 SC-29304 [1,0,0,0,1,0|1,0,0]=3 118 B9R1.13 CC(C)C[C@H]1CCCN1 SC-91874 [1,0,0,0,1,0|1,0,0]=3 119 B9R1.13 CN(C)CC1CCCO1 SC-87629 [1,0,0,0,1,0|2,0,0]=4 120 B9R1.11 CC(NN)C1CCCC1 SC-52179 [0,0,0,0,2,0|1,0,0]=3