0 B10R1.10 CCCN1CCCC(N)C1 4014926 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.10 CN1CCCC(CCN)C1 4011901 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.10 CNCC1CCCN(C)C1 4103005 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.2 CCC1COCC(=O)N1 4027565 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.2 CCN1CCNC(=O)C1 4044495 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 CC[C@H]1CNC[C@@H](C)O1 4109689 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 BrCCC1CCCCN1 4027974 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 BrCCC1CCCCN1 4090143 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 BrCCC1COCCO1 4071604 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 CCCC1COCCN1 4021666 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 CNCC1CCCCC1 4028444 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 CNCC1CCCCO1 4003543 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 CNCC1CCCCO1 4088030 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 CNCC1COCCO1 4101742 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 COCC1CCCCN1 4002970 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 COCC1CCCNC1 4002971 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 CSCC1CCCNC1 4043531 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 NCCC1CC=CCC1 4004572 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 NCCC1CCCCC1 4005014 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 NCCC1CCCCC1 4089549 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 NCCC1CCCCO1 4002169 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 NCCC1CCCCO1 4085477 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.8 NCCC1CCCOC1 4036334 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 OCCC1CCCCO1 4016654 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 OCCC1CNCCO1 4020258 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 OCCC1COCCO1 4016658 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.24 CCCNC1CCCC(C)C1 4024919 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.24 CCCNC1CCCC(C)C1 4090836 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.24 NCCCN1CCNC(=O)C1 4029866 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.2 COCCCCCC(=O)O 4021515 [0,0,1,0,0,0|1,0,0]=2 30 B9R0.5 CCCCNC(=O)CNC 4025910 [0,0,1,0,0,0|2,0,0]=3 31 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 4045254 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.7 CNCC1CCC(=O)N1 4111539 [0,0,0,0,1,0|2,0,0]=3 33 B9R1.7 N#CC[C@H]1CCC(=O)N1 4067809 [0,0,0,0,1,0|2,0,1]=4 34 B9R1.33 CNCC1CCCN1C 4110679 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.33 NCCN1CCCC1=O 4006050 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.33 NCCN1CCOC1=O 4012055 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.33 O=C1CCCN1CCBr 4035171 [0,0,0,0,1,0|2,0,0]=3 38 B9R1.33 O=C1CCCN1CCCl 6141229 [0,0,0,0,1,0|2,0,0]=3 39 B8R0.7 C\C=C\CCCC(=O)O 4074621 [1,0,1,0,0,0|0,0,2]=4 40 B8R0.19 CCC(C)NC(=O)CCl 4028165 [1,0,1,0,0,0|2,0,0]=4 41 B8R1.2 CCC1CCCNC1 4018855 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.2 CCC1CNCCO1 4018983 [2,0,0,0,0,0|1,0,1]=4 43 B8R1.2 NCC1CCCCO1 4087791 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.4 CC1CCCC(=O)N1 4027532 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.4 CC1COCC(=O)N1 4028237 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [2,0,0,0,0,0|2,0,0]=4 48 B10R0.78 COCCN(C)CCC(=O)O 4017707 [0,1,1,0,0,0|2,0,0]=4 49 B10R0.2 CCCC(N)CC(=O)OCC 4012463 [0,1,1,0,0,0|2,0,0]=4 50 B10R1.113 CC(C)C1CC(=O)CCO1 4052864 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.17 CCCNC1CCCCC1 4088015 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.17 CCCNC1CCCCC1 6591639 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.17 CCNCC1CCCCC1 4026987 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.17 CCNCC1CCCCO1 4015227 [1,1,0,0,0,0|0,0,1]=3 55 B10R1.17 CNCCC1CCCCO1 4002170 [1,1,0,0,0,0|0,0,1]=3 56 B10R1.17 COCCC1CCCCN1 4002973 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.17 COCCC1CCCCN1 4089763 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.17 COCCC1CCCNC1 4018857 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.17 COCCC1CNCCO1 4110807 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.17 OCCCC1CCCCN1 4011271 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.17 OCCCC1CCCNC1 4011272 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.18 CC(C)CC1CNCCO1 4018982 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.54 CC(C)CC1CNC(=O)C1 4026757 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.94 CNCC1CCC(=O)N1C 4110708 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.94 CNCC1CCC(=O)N1C 4111540 [0,1,0,0,1,0|2,0,0]=4 66 B10R1.64 CN(C)CC1CCCC1=O 4023728 [0,1,0,0,1,0|1,0,0]=3 67 B10R1.39 CCN1CCC[C@H]1C(=O)O 4044757 [0,0,1,1,0,0|1,0,0]=3 68 B10R1.61 CN1CCCCC1C(=O)O 4400178 [0,0,1,1,0,0|1,0,0]=3 69 B10R1.61 CN1CCNCC1C(=O)O 4142105 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.61 CN1CCOC[C@@H]1C(=O)O 4037824 [0,0,1,1,0,0|2,0,0]=4 71 B10R1.61 CN1CCOC[C@H]1C(=O)O 4038718 [0,0,1,1,0,0|2,0,0]=4 72 B10R1.66 O=C(O)CCC1CCCO1 4027244 [0,0,1,1,0,0|1,0,0]=3 73 B10R1.66 O=C(O)CCN1CCCC1 4017740 [0,0,1,1,0,0|1,0,0]=3 74 B10R1.66 O=C(O)CCN1CCCO1 4013267 [0,0,1,1,0,0|2,0,0]=4 75 B10R1.144 CCCCC1CC1C(=O)O 6156098 [0,0,1,1,0,0|0,0,0]=2 76 B10R1.348 NC(=O)C1CCCCNC1 4044747 [0,0,1,1,0,0|2,0,0]=4 77 B10R1.11 NCCC(=O)N1CCCC1 4031732 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.11 NCCC(=O)N1CCCC1 4091022 [0,0,1,1,0,0|2,0,0]=4 79 B10R1.21 CNCCCC1CCCO1 4018237 [0,0,1,1,0,0|2,0,0]=4 80 B10R1.21 NCCCCC1CCCO1 4018236 [0,0,1,1,0,0|1,0,1]=4 81 B10R1.21 NCCCCC1CCCO1 4090493 [0,0,1,1,0,0|1,0,1]=4 82 B10R1.79 NC1CCCC(O)CCC1 4108221 [0,0,1,1,0,0|1,0,1]=4 83 B10R1.197 CCC1CCNC(=O)CC1 4042732 [0,0,1,1,0,0|2,0,0]=4 84 B10R2.6 C1COC(C2CC2)CN1 4047820 [1,0,0,1,0,0|1,0,1]=4 85 B12R2.1019 [C@H]12CCC[C@H](CNC1)C(=O)N2 4044177 [0,0,0,1,0,1|1,0,0]=3 86 B12R2.82 C[C@@H]1NC[C@@H]2CCCN2C1=O 4084196 [0,1,0,1,0,0|2,0,0]=4 87 B12R2.82 C[C@@H]1NC[C@H]2CCCN2C1=O 4052939 [0,1,0,1,0,0|2,0,0]=4 88 B12R2.82 C[C@H]1NC[C@@H]2CCCN2C1=O 4078349 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.82 C[C@H]1NC[C@H]2CCCN2C1=O 4052200 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.2342 CN1C(=O)[C@@H]2CC[C@H]1CNC2 4045403 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.24 O=C1CO[C@@H]2CCNC[C@@H]2N1 4091243 [0,1,0,1,0,0|2,0,0]=4 92 B12R2.2899 O=C1CC2CC(=O)CC(C1)C2 4045102 [0,1,0,1,0,0|1,0,1]=4 93 B8R0.15 CCCC(NC)C(=O)O 4044041 [0,0,1,0,1,0|2,0,0]=4 94 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,0,1,0,1,0|2,0,0]=4 95 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,0,1,0,1,0|2,0,0]=4 96 B8R1.1 CCC1COC(=O)N1 4044759 [1,0,0,0,1,0|2,0,0]=4 97 B8R1.1 NCC1CCC(=O)N1 4110532 [1,0,0,0,1,0|2,0,0]=4 98 B8R1.1 O=C1CCC(CBr)O1 4085450 [1,0,0,0,1,0|1,0,0]=3 99 B8R1.1 O=C1CCC(CI)N1 4110716 [1,0,0,0,1,0|2,0,0]=4 100 B8R1.11 CCC1CCNC1=O 4035898 [1,0,0,0,1,0|1,0,0]=3 101 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [1,0,0,0,1,0|1,0,1]=4 102 B8R1.8 CCCC1C=CCN1 4029126 [1,0,0,0,1,0|1,0,1]=4 103 B8R1.8 CCCC1CCNC1 4018767 [1,0,0,0,1,0|1,0,1]=4 104 B8R1.8 CCNC1CCCC1 4024871 [1,0,0,0,1,0|1,0,1]=4 105 B8R1.8 CNCC1CCCC1 4043685 [1,0,0,0,1,0|1,0,1]=4 106 B8R1.8 CNCC1CCCN1 4111536 [1,0,0,0,1,0|2,0,0]=4 107 B8R1.8 CNCC1CCCO1 4018249 [1,0,0,0,1,0|1,0,0]=3 108 B8R1.8 NCCC1CCCC1 4015075 [1,0,0,0,1,0|1,0,1]=4 109 B8R1.8 NCCC1CCCC1 4087871 [1,0,0,0,1,0|1,0,1]=4 110 B8R1.8 OCCC1CCCN1 4019404 [1,0,0,0,1,0|2,0,0]=4