0 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [0,0,0,1,0,0|1,0,2]=4 1 B9R1.8 CNCC1CCCCC1 4088652 [0,0,0,1,0,0|2,0,0]=3 2 B9R1.8 COCC1CCCCN1 4090582 [0,0,0,1,0,0|2,0,1]=4 3 B9R1.8 COCC1CCCNC1 4091076 [0,0,0,1,0,0|3,0,0]=4 4 B9R1.8 COCC1CCNCC1 4090236 [0,0,0,1,0,0|3,0,0]=4 5 B9R1.8 N#CCC1CCCNC1 4045699 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.8 N#CCC1CCCNC1 4088988 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.8 N#CCC1CCNCC1 4090106 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.8 NCCN1CCCCC1 3020436 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.12 CCCNC1CCCC1 4088182 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.12 NCCCN1CCCC1 3020430 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.12 O=C=NCC1CCCO1 3001794 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.14 CCN1CCC[C@H]1CCl 4035333 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.15 CCC1NCCNC1=O 4091140 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.15 CCN1CCNCC1=O 4088235 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.15 CC[C@@H]1CNCCN1C 4076384 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.15 CC[C@H]1CNCCN1C 4071628 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.15 CN1CCCCC1CBr 4088753 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.15 CN1CCCCC1CCl 4088099 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.15 CNC1CCCCC1O 4105003 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.15 CN[C@@H]1CCCC[C@@H]1O 4050792 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.33 CNCC1CCCN1C 4100050 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.33 NCCN1CCCC1=O 4088871 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.89 CNC1CCCCCC1 4089903 [0,0,0,1,0,0|2,0,0]=3 24 B6R0.6 C=CCNCCC 4088685 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.6 CCOCCNC 4089681 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 CCC1CNCCN1 4090833 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.2 CC[C@@H]1COCCN1 4039428 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.2 CC[C@H]1COCCN1 4039169 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.2 NCC1=CCCCC1 4089848 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.2 NCC1CCCCO1 4003524 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.2 NCC1CCCOC1 4088037 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.5 CC1CNCCC1O 4097511 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.5 CN1CCNCC1=O 4090061 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.5 NC1CCCNC1=O 4089547 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.8 CCNC1CCCC1 4088683 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.8 CNCC1CCCC1 4089391 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.8 OCCC1CCCO1 4016666 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.11 CC[C@H]1CCC[C@H]1N 4015651 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.11 CN1CCCC1CCl 4090126 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.11 CN1CCCC1CN 4090027 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.11 CN1CCC[C@@H]1CN 4055531 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.11 CN1CCC[C@H]1CN 4076302 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.22 CC1CNCCCO1 4041125 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.22 O=C1CCNCCN1 4090378 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.22 OC1CCCNCC1 4088463 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.18 N=C(N)NC1CCCCC1 4089027 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.18 NC(=O)CC1CNCCO1 4021651 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.18 O=C(O)CC1CNCCO1 4089101 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.18 O=C(O)CC1COCCO1 4016657 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.18 O=C(O)CN1CCSCC1 3002547 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.39 CCN1CCCC1C(=O)O 4034157 [0,1,0,1,0,0|1,0,0]=3 52 B10R1.39 CCN1CCC[C@@H]1C(=O)O 4063390 [0,1,0,1,0,0|1,0,0]=3 53 B10R1.61 CN1CCCCC1C(=O)O 4089496 [0,1,0,1,0,0|1,0,0]=3 54 B10R1.61 CN1CCNCC1C(=O)O 4089723 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.61 CN1CCOCC1C(=O)O 4402104 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.61 NC(=O)[C@@H]1CCCC[C@H]1N 4047092 [0,1,0,1,0,0|1,0,0]=3 57 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N 4031246 [0,1,0,1,0,0|1,0,0]=3 58 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N 4090440 [0,1,0,1,0,0|1,0,0]=3 59 B10R1.64 CN(C)CC1CCCC1=O 4088489 [0,1,0,1,0,0|1,0,0]=3 60 B10R1.348 O=C(O)C1CCCCCN1 4140254 [0,1,0,1,0,0|1,0,0]=3 61 B10R1.79 N[C@H]1CCC[C@@H](O)CCC1 4012467 [0,1,0,1,0,0|0,0,2]=4 62 B10R1.79 N[C@H]1CCC[C@H](O)CCC1 4074884 [0,1,0,1,0,0|0,0,2]=4 63 B10R1.4 CC1CCCCN1CCO 3001778 [0,1,0,1,0,0|0,0,2]=4 64 B10R1.4 CCCN1CCNCC1=O 4090931 [0,1,0,1,0,0|1,0,0]=3 65 B10R1.4 CN1CCCCC1CCN 4011191 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.4 NCCN1CCCCC1=O 4088353 [0,1,0,1,0,0|1,0,0]=3 67 B10R1.4 NCCN1CCCOC1=O 4089871 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.17 C#CCNC1CCCCC1 4089160 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.17 CCNCC1CCCCC1 4089799 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.17 CCNCC1CCCCO1 4091125 [0,1,0,1,0,0|0,0,2]=4 71 B10R1.17 COCCC1CCCNC1 4090265 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.17 COCCC1CCNCC1 4089767 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.232 NC1(CO)CCCCCC1 4042715 [0,1,0,1,0,0|0,0,2]=4 74 B10R2.7 C1=CC[C@H]2CNC[C@H]2C1 4037097 [0,0,0,2,0,0|2,0,0]=4 75 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 4089880 [0,0,0,2,0,0|2,0,0]=4 76 B10R2.32 N[C@H]1CC[C@@H]2CCC[C@H]12 4039571 [0,0,0,2,0,0|1,0,1]=4 77 B10R2.32 N[C@H]1CC[C@H]2CCC[C@@H]12 4080727 [0,0,0,2,0,0|1,0,1]=4 78 B10R2.99 NC[C@H]1C[C@@H]2C=C[C@H]1C2 4100397 [0,0,0,2,0,0|2,0,0]=4 79 B10R2.190 O=C1NCCC12CCC2 4035729 [0,0,0,2,0,0|1,0,0]=3 80 B10R2.2 O=C1C[C@H]2CNC[C@H]2N1 4110412 [0,0,0,2,0,0|2,0,0]=4