0 B6R0.6 C=CCNCCC 4088685 [1,0,0,0,0,0|1,0,0]=2 1 B6R0.6 CCOCCNC 4089681 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.2 CCC1CNCCN1 4090833 [0,0,0,1,0,0|2,0,1]=4 3 B8R1.2 CC[C@@H]1COCCN1 4039428 [0,0,0,1,0,0|2,0,1]=4 4 B8R1.2 CC[C@H]1COCCN1 4039169 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.2 CNC1CCSCC1 4090591 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.2 NCC1=CCCCC1 4089848 [0,0,0,1,0,0|1,0,2]=4 7 B8R1.2 NCC1CCCCO1 4003524 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.2 NCC1CCCOC1 4088037 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.5 CC1CNCCC1O 4097511 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.5 CN1CCNCC1=O 4090061 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.5 NC1CCCNC1=O 4089547 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.8 CCNC1CCCC1 4088683 [0,0,0,1,0,0|1,0,2]=4 13 B8R1.8 CCOC1CCNC1 4089420 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.8 CNCC1CCCC1 4089391 [0,0,0,1,0,0|1,0,1]=3 15 B8R1.8 OCCC1CCCO1 4016666 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.11 CC[C@H]1CCC[C@H]1N 4015651 [0,0,0,1,0,0|1,0,1]=3 17 B8R1.11 CN1CCCC1CCl 4090126 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.11 CN1CCCC1CN 4090027 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.11 CN1CCC[C@@H]1CN 4055531 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.11 CN1CCC[C@H]1CN 4076302 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.22 CC1CNCCCO1 4041125 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.22 O=C1CCNCCN1 4090378 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.22 OC1CCCNCC1 4088463 [0,0,0,1,0,0|2,0,1]=4 24 B7R0.3 CCCOC(C)CN 4089733 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.4 CC(C)CNCCO 4090750 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.4 CC(C)NCCCN 3020450 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.7 CCCC(C)NCC 4090739 [1,1,0,0,0,0|1,0,1]=4 28 B7R1.1 CCC1C=CCN1 4090190 [1,0,0,1,0,0|1,0,0]=3 29 B7R1.1 OC[C@@H]1CCNC1 4098010 [1,0,0,1,0,0|2,0,0]=4 30 B7R1.3 CC1CNCCO1 4090031 [1,0,0,1,0,0|2,0,0]=4 31 B7R1.3 CC1COCCN1 4037925 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.3 C[C@@H]1CNCCO1 4037141 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.3 NC1C=CCCC1 4075151 [1,0,0,1,0,0|1,0,0]=3 34 B7R1.3 NC1CCOCC1 4003544 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.3 NC1CCOCC1 4089666 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.3 N[C@@H]1CCCOC1 4095390 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.3 N[C@H]1CCCOC1 4105155 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.6 CNCC1CCC1 4089393 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.24 C1=CCCNCC1 4110732 [1,0,0,1,0,0|1,0,0]=3 42 B7R1.24 C1CNCCOC1 4036691 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.24 C1CNCCOC1 4088544 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.2 CC[C@@H]1C[C@@H](O)CCN1 4078695 [0,1,0,1,0,0|1,0,1]=4 45 B9R1.2 NCC1CCCC(O)C1 4023807 [0,1,0,1,0,0|1,0,1]=4 46 B9R1.2 NC[C@@H]1CCC[C@@H](O)C1 4110384 [0,1,0,1,0,0|1,0,1]=4 47 B9R1.2 NC[C@H]1CCC[C@@H](O)C1 4110840 [0,1,0,1,0,0|1,0,1]=4 48 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 4091236 [0,1,0,1,0,0|1,0,1]=4 49 B9R1.2 N[C@H]1CCC[C@@H](CO)C1 4091300 [0,1,0,1,0,0|1,0,1]=4 50 B9R1.2 N[C@H]1CCC[C@@H](CO)C1 4108241 [0,1,0,1,0,0|1,0,1]=4 51 B9R1.7 NCCC1CCC(=O)N1 4110733 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.7 O=C1CC[C@@H](CCO)N1 4046046 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.7 O=C1CC[C@H](CCO)N1 4054374 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.8 CNCC1CCCCC1 4088652 [0,1,0,1,0,0|0,0,2]=4 55 B9R1.8 COCC1CCCCN1 4090582 [0,1,0,1,0,0|1,0,1]=4 56 B9R1.8 COCC1CCCNC1 4091076 [0,1,0,1,0,0|1,0,1]=4 57 B9R1.8 COCC1CCNCC1 4090236 [0,1,0,1,0,0|1,0,1]=4 58 B9R1.8 N#CCC1CCCNC1 4045699 [0,1,0,1,0,0|1,0,1]=4 59 B9R1.8 N#CCC1CCCNC1 4088988 [0,1,0,1,0,0|1,0,1]=4 60 B9R1.8 N#CCC1CCNCC1 4090106 [0,1,0,1,0,0|1,0,1]=4 61 B9R1.8 NCCN1CCCCC1 3020436 [0,1,0,1,0,0|1,0,1]=4 62 B9R1.12 CCCNC1CCCC1 4088182 [0,1,0,1,0,0|0,0,2]=4 63 B9R1.12 NCCCN1CCCC1 3020430 [0,1,0,1,0,0|1,0,1]=4 64 B9R1.15 CCC1NCCNC1=O 4091140 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.15 CCN1CCNCC1=O 4088235 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.15 CC[C@@H]1CNCCN1C 4076384 [0,1,0,1,0,0|1,0,1]=4 67 B9R1.15 CC[C@H]1CNCCN1C 4071628 [0,1,0,1,0,0|1,0,1]=4 68 B9R1.15 CN1CCCCC1CBr 4088753 [0,1,0,1,0,0|1,0,1]=4 69 B9R1.15 CN1CCCCC1CCl 4088099 [0,1,0,1,0,0|1,0,1]=4 70 B9R1.15 CNC1CCCCC1O 4105003 [0,1,0,1,0,0|1,0,1]=4 71 B9R1.15 CN[C@@H]1CCCC[C@@H]1O 4050792 [0,1,0,1,0,0|1,0,1]=4 72 B9R1.22 CCN1CC(N)CC1=O 4014079 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.33 CNCC1CCCN1C 4100050 [0,1,0,1,0,0|1,0,1]=4 74 B9R1.33 NCCN1CCCC1=O 4088871 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.49 NC1CCNC(=O)CC1 4020296 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.69 CN1CC(N)CCC1=O 4016162 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.69 CN1CC(N)CCC1=O 4087873 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.69 CN1CC(O)CCC1=O 4079526 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.69 C[C@H]1C[C@@H](N)CCN1C 4070676 [0,1,0,1,0,0|1,0,1]=4 80 B9R1.134 COCC1(N)CCCC1 4091178 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.14 CCN1CCC[C@H]1CCl 4035333 [0,1,0,1,0,0|1,0,1]=4 83 B9R1.89 CNC1CCCCCC1 4089903 [0,1,0,1,0,0|0,0,2]=4 84 B9R1.1 CCC1CCC(N)CC1 3018386 [0,1,0,1,0,0|0,0,2]=4 85 B9R1.1 CN1CCC(C=O)CC1 4088425 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.1 COC1CCC(N)CC1 4100479 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 4048378 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4087947 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.118 CC[C@]1(C)CCCNC1 4018894 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.118 N#CC1(N)CCCCC1 4088929 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.13 O=C(O)CC1CCCN1 4090243 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.40 CC1(C)CCCNC1=O 4035135 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.41 CN1CCC[C@H]1C(=O)O 4090456 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.41 C[C@H]1OCC[C@H]1C(=O)O 4061662 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O 4003600 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.148 CC1(N)CCCCCC1 4089106 [0,1,0,1,0,0|0,0,2]=4 97 B9R2.68 C1C[C@H]2CNC[C@@H]1C2 4044639 [0,0,0,2,0,0|1,0,1]=4 98 B9R2.174 C1CNCC2(C1)CC2 4020954 [0,0,0,2,0,0|1,0,1]=4 99 B9R2.7 O=C1C[C@@H]2CCO[C@H]12 4059800 [0,0,0,2,0,0|2,0,0]=4