0 B8R1.1 CCC1CCC(=O)N1 4027451 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.1 CCC1CNC(=O)C1 4026756 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.1 CCN1CC[C@@H](N)C1 4099937 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.1 CCN1CC[C@H](N)C1 4098573 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.1 CN1CCC(CBr)C1 4090341 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 NCC1CCC(=O)N1 4111537 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.1 CCC1C=CCN1 4090190 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.1 CNC1CCOC1 4003583 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.1 COC1CCNC1 4089940 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 CO[C@@H]1CCNC1 4098907 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.1 CO[C@H]1CCNC1 4093842 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.1 OC[C@@H]1CCNC1 4098010 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.7 N#CCC1CCC(=O)N1 4108168 [0,1,0,0,0,0|1,0,1]=3 14 B9R1.7 N#CC[C@@H]1CCC(=O)N1 4046620 [0,1,0,0,0,0|1,0,1]=3 15 B9R1.7 NCCC1CCC(=O)N1 4110733 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.7 O=C1CC[C@@H](CCO)N1 4046046 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.7 O=C1CC[C@H](CCO)N1 4054374 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.23 CN1CC(CN)CC1=O 4091208 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.132 CN1C(=O)CCC1CN 4088603 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.132 CN1C(=O)CCC1CN 4111538 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.133 CNC1CCS(=O)(=O)C1 4088076 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.133 NCC1CCS(=O)(=O)C1 4089023 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.2 CNC(C)CC(=O)O 4090195 [0,0,1,0,0,0|3,0,0]=4 24 B7R0.3 CCC(=O)NCCN 4028425 [0,0,1,0,0,0|2,0,0]=3 25 B7R0.3 CCCOC(C)CN 4089733 [0,0,1,0,0,0|2,0,1]=4 26 B7R0.3 CNC(=O)CCCN 4089383 [0,0,1,0,0,0|3,0,0]=4 27 B7R0.3 CNCCC(=O)NC 4088709 [0,0,1,0,0,0|3,0,0]=4 28 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1O2 4053703 [0,0,0,1,0,0|2,0,1]=4 29 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1O2 4066639 [0,0,0,1,0,0|2,0,1]=4 30 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 4082172 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.1 CCC1CCC(N)CC1 3018386 [0,0,0,0,0,1|2,0,1]=4 32 B9R1.2 CC[C@@H]1C[C@@H](O)CCN1 4078695 [0,0,0,0,0,1|1,0,2]=4 33 B9R1.2 C[C@@H]1CNC[C@@H](CO)O1 4042486 [0,0,0,0,0,1|2,0,1]=4 34 B9R1.2 C[C@H]1CNC[C@@H](CO)O1 4042449 [0,0,0,0,0,1|2,0,1]=4 35 B6R0.1 CCOC(C)CN 4089019 [1,0,1,0,0,0|1,0,1]=4 36 B6R0.1 NCCC(O)CO 4051484 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.2 CC(=O)CC(C)N 4022442 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.2 CC(=O)CC(C)N 4089784 [1,0,1,0,0,0|2,0,0]=4 39 B6R0.4 CCCCC(=N)N 4090419 [1,0,1,0,0,0|2,0,0]=4 40 B6R0.4 CNCCC(=O)O 4088781 [1,0,1,0,0,0|1,0,0]=3 41 B6R0.4 CNCCC(N)=O 4090391 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.6 C=CCNCCC 4088685 [1,0,1,0,0,0|2,0,0]=4 43 B6R0.9 CCC(CN)OC 4090078 [1,0,1,0,0,0|1,0,1]=4 44 B6R1.2 NC1C=CCC1 4068828 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.8 CC(C)C(=O)NCCN 4090894 [0,1,1,0,0,0|2,0,0]=4 46 B8R1.7 CC(N)C1CCCC1 4090794 [1,1,0,0,0,0|1,0,1]=4 47 B8R1.8 CCNC1CCCC1 4088683 [1,1,0,0,0,0|1,0,1]=4 48 B8R1.8 CCOC1CCNC1 4089420 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.8 CNCC1CCCC1 4089391 [1,1,0,0,0,0|1,0,1]=4 50 B8R1.8 OCCC1CCCO1 4016666 [1,1,0,0,0,0|0,0,1]=3 51 B8R1.11 CC[C@H]1CCC[C@H]1N 4015651 [1,1,0,0,0,0|1,0,1]=4 52 B8R1.52 CC1(CN)CCCO1 4018199 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.176 CN1CC(CBr)CCC1=O 4065972 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.176 CN1CC(CN)OCC1=O 4089546 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.113 CC(C)[C@H]1CNC[C@@H](C)O1 4109531 [0,1,0,0,0,1|1,0,1]=4 56 B10R1.54 O=C(O)CC1CCC(=O)N1 4002524 [0,2,0,0,0,0|1,0,1]=4 57 B10R1.95 NCCC1CCS(=O)(=O)C1 4041197 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.95 NCCC1CCS(=O)(=O)C1 4091131 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.470 CC1(C(=O)O)CCC(=O)O1 4023942 [0,2,0,0,0,0|1,0,1]=4 60 B8R1.4 CC1CNCC(=O)N1 4049339 [0,0,1,1,0,0|2,0,0]=4 61 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,0,1,1,0,0|2,0,0]=4 62 B8R1.3 CC1CNC(=O)CN1 4045852 [0,0,1,1,0,0|2,0,0]=4 63 B8R1.3 C[C@@H]1CNC(=O)CN1 4090663 [0,0,1,1,0,0|2,0,0]=4 64 B8R1.3 C[C@H]1CNC(=O)CN1 4089619 [0,0,1,1,0,0|2,0,0]=4 65 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,0,1,1,0,0|2,0,0]=4 66 B8R1.5 CC1CNCCC1O 4097511 [0,0,1,1,0,0|2,0,0]=4 67 B8R1.5 NC1CCCNC1=O 4089547 [0,0,1,1,0,0|2,0,0]=4 68 B8R1.22 O=C1CCNCCN1 4090378 [0,0,1,1,0,0|2,0,0]=4 69 B8R1.22 OC1CCCNCC1 4088463 [0,0,1,1,0,0|1,0,1]=4 70 B8R2.34 C12CCC(CC1)N2 4097327 [1,0,0,1,0,0|1,0,1]=4 71 B10R2.2 C[C@H]1C[C@H]2CNC[C@H]2O1 4080156 [0,1,0,1,0,0|1,0,1]=4 72 B10R2.2 O=C1C[C@H]2CNC[C@H]2N1 4110412 [0,1,0,1,0,0|1,0,0]=3 73 B10R2.14 O=C1CC(C2CC2)CN1 4048224 [0,1,0,1,0,0|2,0,0]=4 74 B10R2.332 O=C1CC2(CCC2)CN1 4110780 [0,1,0,1,0,0|2,0,0]=4 75 B6R0.3 CN[C@@H](C)C(N)=O 4077652 [0,0,1,0,1,0|2,0,0]=4 76 B6R0.3 CN[C@H](C)C(N)=O 4076581 [0,0,1,0,1,0|2,0,0]=4 77 B6R1.6 NCC1CCC1 4090412 [1,0,0,0,1,0|1,0,1]=4