0 B4R0.2 CCCNN 4088315 [1,0,0,0,0,0|2,0,0]=3 1 B6R0.1 CCOC(C)CN 4089019 [0,1,0,0,0,0|3,0,0]=4 2 B6R0.1 CNCC(C)OC 4089097 [0,1,0,0,0,0|3,0,0]=4 3 B6R0.1 NCCC(O)CO 4051484 [0,1,0,0,0,0|3,0,0]=4 4 B6R0.2 CC(=O)CC(C)N 4022442 [0,1,0,0,0,0|3,0,0]=4 5 B6R0.2 CC(=O)CC(C)N 4089784 [0,1,0,0,0,0|3,0,0]=4 6 B6R0.2 CC(C)CC(=N)N 4089840 [0,1,0,0,0,0|2,0,1]=4 7 B6R0.3 CN(C)C(=O)CN 4088697 [0,1,0,0,0,0|1,0,1]=3 8 B6R0.3 CNC(C)C(C)C 4089636 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.3 C[C@@H](CN)N(C)C 4051077 [0,1,0,0,0,0|1,0,0]=2 10 B6R0.3 C[C@H](CN)N(C)C 4073390 [0,1,0,0,0,0|1,0,0]=2 11 B6R0.5 CC(C)(C)CNN 4088354 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.5 CNCC(C)(C)C 4088888 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.5 COCC(C)(C)N 4088100 [0,1,0,0,0,0|3,0,0]=4 14 B6R1.2 NC1CCSC1 4014976 [0,0,0,1,0,0|2,1,0]=4 15 B6R1.2 N[C@@H]1CCOC1 4107838 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.2 OC1CCSC1 4030923 [0,0,0,1,0,0|2,1,0]=4 17 B6R1.2 OC1CNOC1 4088318 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.3 CCNC1CC1 4026907 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.5 N[C@H]1C[C@H](O)C1 4088455 [0,0,0,1,0,0|2,0,0]=3 20 B5R0.3 C=C(CC)CN 4074283 [1,1,0,0,0,0|1,0,1]=4 21 B5R0.3 CCC(C)NC 4039876 [1,1,0,0,0,0|1,0,0]=3 22 B5R0.3 CCC(C)NC 4089297 [1,1,0,0,0,0|1,0,0]=3 23 B5R0.3 COC(C)CN 4089925 [1,1,0,0,0,0|2,0,0]=4 24 B5R0.3 CO[C@@H](C)CO 4031352 [1,1,0,0,0,0|1,0,0]=3 25 B5R0.2 COCCNN 4050590 [1,1,0,0,0,0|1,0,0]=3 26 B5R0.2 COCCNN 4089703 [1,1,0,0,0,0|1,0,0]=3 27 B5R0.2 NNCCCO 4090002 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.2 CC[C@@H](N)CN(C)C 4066349 [0,2,0,0,0,0|1,0,0]=3 29 B7R0.2 CC[C@H](N)CN(C)C 4069075 [0,2,0,0,0,0|1,0,0]=3 30 B7R0.2 CN(C)CC(O)CN 4088537 [0,2,0,0,0,0|0,0,0]=2 31 B7R0.2 CNC(C)CC(=O)O 4090195 [0,2,0,0,0,0|1,0,1]=4 32 B7R0.3 CCCOC(C)CN 4089733 [0,2,0,0,0,0|2,0,0]=4 33 B7R0.3 CCN(C)CCNC 4027628 [0,2,0,0,0,0|1,0,0]=3 34 B7R0.5 CN(C)C(=O)CCN 4090962 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.7 CCCC(C)NCC 4090739 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.9 CC(C)CC(C)(C)N 4088334 [0,2,0,0,0,0|2,0,0]=4 37 B7R0.9 CN(C)CC(C)(C)N 4089578 [0,2,0,0,0,0|1,0,0]=3 38 B7R0.16 C[C@@H](C(=O)O)N(C)C 4053971 [0,2,0,0,0,0|0,0,1]=3 39 B7R0.16 C[C@@H](N)C(=O)N(C)C 4082759 [0,2,0,0,0,0|1,0,1]=4 40 B7R0.16 C[C@H](C(=O)O)N(C)C 4078952 [0,2,0,0,0,0|0,0,1]=3 41 B7R0.16 C[C@H](N)C(=O)N(C)C 4059620 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.15 CC[C@@H](CN)N(C)C 4069612 [0,2,0,0,0,0|1,0,0]=3 43 B7R0.15 CC[C@H](CN)N(C)C 4070052 [0,2,0,0,0,0|1,0,0]=3 44 B7R0.4 CC(C)CNCCO 4090750 [0,2,0,0,0,0|1,0,0]=3 45 B7R0.4 CC(C)NCCCN 3020450 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.6 CC(N)CCN(C)C 4033886 [0,2,0,0,0,0|1,0,0]=3 47 B7R0.6 CN(C)CCC(=N)N 4089883 [0,2,0,0,0,0|1,0,0]=3 48 B7R0.8 CC(C)(C)CCCN 4041483 [0,2,0,0,0,0|2,0,0]=4 49 B7R0.8 CC(C)(N)CCCO 4034885 [0,2,0,0,0,0|1,0,0]=3 50 B7R0.8 CCNCC(C)(C)C 4090473 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.8 CCOCC(C)(C)N 4090193 [0,2,0,0,0,0|2,0,0]=4 52 B5R1.4 C[C@@H]1C[C@H]1N 4110616 [1,0,0,1,0,0|2,0,0]=4 53 B5R1.1 C1CNOC1 4089053 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.1 CNC1CCOC1 4003583 [0,1,0,1,0,0|1,0,0]=3 55 B7R1.1 COC1CCNC1 4089940 [0,1,0,1,0,0|2,0,0]=4 56 B7R1.1 CO[C@@H]1CCNC1 4098907 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.1 CO[C@H]1CCNC1 4093842 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.1 OC[C@@H]1CCNC1 4098010 [0,1,0,1,0,0|2,0,0]=4 59 B7R1.2 CN1CC[C@@H](N)C1 4093148 [0,1,0,1,0,0|1,0,0]=3 60 B7R1.2 NC1CCC(O)C1 4094627 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.3 CC1CNCCO1 4090031 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.3 CC1COCCN1 4037925 [0,1,0,1,0,0|1,0,0]=3 64 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.3 NC1CCOCC1 4003544 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.3 NC1CCOCC1 4089666 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.3 N[C@H]1CCCOC1 4105155 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.4 N[C@H]1COC[C@H]1O 4044721 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.10 CCN1CC(O)C1 4089118 [0,1,0,1,0,0|0,0,0]=2 73 B7R1.10 COC1CC(N)C1 4035443 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.10 CO[C@H]1C[C@@H](N)C1 4048109 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.10 CO[C@H]1C[C@@H](O)C1 4069248 [0,1,0,1,0,0|1,0,0]=3 76 B7R1.21 CCCC1(N)CC1 4090398 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.14 CC1(N)CCCC1 4088523 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.26 CC(C)(N)C1CC1 4049152 [0,1,0,1,0,0|2,0,0]=4