0 B6R1.2 NC1C=CCC1 4068828 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 NC1CCSC1 4014976 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 N[C@@H]1CCOC1 4107838 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 OC1CCSC1 4030923 [0,0,0,0,0,0|2,0,2]=4 4 B5R1.1 C1CNOC1 4089053 [1,0,0,0,0,0|1,0,0]=2 5 B7R1.2 CN1CC[C@@H](N)C1 4093148 [0,1,0,0,0,0|3,0,0]=4 6 B7R1.2 NC1CCC(O)C1 4094627 [0,1,0,0,0,0|1,0,2]=4 7 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,1,0,0,0,0|1,0,2]=4 8 B7R1.4 NC1CCNC1=O 4019954 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.14 CC1(N)CCCC1 4088523 [0,1,0,0,0,0|2,0,1]=4 12 B5R0.1 COCC(=N)N 4091089 [0,0,1,0,0,0|3,0,0]=4 13 B5R0.2 NNCCCO 4090002 [0,0,1,0,0,0|2,0,0]=3 14 B5R0.3 C=C(CC)CN 4074283 [0,0,1,0,0,0|3,0,0]=4 15 B5R0.3 CCC(C)NC 4039876 [0,0,1,0,0,0|2,0,1]=4 16 B5R0.3 CCC(C)NC 4089297 [0,0,1,0,0,0|2,0,1]=4 17 B5R0.3 CNC(=O)CN 4089909 [0,0,1,0,0,0|2,0,0]=3 18 B5R0.3 COC(C)CN 4089925 [0,0,1,0,0,0|2,0,1]=4 19 B5R0.3 CO[C@@H](C)CO 4031352 [0,0,1,0,0,0|2,0,1]=4 20 B5R1.2 OC1CNC1 4088745 [0,0,0,0,1,0|1,0,2]=4 21 B7R1.3 CC1CNCCO1 4090031 [0,0,0,0,0,1|1,0,1]=3 22 B7R1.3 CC1COCCN1 4037925 [0,0,0,0,0,1|2,0,1]=4 23 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,0,0,0,0,1|1,0,1]=3 24 B7R1.3 NC1C=CCCC1 4075151 [0,0,0,0,0,1|2,0,1]=4 25 B7R1.3 NC1CCOCC1 4003544 [0,0,0,0,0,1|2,0,1]=4 26 B7R1.3 NC1CCOCC1 4089666 [0,0,0,0,0,1|2,0,1]=4 27 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,0,0,0,0,1|1,0,1]=3 28 B7R1.3 N[C@H]1CCCOC1 4105155 [0,0,0,0,0,1|1,0,1]=3 29 B4R0.2 CCCNN 4088315 [1,0,1,0,0,0|2,0,0]=4 30 B6R0.1 CCOC(C)CN 4089019 [0,1,1,0,0,0|1,0,1]=4 31 B6R0.2 CC(=O)CC(C)N 4022442 [0,1,1,0,0,0|1,0,0]=3 32 B6R0.2 CC(=O)CC(C)N 4089784 [0,1,1,0,0,0|1,0,0]=3 33 B6R0.2 CC(C)CC(=N)N 4089840 [0,1,1,0,0,0|2,0,0]=4 34 B6R0.3 CN[C@@H](C)C(N)=O 4077652 [0,1,1,0,0,0|2,0,0]=4 35 B6R0.3 CN[C@H](C)C(N)=O 4076581 [0,1,1,0,0,0|2,0,0]=4 36 B6R0.4 CCCCC(=N)N 4090419 [0,1,1,0,0,0|2,0,0]=4 37 B6R0.4 CNCCC(=O)O 4088781 [0,1,1,0,0,0|0,0,0]=2 38 B6R0.4 CNCCC(N)=O 4090391 [0,1,1,0,0,0|1,0,0]=3 39 B6R0.6 C=CCNCCC 4088685 [0,1,1,0,0,0|2,0,0]=4 40 B6R0.6 CCOCCNC 4089681 [0,1,1,0,0,0|1,0,1]=4 41 B6R0.9 CCC(CN)OC 4090078 [0,1,1,0,0,0|1,0,1]=4 42 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [0,1,0,0,1,0|0,0,2]=4 43 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [0,1,0,0,1,0|0,0,2]=4 44 B6R1.5 N[C@H]1C[C@H](O)C1 4088455 [0,1,0,0,1,0|0,0,2]=4 45 B6R1.6 NCC1CCC1 4090412 [0,1,0,0,1,0|1,0,1]=4 46 B8R1.2 NCC1=CCCCC1 4089848 [0,1,0,0,0,1|2,0,0]=4 47 B8R1.2 NCC1CCCCO1 4003524 [0,1,0,0,0,1|1,0,1]=4 48 B8R1.2 NCC1CCCOC1 4088037 [0,1,0,0,0,1|1,0,1]=4 49 B8R1.2 NCC1COCCO1 4087967 [0,1,0,0,0,1|1,0,1]=4 50 B8R1.3 CC1CNC(=O)CN1 4045852 [0,1,0,0,0,1|1,0,0]=3 51 B8R1.3 C[C@@H]1CNC(=O)CN1 4090663 [0,1,0,0,0,1|1,0,0]=3 52 B8R1.3 C[C@H]1CNC(=O)CN1 4089619 [0,1,0,0,0,1|1,0,0]=3 53 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,1,0,0,0,1|1,0,0]=3 54 B8R1.4 CC1CNCC(=O)N1 4049339 [0,1,0,0,0,1|1,0,0]=3 55 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,1,0,0,0,1|1,0,0]=3 56 B8R1.4 O=C1CNCC(=O)N1 4090724 [0,1,0,0,0,1|1,0,1]=4 57 B8R1.5 CN1CCNCC1=O 4090061 [0,1,0,0,0,1|1,0,0]=3 58 B8R1.5 NC1CCCNC1=O 4089547 [0,1,0,0,0,1|1,0,0]=3 59 B8R1.5 N[C@H]1CCOC[C@H]1O 4091235 [0,1,0,0,0,1|0,0,2]=4 60 B8R1.5 O=C1CCCNC1=O 4038506 [0,1,0,0,0,1|1,0,0]=3 61 B8R1.72 O=S1(=O)CCNCC1 4089409 [0,1,0,0,0,1|2,0,0]=4 62 B8R1.72 O=S1(=O)COCCN1 4039479 [0,1,0,0,0,1|2,0,0]=4 63 B8R1.1 CCC1CCC(=O)N1 4027451 [0,2,0,0,0,0|1,0,0]=3 64 B8R1.1 CCC1CNC(=O)C1 4026756 [0,2,0,0,0,0|1,0,0]=3 65 B8R1.1 NCC1CCC(=O)N1 4111537 [0,2,0,0,0,0|1,0,0]=3 66 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,2,0,0,0,0|0,0,0]=2 67 B8R1.8 OCCC1CCCO1 4016666 [0,2,0,0,0,0|0,0,2]=4 68 B8R1.52 CC1(CN)CCCO1 4018199 [0,2,0,0,0,0|1,0,1]=4 69 B8R1.51 NC1CCS(=O)(=O)C1 4087954 [0,2,0,0,0,0|2,0,0]=4 70 B6R1.1 C1CCONC1 4089921 [0,0,1,1,0,0|1,0,1]=4 71 B8R1.22 CC1CNCCCO1 4041125 [0,0,0,0,0,2|1,0,1]=4 72 B8R1.22 O=C1CCNCCN1 4090378 [0,0,0,0,0,2|1,0,0]=3 73 B8R1.22 OC1COCCOC1 4070066 [0,0,0,0,0,2|0,0,2]=4