0 B5R0.2 COCCNN 4050590 [0,0,0,0,0,0|1,1,0]=2 1 B5R0.2 COCCNN 4089703 [0,0,0,0,0,0|1,1,0]=2 2 B5R0.2 NNCCCO 4090002 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 CCCNN 4088315 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.1 CCOC(C)CN 4089019 [0,1,0,0,0,0|2,0,0]=3 5 B6R0.1 CNCC(C)OC 4089097 [0,1,0,0,0,0|2,1,0]=4 6 B6R0.1 NCCC(O)CO 4051484 [0,1,0,0,0,0|2,0,0]=3 7 B6R0.4 CCCCC(=N)N 4090419 [0,1,0,0,0,0|1,0,1]=3 8 B6R0.4 CNCCC(=O)O 4088781 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.4 CNCCC(N)=O 4090391 [0,1,0,0,0,0|1,0,1]=3 10 B6R0.6 C=CCNCCC 4088685 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.6 CCOCCNC 4089681 [0,1,0,0,0,0|2,0,0]=3 12 B6R1.1 C1CCONC1 4089921 [0,0,0,1,0,0|2,0,0]=3 13 B6R1.2 NC1C=CCC1 4068828 [0,0,0,1,0,0|1,0,1]=3 14 B6R1.2 NC1CCSC1 4014976 [0,0,0,1,0,0|0,0,0]=1 15 B6R1.2 N[C@@H]1CCOC1 4107838 [0,0,0,1,0,0|0,1,0]=2 16 B6R1.2 OC1CCSC1 4030923 [0,0,0,1,0,0|1,0,0]=2 17 B6R1.2 OC1CNOC1 4088318 [0,0,0,1,0,0|2,1,0]=4 18 B6R1.3 CCNC1CC1 4026907 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [0,0,0,1,0,0|2,0,0]=3 20 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [0,0,0,1,0,0|2,0,0]=3 21 B6R1.6 NCC1CCC1 4090412 [0,0,0,1,0,0|1,0,0]=2 22 B5R0.1 COCC(=N)N 4091089 [1,1,0,0,0,0|0,1,1]=4 23 B5R0.3 C=C(CC)CN 4074283 [1,1,0,0,0,0|0,0,1]=3 24 B5R0.3 C=CC(O)CN 4055871 [1,1,0,0,0,0|0,0,2]=4 25 B5R0.3 CCC(C)NC 4039876 [1,1,0,0,0,0|1,0,0]=3 26 B5R0.3 CCC(C)NC 4089297 [1,1,0,0,0,0|1,0,0]=3 27 B5R0.3 CNC(=O)CN 4089909 [1,1,0,0,0,0|1,0,1]=4 28 B5R0.3 COC(C)CN 4089925 [1,1,0,0,0,0|0,1,0]=3 29 B5R0.3 CO[C@@H](C)CO 4031352 [1,1,0,0,0,0|1,1,0]=4 30 B7R0.2 CC[C@@H](N)CN(C)C 4066349 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.2 CC[C@H](N)CN(C)C 4069075 [0,2,0,0,0,0|2,0,0]=4 32 B7R0.2 CN(C)CC(O)CN 4088537 [0,2,0,0,0,0|1,0,0]=3 33 B7R0.3 CCC(=O)NCCN 4028425 [0,2,0,0,0,0|1,0,1]=4 34 B7R0.3 CCCOC(C)CN 4089733 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.3 CCN(C)CCNC 4027628 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.3 CNC(=O)CCCN 4089383 [0,2,0,0,0,0|1,0,0]=3 37 B7R0.3 CNCCC(=O)NC 4088709 [0,2,0,0,0,0|1,0,1]=4 38 B7R0.3 COCC\C(N)=N/O 4090102 [0,2,0,0,0,0|0,1,1]=4 39 B7R0.5 CN(C)C(=O)CCN 4090962 [0,2,0,0,0,0|1,0,1]=4 40 B7R0.7 CCCC(C)NCC 4090739 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.10 CNC(=O)C(C)CN 4089454 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.11 CCS(=O)(=O)CCN 4089975 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.11 COCC(C)(C)CN 4090889 [0,2,0,0,0,0|0,1,0]=3 44 B7R0.4 CC(C)CNCCO 4090750 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.4 CC(C)NCCCN 3020450 [0,2,0,0,0,0|1,0,0]=3 46 B7R0.4 COCCNC(=N)N 4090647 [0,2,0,0,0,0|0,1,1]=4 47 B7R0.6 CC(N)CCN(C)C 4033886 [0,2,0,0,0,0|1,0,0]=3 48 B7R0.6 CN(C)CCC(=N)N 4089883 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.8 CC(C)(C)CCCN 4041483 [0,2,0,0,0,0|1,0,0]=3 50 B7R0.8 CC(C)(N)CCCO 4034885 [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 B7R0.8 CS(=O)(=O)NCCN 4090991 [0,2,0,0,0,0|1,0,1]=4 53 B5R1.1 C1CNOC1 4089053 [1,0,0,1,0,0|0,1,0]=3 54 B5R1.2 OC1CNC1 4088745 [1,0,0,1,0,0|2,0,0]=4 55 B5R1.4 C[C@@H]1C[C@H]1N 4110616 [1,0,0,1,0,0|0,0,0]=2 56 B7R1.1 CCC1C=CCN1 4090190 [0,1,0,1,0,0|1,0,1]=4 57 B7R1.1 CNC1CCOC1 4003583 [0,1,0,1,0,0|0,1,0]=3 58 B7R1.1 COC1CCNC1 4089940 [0,1,0,1,0,0|0,1,0]=3 59 B7R1.1 CO[C@@H]1CCNC1 4098907 [0,1,0,1,0,0|0,1,0]=3 60 B7R1.1 CO[C@H]1CCNC1 4093842 [0,1,0,1,0,0|0,1,0]=3 61 B7R1.1 OC[C@@H]1CCNC1 4098010 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.2 CN1CC[C@@H](N)C1 4093148 [0,1,0,1,0,0|1,0,0]=3 63 B7R1.2 NC1CCC(O)C1 4094627 [0,1,0,1,0,0|1,0,0]=3 64 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,1,0,1,0,0|1,0,0]=3 65 B7R1.3 CC1CNCCO1 4090031 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.3 CC1COCCN1 4037925 [0,1,0,1,0,0|1,0,0]=3 67 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.3 NC1C=CCCC1 4075151 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.3 NC1CC=CCC1 4110793 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.3 NC1CCOCC1 4003544 [0,1,0,1,0,0|0,1,0]=3 71 B7R1.3 NC1CCOCC1 4089666 [0,1,0,1,0,0|0,1,0]=3 72 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,1,0,1,0,0|0,1,0]=3 73 B7R1.3 N[C@H]1CCCOC1 4105155 [0,1,0,1,0,0|0,1,0]=3 74 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.4 NC1CCNC1=O 4019954 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.4 N[C@H]1COC[C@H]1O 4044721 [0,1,0,1,0,0|0,1,0]=3 80 B7R1.4 O[C@H]1CNC[C@@H]1O 4093726 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.6 CNCC1CCC1 4089393 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.10 COC1CC(N)C1 4035443 [0,1,0,1,0,0|0,1,0]=3 83 B7R1.10 CO[C@H]1C[C@@H](N)C1 4048109 [0,1,0,1,0,0|0,1,0]=3 84 B7R1.10 CO[C@H]1C[C@@H](O)C1 4069248 [0,1,0,1,0,0|1,1,0]=4 85 B7R1.21 CCCC1(N)CC1 4090398 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.25 CC1(CO)CNC1 4074448 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.14 CC1(N)CCCC1 4088523 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.24 C1=CCCNCC1 4110732 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.24 C1CNCCOC1 4036691 [0,1,0,1,0,0|0,1,0]=3 90 B7R1.24 C1CNCCOC1 4088544 [0,1,0,1,0,0|0,1,0]=3