0 B5R0.2 C#CCCCBr 4079721 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCCCN 4063954 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C=CCCCN 4075680 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C=CCCNC 4110731 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 CNCCSC 4036386 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 COCCNN 4108243 [0,0,0,0,0,0|3,1,0]=4 6 B5R0.2 NNCCCO 4085333 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.2 CCCNN 4085300 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 CCC(C)CCN 4015078 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.1 CCC(O)CNN 4030953 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.1 CCCC(=O)NN 3002586 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.1 CCCC(N)CC 4028240 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.1 CCCC(N)CC 4088911 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.1 CCC\C(N)=N\O 4030621 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.1 CCC\C(N)=N\O 4089955 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.1 CCNC(C)CC 4024881 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.1 CCNC(C)CC 4089770 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.1 CCNC(C)CO 4027506 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.1 CCOC(C)CN 4029821 [0,1,0,0,0,0|2,1,0]=4 19 B6R0.1 CNC(=O)CCCl 4027989 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.1 CNC(=O)CCO 4035059 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.1 CNC(C)CCO 4027121 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.1 CNCC(=O)NC 4033340 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.1 CNCC(C)OC 4031677 [0,1,0,0,0,0|2,1,0]=4 24 B6R0.1 COC(=O)CCO 4041011 [0,1,0,0,0,0|2,1,0]=4 25 B6R0.1 COC(C)CCN 4043534 [0,1,0,0,0,0|2,1,0]=4 26 B6R0.1 COCC(N)CO 4030437 [0,1,0,0,0,0|2,1,0]=4 27 B6R0.1 COCC(O)CN 4001723 [0,1,0,0,0,0|2,1,0]=4 28 B6R0.4 CC(C)SCCN 4012669 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.4 CC(C)SCCN 4089980 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.4 CCCCC(=N)N 4012905 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.4 COCCC(C)=O 4022132 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.4 CSCCC(=N)N 4042665 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.6 C=CCCCCN 4067494 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.6 C=CCNCCC 4031693 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.6 CCCSCCN 4033597 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.6 CCCSCCN 4089004 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.6 CCOCCNC 4030249 [0,1,0,0,0,0|1,1,0]=3 38 B6R0.6 CNCCCOC 4021520 [0,1,0,0,0,0|1,1,0]=3 39 B6R0.6 COCCN=C=O 4027817 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.6 FCCCCCBr 4041608 [0,1,0,0,0,0|3,0,0]=4 41 B6R1.1 C1CCONC1 4013260 [0,0,0,1,0,0|1,1,0]=3 42 B6R1.2 CC1CNOC1 4040895 [0,0,0,1,0,0|1,1,0]=3 43 B6R1.2 NC1CCOC1 4003522 [0,0,0,1,0,0|2,1,0]=4 44 B6R1.2 OC1CNOC1 4044152 [0,0,0,1,0,0|2,1,0]=4 45 B6R1.3 CCNC1CC1 4110570 [0,0,0,1,0,0|2,0,0]=3 46 B6R1.3 CNCC1CC1 4033531 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.6 NCC1CCC1 4003518 [0,0,0,1,0,0|3,0,0]=4 48 B5R0.1 CC(N)CCO 4027026 [1,1,0,0,0,0|1,1,0]=4 49 B5R0.1 CC(O)CNN 4028962 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.1 CNCC(C)O 4035012 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.3 CC[C@@H](O)CN 4036900 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.3 CNC(C)CO 4028640 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.3 COC(C)CN 4031070 [1,1,0,0,0,0|1,1,0]=4 54 B5R0.3 COC(C)CO 4045600 [1,1,0,0,0,0|1,1,0]=4 55 B7R0.2 CCC(C)CC(C)=O 4031282 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.2 CCC(N)CN(C)C 4026183 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.2 CNC(C)CC(C)C 4027376 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.2 CNC(C)CC(C)C 4089905 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.3 CCCNC(C)CO 4027950 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.3 CCCOC(C)CN 4031060 [0,2,0,0,0,0|1,1,0]=4 61 B7R0.3 CCN(C)CCCCl 4032711 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.3 CCN(C)CCCCl 4090852 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.3 CCN(C)CCCO 4027001 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.3 CCOCC(O)CN 4001724 [0,2,0,0,0,0|1,1,0]=4 65 B7R0.3 CNC(=O)CCCN 4030090 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.3 CNCCC(=O)NC 4030744 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.7 CCCC(C)NCC 4024861 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.7 CCNC(C)CCO 4027124 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.7 CCOC(C)CNC 4030660 [0,2,0,0,0,0|1,1,0]=4 70 B7R0.7 CNCC(O)COC 4035032 [0,2,0,0,0,0|1,1,0]=4 71 B7R0.10 CCC(N)C(=O)NC 4033837 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.12 CCOC(CC)CN 4031082 [0,2,0,0,0,0|1,1,0]=4 73 B7R0.12 CCOC(CC)CN 4091080 [0,2,0,0,0,0|1,1,0]=4 74 B7R0.4 CC(=O)NCCCO 4032317 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.4 CC(C)CNCCO 4029069 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.4 CC(C)NCCCO 4088008 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.4 CC(C)NCCCO 5116284 [0,2,0,0,0,0|2,0,0]=4 78 B7R0.4 CC(C)OCCCO 4034289 [0,2,0,0,0,0|1,1,0]=4 79 B7R0.4 CCCCNC(C)C 4024831 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.4 CCCSCC(=O)O 4028731 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.4 CCSCCC(=O)O 4028457 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.6 CC(C)CNC(C)C 4028720 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.6 CC(C)CNC(C)C 4090247 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.8 CC(C)(C)SCCN 4028606 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.8 CCNCC(C)(C)C 4017478 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.8 CCOCC(C)(C)N 4026868 [0,2,0,0,0,0|1,1,0]=4 87 B7R0.8 CNCCC(C)(C)O 4021555 [0,2,0,0,0,0|2,0,0]=4 88 B5R1.1 C1CNOC1 4013261 [1,0,0,1,0,0|1,1,0]=4 89 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|2,0,0]=4 90 B5R1.2 FC1CNC1 4108317 [1,0,0,1,0,0|2,0,0]=4 91 B5R1.2 OC1CCC1 4034696 [1,0,0,1,0,0|1,1,0]=4 92 B5R1.2 OC1CNC1 4002252 [1,0,0,1,0,0|2,0,0]=4 93 B5R1.2 OC1CSC1 4042896 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.1 BrCC1CCOC1 4037584 [0,1,0,1,0,0|1,1,0]=4 95 B7R1.1 CCC1C=CCN1 4030606 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.1 CCC1CCNC1 4018760 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.1 COC1CCNC1 4029717 [0,1,0,1,0,0|1,1,0]=4 98 B7R1.1 NCC1CCCC1 4018103 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.1 NCC1CCCC1 4110554 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.1 NCC1CCOC1 4037969 [0,1,0,1,0,0|1,1,0]=4 101 B7R1.1 OCC1CCNC1 4003674 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.2 CC1CNC(=O)C1 4026755 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.2 CN1CCC(N)C1 4035974 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.3 BrC1CCCOC1 4032123 [0,1,0,1,0,0|1,1,0]=4 105 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.3 CC1CNCCO1 4019021 [0,1,0,1,0,0|1,1,0]=4 107 B7R1.3 C[C@@H]1COCCN1 4037047 [0,1,0,1,0,0|1,1,0]=4 108 B7R1.3 C[C@H]1CNCCO1 4038541 [0,1,0,1,0,0|1,1,0]=4 109 B7R1.3 NC1CCCOC1 4018204 [0,1,0,1,0,0|1,1,0]=4 110 B7R1.3 O=C1CCCSC1 4021743 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.6 CNCC1CCC1 4031455 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.6 NCCC1CCC1 4036646 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.10 CCN1CC(O)C1 4042847 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.21 CCCC1(N)CC1 4021536 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.22 CCC(N)C1CC1 4044918 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.25 CC1(CO)CSC1 4048667 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.7 CCCNC1CC1 4028302 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.7 CCCNC1CC1 4110664 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.7 CCNCC1CC1 4034470 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.7 CCNCC1CC1 4110755 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.14 CC1(C)CCCN1 4020218 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.14 CC1(C)CCNC1 4018853 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.14 CC1(N)CCCC1 4017355 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.20 CC(=O)CC1CC1 4002838 [0,1,0,1,0,0|2,0,0]=4 125 B7R2.1 C1CC1C2CO2 4051061 [0,0,0,2,0,0|1,1,0]=4