0 B6R1.1 C1=CCONC1 4044151 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.1 C1CCONC1 4013260 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 BrC1CCCOC1 4032123 [0,1,0,0,0,0|1,0,0]=2 3 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,0,0,0|1,0,2]=4 4 B7R1.3 CC1CNCCO1 4019021 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.3 C[C@@H]1COCCN1 4037047 [0,1,0,0,0,0|2,0,0]=3 6 B7R1.3 C[C@H]1CNCCO1 4038541 [0,1,0,0,0,0|2,0,0]=3 7 B7R1.3 NC1CCCOC1 4018204 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 O=C1CCCSC1 4021743 [0,1,0,0,0,0|1,0,1]=3 9 B7R1.3 O=C1CNCCN1 4102110 [0,1,0,0,0,0|2,0,1]=4 10 B7R1.3 O=C1NCCCO1 4035958 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.2 C#CCCCBr 4079721 [0,0,1,0,0,0|1,0,2]=4 12 B5R0.2 C#CCCCN 4063954 [0,0,1,0,0,0|1,0,2]=4 13 B5R0.2 C=CCCCN 4075680 [0,0,1,0,0,0|1,0,2]=4 14 B5R0.2 C=CCCNC 4110731 [0,0,1,0,0,0|1,0,2]=4 15 B5R0.2 CNCCSC 4036386 [0,0,1,0,0,0|2,0,0]=3 16 B5R0.2 COCCNN 4108243 [0,0,1,0,0,0|3,0,0]=4 17 B5R0.2 NNCCCO 4085333 [0,0,1,0,0,0|3,0,0]=4 18 B5R1.1 C1CNOC1 4013261 [0,0,0,0,1,0|2,0,0]=3 19 B4R0.2 CCCNN 4085300 [1,0,1,0,0,0|2,0,0]=4 20 B6R0.1 CCC(C)CCN 4015078 [0,1,1,0,0,0|1,0,0]=3 21 B6R0.1 CCC(O)CNN 4030953 [0,1,1,0,0,0|2,0,0]=4 22 B6R0.1 CCCC(N)CC 4028240 [0,1,1,0,0,0|0,0,0]=2 23 B6R0.1 CCCC(N)CC 4088911 [0,1,1,0,0,0|0,0,0]=2 24 B6R0.1 CCNC(C)CC 4024881 [0,1,1,0,0,0|1,0,0]=3 25 B6R0.1 CCNC(C)CC 4089770 [0,1,1,0,0,0|1,0,0]=3 26 B6R0.1 CCNC(C)CO 4027506 [0,1,1,0,0,0|2,0,0]=4 27 B6R0.1 CCOC(C)CN 4029821 [0,1,1,0,0,0|2,0,0]=4 28 B6R0.1 CNC(C)CCO 4027121 [0,1,1,0,0,0|2,0,0]=4 29 B6R0.1 CNCC(C)OC 4031677 [0,1,1,0,0,0|2,0,0]=4 30 B6R0.1 COC(C)CCN 4043534 [0,1,1,0,0,0|2,0,0]=4 31 B6R0.1 COCC(N)CO 4030437 [0,1,1,0,0,0|2,0,0]=4 32 B6R0.1 COCC(O)CN 4001723 [0,1,1,0,0,0|2,0,0]=4 33 B6R0.4 CC(C)SCCN 4012669 [0,1,1,0,0,0|2,0,0]=4 34 B6R0.4 CC(C)SCCN 4089980 [0,1,1,0,0,0|2,0,0]=4 35 B6R0.4 CCCCC(=N)N 4012905 [0,1,1,0,0,0|1,0,1]=4 36 B6R0.4 COCCC(C)=O 4022132 [0,1,1,0,0,0|1,0,1]=4 37 B6R0.6 C=CCCCCN 4067494 [0,1,1,0,0,0|0,0,2]=4 38 B6R0.6 C=CCNCCC 4031693 [0,1,1,0,0,0|0,0,2]=4 39 B6R0.6 CCCSCCN 4033597 [0,1,1,0,0,0|1,0,0]=3 40 B6R0.6 CCCSCCN 4089004 [0,1,1,0,0,0|1,0,0]=3 41 B6R0.6 CCOCCNC 4030249 [0,1,1,0,0,0|1,0,0]=3 42 B6R0.6 CNCCCOC 4021520 [0,1,1,0,0,0|1,0,0]=3 43 B6R0.6 FCCCCCBr 4041608 [0,1,1,0,0,0|1,0,0]=3 44 B6R1.2 CC1CNOC1 4040895 [0,1,0,0,1,0|2,0,0]=4 45 B6R1.2 NC1CCOC1 4003522 [0,1,0,0,1,0|1,0,0]=3 46 B6R1.2 OC1CNOC1 4044152 [0,1,0,0,1,0|2,0,0]=4 47 B8R1.22 CC1CCCCCN1 4043402 [0,1,0,0,0,1|0,0,0]=2 48 B8R1.22 CC1CCCNCC1 4041336 [0,1,0,0,0,1|0,0,0]=2 49 B8R1.22 O=C1CCNCCN1 4131005 [0,1,0,0,0,1|1,0,1]=4 50 B8R1.22 O=C1CCSCCN1 4036022 [0,1,0,0,0,1|1,0,1]=4 51 B8R1.22 O=C1CNCCCN1 4015468 [0,1,0,0,0,1|1,0,1]=4 52 B8R1.22 O=C1CSCCSC1 4004797 [0,1,0,0,0,1|1,0,1]=4 53 B8R1.22 OC1CCCNCC1 4030734 [0,1,0,0,0,1|0,0,0]=2 54 B8R1.2 BrCC1CCCOC1 4046211 [0,2,0,0,0,0|1,0,0]=3 55 B8R1.2 C=CC1CCCNC1 4108333 [0,2,0,0,0,0|1,0,0]=3 56 B8R1.2 C=CC1CCNCC1 4062882 [0,2,0,0,0,0|1,0,0]=3 57 B8R1.2 CCC1CCCNC1 4018855 [0,2,0,0,0,0|1,0,0]=3 58 B8R1.2 CCC1CCNCC1 4004580 [0,2,0,0,0,0|1,0,0]=3 59 B8R1.2 CCC1CCNCC1 4110368 [0,2,0,0,0,0|1,0,0]=3 60 B8R1.2 CCC1CNCCN1 4029768 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.2 CCC1CNCCO1 4018983 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.2 CCC1COCCN1 4021665 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.2 CCC1COCCN1 4087890 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.2 CNC1CCOCC1 4003545 [0,2,0,0,0,0|1,0,0]=3 65 B8R1.2 CNC1CCSCC1 4036158 [0,2,0,0,0,0|1,0,0]=3 66 B8R1.2 COC1CCCNC1 4002969 [0,2,0,0,0,0|1,0,0]=3 67 B8R1.2 COC1CCCNC1 4087774 [0,2,0,0,0,0|1,0,0]=3 68 B8R1.2 COC1CCCNC1 4088818 [0,2,0,0,0,0|1,0,0]=3 69 B8R1.2 COC1CCNCC1 4002968 [0,2,0,0,0,0|1,0,0]=3 70 B8R1.2 COC1CCNCC1 4088815 [0,2,0,0,0,0|1,0,0]=3 71 B8R1.2 ClCC1COCCO1 4015243 [0,2,0,0,0,0|2,0,0]=4 72 B8R1.2 N#CC1CCCNC1 4009818 [0,2,0,0,0,0|1,0,0]=3 73 B8R1.2 N#CC1CCNCC1 4009819 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.2 N#CC1CCNCC1 4088035 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.2 N#CC1CCOCC1 4026815 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.2 N#CC1COCCO1 4063365 [0,2,0,0,0,0|2,0,0]=4 77 B8R1.2 NCC1=CCCCC1 4019756 [0,2,0,0,0,0|0,0,2]=4 78 B8R1.2 NCC1CCCCO1 4087791 [0,2,0,0,0,0|1,0,0]=3 79 B8R1.2 NCC1CCCOC1 4014028 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.2 NCC1CCCOC1 4087864 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.2 NCC1CCOCC1 4004281 [0,2,0,0,0,0|1,0,0]=3 82 B8R1.2 NCC1CCOCC1 4089498 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.2 NCC1COCCO1 4101741 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.2 OCC1CCCOC1 4027028 [0,2,0,0,0,0|1,0,0]=3 85 B8R1.2 OCC1CCOCC1 4027097 [0,2,0,0,0,0|1,0,0]=3 86 B8R1.2 OCC1COCCN1 4027853 [0,2,0,0,0,0|2,0,0]=4 87 B8R1.2 OCC1COCCO1 4015242 [0,2,0,0,0,0|2,0,0]=4 88 B8R1.3 CN1CCC(N)CC1 4003460 [0,2,0,0,0,0|1,0,0]=3 89 B8R1.3 O=C1CCC(O)CC1 4029093 [0,2,0,0,0,0|0,0,1]=3 90 B8R1.4 CC1CCCC(=O)N1 4027532 [0,2,0,0,0,0|1,0,1]=4 91 B8R1.4 CC1CN(C)CCN1 4050805 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.4 CN1CCCC(N)C1 4004054 [0,2,0,0,0,0|1,0,0]=3 93 B8R1.4 C[C@@H]1CN(C)CCN1 4066708 [0,2,0,0,0,0|2,0,0]=4 94 B8R1.4 C[C@H]1CN(C)CCN1 4004800 [0,2,0,0,0,0|2,0,0]=4 95 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [0,2,0,0,0,0|0,0,0]=2 96 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [0,2,0,0,0,0|0,0,0]=2 97 B8R1.5 CC1CNCCN1C 4002085 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.5 CC1CNCCN1C 4089459 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.5 C[C@@H]1CNCCN1C 4062996 [0,2,0,0,0,0|2,0,0]=4 100 B8R1.5 C[C@H]1CNCCN1C 4069956 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [0,2,0,0,0,0|1,0,0]=3 102 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [0,2,0,0,0,0|1,0,0]=3 103 B8R1.5 NC1CCCNC1=O 4002400 [0,2,0,0,0,0|1,0,1]=4 104 B8R1.5 N[C@@H]1COCC[C@@H]1O 4091253 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.5 N[C@@H]1COCC[C@H]1O 4080370 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.5 N[C@H]1CCOC[C@@H]1O 4051506 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.5 O[C@H]1CCNC[C@H]1O 4034770 [0,2,0,0,0,0|1,0,0]=3 108 B8R1.72 CC1(C)CCCNC1 4029954 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.72 CC1(C)CCNCC1 4023814 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.72 CC1(C)CNCCO1 4017656 [0,2,0,0,0,0|2,0,0]=4 111 B8R1.72 CC1(N)CCCCC1 4017356 [0,2,0,0,0,0|0,0,0]=2 112 B8R1.72 CC1(O)CCCNC1 4016060 [0,2,0,0,0,0|1,0,0]=3 113 B8R1.72 O=S1(=O)CCNCC1 4014927 [0,2,0,0,0,0|2,0,0]=4 114 B6R1.3 CCNC1CC1 4110570 [0,0,1,1,0,0|1,0,0]=3 115 B6R1.3 CNCC1CC1 4033531 [0,0,1,1,0,0|1,0,0]=3 116 B6R1.6 NCC1CCC1 4003518 [0,0,1,1,0,0|1,0,0]=3 117 B8R2.2 CC12CNCC1C2 4043501 [0,1,0,1,0,0|1,0,0]=3 118 B8R2.34 C1CC2CC1CN2 4100721 [0,1,0,1,0,0|1,0,0]=3 119 B8R2.34 C1CC2CCC1N2 4021192 [0,1,0,1,0,0|0,0,0]=2