0 B7R0.7 CCOC(=O)C#CC AB01182 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCOC(=N)CCl AB60917 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.1 CCOC(=N)CO AB60920 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.6 CCCNCCC AB02251 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.22 CCOC(C#N)OCC AB01964 [0,1,0,0,0,0|0,0,1]=2 5 B8R0.22 CCOC(CBr)OCC PB25876 [0,1,0,0,0,0|0,0,0]=1 6 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.4 CC1CC(CCN1)O PB10241 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.4 CC1CC(CCO1)O PB22789 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.4 CC1COCC(N1)C AB02607 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.4 C[C@@H]1CNC[C@@H](N1)C PB23510 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.4 C[C@@H]1CNC[C@H](N1)C AB48105 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.4 C[C@@H]1COC[C@@H](N1)C PB22631 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.4 C[C@H]1CNC[C@@H](N1)C AB48104 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.4 C[C@H]1COC[C@@H](N1)C MB13620 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.6 CCOC1CC(C1)N PB35675 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.6 CCO[C@H]1C[C@@H](C1)N PB36228 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.6 CCO[C@H]1C[C@H](C1)N PB37547 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.8 C1CC(NC1)CCO CB10162 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.8 C1CC(NC1)CCO PB35354 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.8 C1CC(OC1)CC#N MB02666 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.8 C1CC(OC1)CC=O AB76318 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.8 C1CC(OC1)CCI AB76593 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.8 C1CC(OC1)CCN AB30605 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.8 C1CCC(C1)CCN AB02350 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.8 CCCC1CCCN1 AB12028 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.8 CCO[C@@H]1CCNC1 PB10951 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.8 CCO[C@H]1CCNC1 PB29117 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.8 COC[C@@H]1CCCN1 PB10025 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.8 COC[C@H]1CCCN1 PB15637 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.22 CC1CCNCCN1 PB17623 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.22 C[C@H]1CNCCCN1 AB72341 [0,0,0,1,0,0|3,0,0]=4 42 B5R0.3 C[C@@H](CO)NC AB31545 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.3 C[C@H](CO)OCOC AB53701 [1,1,0,0,0,0|1,0,0]=3 44 B7R0.11 CCO[C@@](C)(CO)O AB31299 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.35 CCOC(=N)C(=O)OCC AB60910 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.15 CCOC(C(=N)N)OCC AB60895 [0,2,0,0,0,0|0,0,1]=3 47 B9R0.59 CCOC(C)(CN)OCC AB23409 [0,2,0,0,0,0|0,0,0]=2 48 B7R1.1 C1CC(OC1)CI AB24846 [1,0,0,1,0,0|1,0,0]=3 49 B7R1.1 C1CC(OC1)CN AB00408 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.1 C1CCC(C1)CBr AB50196 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.1 C1CCC(C1)CI AB15507 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.1 C1CCC(C1)CN AB17884 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.1 C1C[C@@H](NC1)CO PB21663 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.1 C1C[C@H](NC1)CF PB15907 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.1 C1C[C@H](NC1)CN PB13488 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.1 C1C[C@H](NC1)CO PB30520 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.1 CCC1CCCN1 AB12042 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.1 CCC1CCNC1 AB41905 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.1 CC[C@@H]1CCNC1 AB74297 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.1 COC1CCNC1 PB31357 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.1 CO[C@@H]1CCNC1 PB20659 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.1 CO[C@@H]1CCNC1 PB26535 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.1 CO[C@H]1CCNC1 PB10788 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.3 C1CCNC(C1)O MB03551 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.3 C1COC(CN1)O CB11808 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 CC1CNCCO1 PB23610 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.3 CC1COCCN1 AB49614 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 C[C@@H]1CNCCN1 AB04653 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 C[C@@H]1CNCCO1 PB14859 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.3 C[C@@H]1COCCN1 AB62216 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 C[C@H]1CNCCN1 AB04288 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.3 C[C@H]1CNCCN1 AB14223 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.3 C[C@H]1CNCCN1 AB63406 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.3 C[C@H]1CNCCO1 PB26597 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.3 C[C@H]1COCCN1 AB16412 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.6 C1CC(C1)CCN PB23748 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.6 CCNC1COC1 PB13879 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.6 CCOC1CNC1 AB30388 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.10 COC1CC(C1)N PB11210 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.10 CO[C@H]1C[C@@H](C1)N PB15524 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.10 CO[C@H]1C[C@@H](C1)N PB36079 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.10 CO[C@H]1C[C@H](C1)N PB16800 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.10 CO[C@H]1C[C@H](C1)N PB37429 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.25 CC1(CCC1)CN PB11165 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.25 CC1(CNC1)OC PB25362 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.8 C1CC(COC1)CCN MB05843 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.8 C1CCOC(C1)CCN AB28415 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.8 CCCC1CNCCO1 AB70522 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.8 CCCC1COCCN1 AB53847 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.8 CCOC1CCNCC1 AB30382 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.8 CNCC1CCCCO1 AB45928 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.8 CNCC1COCCO1 AB16898 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.12 CCCCC1CCCN1 AB12052 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.34 CC1CC(CC(N1)C)O MB01439 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.14 CCN1CCCC1CN PB19842 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.14 CCN1CCC[C@@H]1CN AB53972 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.14 CCN1CCC[C@@H]1CN PB18512 [0,1,0,1,0,0|2,0,0]=4 102 B9R2.68 C1C[C@@H]2CC[C@H](C1)N2 PB15162 [0,0,0,2,0,0|2,0,0]=4 103 B9R2.68 C1C[C@H]2CNC[C@@H]1O2 PB19030 [0,0,0,2,0,0|2,0,0]=4 104 B9R2.3 C1CC2CCNC2C1 MB13581 [0,0,0,2,0,0|2,0,0]=4 105 B9R2.3 C1COC2C1CNC2 PB24169 [0,0,0,2,0,0|2,0,0]=4 106 B9R2.173 C1CC2(C1)CCCN2 PB13614 [0,0,0,2,0,0|2,0,0]=4 107 B9R2.173 C1CC2(CNC2)OC1 PB18332 [0,0,0,2,0,0|2,0,0]=4 108 B9R2.173 C1CCC2(C1)CCN2 PB12596 [0,0,0,2,0,0|2,0,0]=4 109 B9R2.173 C1CNCC12CCO2 PB16773 [0,0,0,2,0,0|2,0,0]=4 110 B9R2.173 C1CNCC12CCO2 PB38333 [0,0,0,2,0,0|2,0,0]=4