0 B5R0.1 CC(C)N=C=O AB00193 [1,0,0,0,0,0|1,0,1]=3 1 B5R0.2 COCCON MB08235 [1,0,0,0,0,0|2,1,0]=4 2 B5R0.3 C(=O)C(C=O)Br PB21703 [1,0,0,0,0,0|3,0,0]=4 3 B5R0.3 CCC(=O)C=O AB21438 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.3 C[C@@H](CO)NC AB31545 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.2 CCC(CC(=O)O)N AB01525 [0,1,0,0,0,0|2,0,0]=3 6 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,1,0,0,0,0|0,1,2]=4 7 B7R0.11 CCC(C)(C)N=C=O AB71532 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.1 C1C=CCC1C=O AB76805 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.1 C1C=CCC1CBr AB76476 [0,0,0,1,0,0|3,0,0]=4 10 B7R1.1 C1C=CCC1CO PB12789 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.1 CCC1CCNC1 AB41905 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.1 CNC1CCOC1 PB17482 [0,0,0,1,0,0|1,0,2]=4 14 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.1 COC1CCNC1 PB31357 [0,0,0,1,0,0|1,1,1]=4 17 B7R1.1 CO[C@@H]1CCNC1 PB20659 [0,0,0,1,0,0|1,1,1]=4 18 B7R1.1 CO[C@@H]1CCNC1 PB26535 [0,0,0,1,0,0|1,1,1]=4 19 B7R1.1 CO[C@H]1CCNC1 PB10788 [0,0,0,1,0,0|1,1,1]=4 20 B7R1.1 CSC1=NC=NC1 CB10764 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 C1C(CNC1=O)N PB17844 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.2 CN1CCC(=O)C1 PB26542 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.3 CC1CNCCO1 PB23610 [0,0,0,1,0,0|2,1,0]=4 28 B7R1.3 CC1COCCN1 AB49614 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,0,0,1,0,0|2,1,0]=4 31 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,0,0,1,0,0|2,1,0]=4 36 B7R1.3 C[C@H]1COCCN1 AB16412 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.4 CC1C(=NC=N1)C AB09621 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.6 C1C(CO1)CC=O PB14037 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.6 C1CC(C1)CC=O AB49507 [0,0,0,1,0,0|1,0,0]=2 40 B7R1.6 C1CC(C1)CCN PB23748 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.6 C1CC(C1)N=C=O AB55242 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.6 COCC1CCN1 PB36845 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.6 COC[C@@H]1CCN1 PB36728 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.6 COC[C@H]1CCN1 PB28355 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.10 C1C(CC1=O)C#N PB12223 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.10 C1C(CC1=O)CBr PB27115 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.10 C1C(CC1=O)CCl PB28331 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.10 C1C(CC1=O)CN PB21511 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.10 C1C(CC1=O)CO PB17805 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.10 C=C1CC(C1)C#N PB19908 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.10 CNC1CC(C1)O PB36492 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.10 CNC1CN(C1)C PB20386 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.10 CN[C@H]1C[C@@H](C1)O PB25695 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.10 CN[C@H]1C[C@H](C1)O PB35156 [0,0,0,1,0,0|1,0,2]=4 55 B7R1.10 COC1CC(C1)N PB11210 [0,0,0,1,0,0|1,1,1]=4 56 B7R1.10 CO[C@H]1C[C@@H](C1)N PB15524 [0,0,0,1,0,0|1,1,1]=4 57 B7R1.10 CO[C@H]1C[C@@H](C1)N PB36079 [0,0,0,1,0,0|1,1,1]=4 58 B7R1.10 CO[C@H]1C[C@H](C1)N PB16800 [0,0,0,1,0,0|1,1,1]=4 59 B7R1.10 CO[C@H]1C[C@H](C1)N PB37429 [0,0,0,1,0,0|1,1,1]=4 60 B7R1.25 CC1(CNC1)OC PB25362 [0,0,0,1,0,0|2,1,0]=4 61 B4R0.1 CC(=O)C=O AB00820 [2,0,0,0,0,0|0,1,1]=4 62 B4R0.2 C=CCCBr AB00123 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 C=CCCN AB14698 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|1,1,0]=4 65 B6R0.2 B(CC(C)C)(O)O AB03722 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.2 CC(C)CC(=N)N AB60903 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.2 CC(C)CC(=S)N AB52630 [1,1,0,0,0,0|0,1,0]=3 68 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.3 CC(C)C(C#N)O AB07208 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.5 C(C=O)C(F)(F)F AB04146 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.5 CC(C)(C)CCI AB29727 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.5 CC(C)(C)N=C=O AB00190 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.6 COCCN=C=O AB50988 [1,1,0,0,0,0|0,1,1]=4 74 B6R0.8 CC(C)(CO)OC CB11973 [1,1,0,0,0,0|0,1,1]=4 75 B6R0.8 CC[C@@](C)(CO)O AB26212 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.8 CC[C@](C)(CO)O AB26211 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.9 COC(CN)OC AB00930 [1,1,0,0,0,0|1,1,0]=4 78 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,2,0,0,0,0|2,0,0]=4 81 B6R1.2 C1C=CCC1N CB10532 [1,0,0,1,0,0|2,0,0]=4 82 B6R1.2 CC1CCNC1 AB41901 [1,0,0,1,0,0|1,0,1]=4 83 B6R1.2 C[C@@H]1CCNC1 AB29518 [1,0,0,1,0,0|1,0,1]=4 84 B6R1.2 C[C@H]1CCNC1 AB29522 [1,0,0,1,0,0|1,0,1]=4 85 B6R1.3 C1CC1CC#N PB18433 [1,0,0,1,0,0|1,0,1]=4 86 B6R1.3 C1CC1CC=O AB51242 [1,0,0,1,0,0|0,0,0]=2 87 B6R1.3 C1CC1CCN AB23437 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.3 C1CC1CCN PB11093 [1,0,0,1,0,0|1,0,1]=4 89 B6R1.3 C1CC1CCO PB24555 [1,0,0,1,0,0|0,0,2]=4 90 B6R1.3 C1CC1CNN PB30981 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.3 C1CC1CON AB21122 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.3 C1CC1N=C=O AB10805 [1,0,0,1,0,0|1,0,1]=4 93 B6R1.3 C1CC1\C=C\Br AB76480 [1,0,0,1,0,0|1,0,1]=4 94 B6R1.5 C1C(CC1=O)Br PB30412 [1,0,0,1,0,0|1,0,0]=3 95 B6R1.5 C1C(CC1=O)F PB36975 [1,0,0,1,0,0|1,0,0]=3 96 B6R1.5 C1C(CC1=O)N PB20766 [1,0,0,1,0,0|1,0,0]=3 97 B6R1.10 CC1(CNC1)C PB36182 [1,0,0,1,0,0|2,0,0]=4 98 B6R1.10 CC1(COC1)C MB00151 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.6 C1C(CO1)C=O AB76630 [1,0,0,1,0,0|0,1,0]=3 101 B6R1.6 C1C(CS1)CN PB19286 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.1 C1C(CNC1=O)CN PB10686 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.1 C1C(CNC1=O)CO PB26709 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.1 C1CC(=O)NC1CN AB28123 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.4 C1C(=O)CSCC1=O PB15832 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.4 C1CNC(=O)CC1N PB11631 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,1,0,0|1,0,0]=3 118 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|0,1,0]=3 119 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|0,1,0]=3 122 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|0,1,0]=3 124 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.18 CN1CC(CC1=O)N PB22380 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.34 C1C(CN1)CC(=O)O PB17729 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.34 C1C(CO1)CC(=O)O PB15407 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.51 C1CC(CC1=O)(F)F AB71425 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.2 CSC1CCNCC1 PB22682 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.3 C1CC(=O)NCC1N PB22229 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,1,0,1,0,0|0,1,0]=3 134 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.10 C1CC(C1)CN=C=O AB74239 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.23 C1C(CC1=O)C(=O)O PB20916 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.8 C1CC(OC1)CC=O AB76318 [0,1,0,1,0,0|0,1,0]=3 139 B8R1.8 C1COCC1CC=O AB75447 [0,1,0,1,0,0|0,1,0]=3