0 B5R0.3 COC(=O)CN AB01112 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C[C@@H](CO)NC AB31545 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 B(CC)(O)O AB08033 [1,0,0,0,0,0|3,0,0]=4 3 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 COC(=N)CCCl AB61008 [0,1,0,0,0,0|2,0,1]=4 5 B6R0.1 COCC(CO)N AB24949 [0,1,0,0,0,0|3,0,0]=4 6 B6R0.1 C\C(=C\OC)\C#N AB65880 [0,1,0,0,0,0|2,0,1]=4 7 B6R0.3 B(C(C)CC)(O)O AB25482 [0,1,0,0,0,0|3,0,0]=4 8 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.8 CC(C)(CO)OC CB11973 [0,1,0,0,0,0|2,0,0]=3 10 B6R0.8 CC[C@@](C)(CO)O AB26212 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.8 CC[C@](C)(CO)O AB26211 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.9 COC(CN)OC AB00930 [0,1,0,0,0,0|0,0,0]=1 13 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,1,0,0|1,0,1]=3 14 B6R1.2 CC1CCCN1 AB44503 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.2 CC1CCNC1 AB41901 [0,0,0,1,0,0|3,0,0]=4 16 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,1,0,0|2,0,0]=3 18 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,1,0,0|2,0,0]=3 20 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.4 CC1C(CN1)O PB39176 [0,0,0,1,0,0|3,0,0]=4 22 B6R1.6 C1CC(C1)CN PB27388 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.6 C1CNC1CN PB33610 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.6 C1CNC1CO PB21145 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.6 C1CN[C@H]1CO PB13255 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.6 C1COC1CBr PB10565 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.6 C1COC1CI PB32950 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.6 C1COC1CN PB12865 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.6 C1COC1CO PB20918 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.6 CNC1COC1 PB25068 [0,0,0,1,0,0|3,0,0]=4 31 B6R1.6 COC1CNC1 PB27751 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.8 CS[C@@H]1C[C@H]1N MB69372 [0,0,0,1,0,0|2,1,0]=4 33 B3R0.2 C[S+](C)C AB01061 [2,0,0,0,0,0|1,0,0]=3 34 B5R0.1 CC#CN(C)C AB76935 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.1 CC(C)N=C=O AB00193 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.4 CC(C)(C)[N+]#[C-] AB32563 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.5 B(C(C)C)(O)O AB08847 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.5 CC(C)C(=N)N AB07702 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.5 CC(C)C(=S)N AB32169 [1,1,0,0,0,0|2,0,0]=4 40 B5R0.2 COCCON MB08235 [1,1,0,0,0,0|1,0,0]=3 41 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.3 C[C@H](CO)OCOC AB53701 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.10 CCC(C(=O)OC)N AB16757 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.10 C\C(=C(\C)/OC)\C#N AB65883 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.11 CCO[C@@](C)(CO)O AB31299 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.15 CC(C(OC)OC)Br AB64104 [0,2,0,0,0,0|0,0,0]=2 47 B7R0.18 CC(CBr)(OC)OC AB00120 [0,2,0,0,0,0|0,0,0]=2 48 B7R0.18 CC(CN)(OC)OC AB61531 [0,2,0,0,0,0|0,0,0]=2 49 B5R1.2 C1C(CN1)O PB18565 [1,0,0,1,0,0|2,0,0]=4 50 B5R1.2 C1C(CO1)O PB25111 [1,0,0,1,0,0|2,0,0]=4 51 B5R1.2 CC1CNC1 PB16157 [1,0,0,1,0,0|2,0,0]=4 52 B5R1.3 CNC1CC1 PB16260 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.1 C#CC1CCOC1 PB28898 [0,1,0,1,0,0|1,0,1]=4 54 B7R1.1 C1CC(OC1)CI AB24846 [0,1,0,1,0,0|1,0,0]=3 55 B7R1.1 C1CC(OC1)CN AB00408 [0,1,0,1,0,0|1,0,0]=3 56 B7R1.1 C1CCC(C1)CBr AB50196 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.1 C1CCC(C1)CI AB15507 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.1 C1CCC(C1)CN AB17884 [0,1,0,1,0,0|2,0,0]=4 59 B7R1.1 C1COCC1C#N PB22187 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.1 C1COCC1CBr PB10518 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.1 C1COCC1CCl MB04735 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.1 C1COCC1CI PB23453 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.1 C1COCC1CN PB10526 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.1 C1COCC1CO PB30586 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.1 C1COC[C@@H]1C#N PB19741 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.1 C1COC[C@@H]1CN PB15453 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.1 C1COC[C@@H]1CO PB30186 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.1 C1COC[C@H]1C#N PB11493 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.1 C1COC[C@H]1CN PB18204 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.1 C1COC[C@H]1CO PB34870 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.1 CCC1CCCN1 AB12042 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.1 CCC1CCNC1 AB41905 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.1 CNC1CCOC1 PB17482 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,1,0,1,0,0|1,0,0]=3 80 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,1,0,1,0,0|1,0,0]=3 81 B7R1.1 COC1CCNC1 PB31357 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.1 CO[C@@H]1CCNC1 PB20659 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.1 CO[C@@H]1CCNC1 PB26535 [0,1,0,1,0,0|1,0,0]=3 84 B7R1.1 CO[C@H]1CCNC1 PB10788 [0,1,0,1,0,0|1,0,0]=3 85 B7R1.3 C1CC(COC1)Br MB04535 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.3 C1CC(COC1)N PB30901 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.3 C1CC(COC1)O PB32182 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.3 C1COC(CN1)O CB11808 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.3 CC1CCCNC1 AB00557 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.3 CC1CNCCO1 PB23610 [0,1,0,1,0,0|1,0,0]=3 93 B7R1.3 CC1COCCN1 AB49614 [0,1,0,1,0,0|1,0,0]=3 94 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,1,0,1,0,0|1,0,0]=3 97 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.3 C[C@H]1COCCN1 AB16412 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.6 C1CC(C1)CCN PB23748 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.6 CCOC1CNC1 AB30388 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.6 COCC1CCN1 PB36845 [0,1,0,1,0,0|1,0,0]=3 105 B7R1.6 COCC1CNC1 PB23654 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.6 COC[C@@H]1CCN1 PB36728 [0,1,0,1,0,0|1,0,0]=3 107 B7R1.6 COC[C@H]1CCN1 PB28355 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.8 CN1CCC1CN PB37073 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.8 CN1CC[C@@H]1CN PB35830 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.8 CN1CC[C@H]1CN PB38844 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.10 CNC1CC(C1)O PB36492 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.10 CNC1CN(C1)C PB20386 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.10 CN[C@H]1C[C@@H](C1)O PB25695 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.10 CN[C@H]1C[C@H](C1)O PB35156 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.10 COC1CC(C1)N PB11210 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.10 CO[C@H]1C[C@@H](C1)N PB15524 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.10 CO[C@H]1C[C@@H](C1)N PB36079 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.10 CO[C@H]1C[C@H](C1)N PB16800 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.10 CO[C@H]1C[C@H](C1)N PB37429 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.25 CC1(CNC1)OC PB25362 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.25 CC1(COC1)C#C PB27224 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.25 CC1(COC1)C=O PB34454 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.25 CC1(COC1)CBr PB21817 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.25 CC1(COC1)CCl PB27545 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.25 CC1(COC1)CI PB34619 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.25 CC1(COC1)CN PB32664 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.25 CC1(COC1)CO PB20862 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.25 CC1(COC1)CS PB21164 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.25 CCC1(COC1)N PB16859 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.25 CCC1(COC1)N PB38017 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.18 C1COC1C(=O)O PB26385 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.18 CC(C1CCC1)O CB10183 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.14 CC1(CCCN1)C PB25045 [0,1,0,1,0,0|2,0,0]=4 134 B7R2.13 C1CNC2C1C2 PB29591 [0,0,0,2,0,0|2,0,0]=4