0 B4R0.2 C#CCCN AB55798 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C(CN)CCl AB06220 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.2 C=CCCBr AB00123 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C=CCCN AB14698 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C=CCCO AB00288 [0,0,0,0,0,0|3,0,1]=4 5 B3R0.1 C(CCl)N AB03778 [1,0,0,0,0,0|3,0,0]=4 6 B3R0.1 C\C=C/I AB73504 [1,0,0,0,0,0|2,0,1]=4 7 B3R0.1 C\C=C\Br AB00109 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 B(CCC)(O)O AB08045 [0,1,0,0,0,0|3,0,0]=4 9 B5R0.1 CC#CN(C)C AB76935 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.2 C(CC#N)CN AB52761 [0,1,0,0,0,0|3,0,0]=4 11 B5R0.2 COCCON MB08235 [0,1,0,0,0,0|1,2,0]=4 12 B5R0.3 CSC(=N)NN AB01522 [0,1,0,0,0,0|2,0,1]=4 13 B5R0.3 CS\C(=N/N)\N AB06574 [0,1,0,0,0,0|2,0,1]=4 14 B5R0.3 C[C@@H](CO)NC AB31545 [0,1,0,0,0,0|3,0,0]=4 15 B5R1.2 C1C(=O)CN1 PB32275 [0,0,0,1,0,0|3,0,0]=4 16 B5R1.2 C1C(=O)CO1 PB20352 [0,0,0,1,0,0|2,1,0]=4 17 B5R1.2 C1C(=O)CS1 PB29880 [0,0,0,1,0,0|2,0,0]=3 18 B5R1.2 C1C(CN1)N PB22346 [0,0,0,1,0,0|3,0,0]=4 19 B5R1.2 C1C(CN1)O PB18565 [0,0,0,1,0,0|3,0,0]=4 20 B5R1.2 C1C(CN1)S PB18372 [0,0,0,1,0,0|3,0,0]=4 21 B5R1.2 C1C(CO1)Br PB32639 [0,0,0,1,0,0|2,1,0]=4 22 B5R1.2 C1C(CO1)Cl PB33445 [0,0,0,1,0,0|2,1,0]=4 23 B5R1.2 C1C(CO1)F AB71732 [0,0,0,1,0,0|2,1,0]=4 24 B5R1.2 C1C(CO1)I PB20276 [0,0,0,1,0,0|2,1,0]=4 25 B5R1.2 C1C(CO1)N MB07029 [0,0,0,1,0,0|2,1,0]=4 26 B5R1.2 C1C(CO1)N PB31297 [0,0,0,1,0,0|2,1,0]=4 27 B5R1.2 C1C(CO1)O PB25111 [0,0,0,1,0,0|2,1,0]=4 28 B5R1.2 C1C(CO1)S PB31940 [0,0,0,1,0,0|2,1,0]=4 29 B5R1.2 C1C(CS1)N PB11400 [0,0,0,1,0,0|2,0,0]=3 30 B5R1.2 CC1CNC1 PB16157 [0,0,0,1,0,0|2,0,0]=3 31 B5R1.3 CNC1CC1 PB16260 [0,0,0,1,0,0|2,0,0]=3 32 B4R0.1 B(CC)(O)O AB08033 [1,1,0,0,0,0|2,0,0]=4 33 B4R0.1 CCC(=N)N AB07703 [1,1,0,0,0,0|2,0,0]=4 34 B4R0.1 C\C=C(/C)\Br AB00105 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.1 COCC(CO)N AB24949 [0,2,0,0,0,0|1,1,0]=4 36 B6R0.4 CN(C)CCCBr AB52731 [0,2,0,0,0,0|2,0,0]=4 37 B6R0.6 CCCNCCC AB02251 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.6 COCCCON MB19791 [0,2,0,0,0,0|1,1,0]=4 39 B6R0.9 COC(CN)OC AB00930 [0,2,0,0,0,0|0,2,0]=4 40 B4R1.1 C1CNC1 PB33850 [1,0,0,1,0,0|1,0,0]=3 41 B6R1.2 C1CNCC1=O PB21807 [0,1,0,1,0,0|2,0,0]=4 42 B6R1.2 C1CNCC1F AB27153 [0,1,0,1,0,0|2,0,0]=4 43 B6R1.2 C1CNCC1F PB27633 [0,1,0,1,0,0|2,0,0]=4 44 B6R1.2 C1CNCC1O PB24775 [0,1,0,1,0,0|2,0,0]=4 45 B6R1.2 C1CNC[C@@H]1F AB27158 [0,1,0,1,0,0|2,0,0]=4 46 B6R1.2 C1CNC[C@@H]1F PB23386 [0,1,0,1,0,0|2,0,0]=4 47 B6R1.2 C1CNC[C@@H]1N AB02820 [0,1,0,1,0,0|2,0,0]=4 48 B6R1.2 C1CNC[C@@H]1O PB17129 [0,1,0,1,0,0|2,0,0]=4 49 B6R1.2 C1CNC[C@@H]1O PB18456 [0,1,0,1,0,0|2,0,0]=4 50 B6R1.2 C1CNC[C@H]1F AB27154 [0,1,0,1,0,0|2,0,0]=4 51 B6R1.2 C1CNC[C@H]1F PB20102 [0,1,0,1,0,0|2,0,0]=4 52 B6R1.2 C1CNC[C@H]1N AB02823 [0,1,0,1,0,0|2,0,0]=4 53 B6R1.2 C1CNC[C@H]1O PB30638 [0,1,0,1,0,0|2,0,0]=4 54 B6R1.2 C1CNC[C@H]1O PB32171 [0,1,0,1,0,0|2,0,0]=4 55 B6R1.2 C1COCC1=O PB17440 [0,1,0,1,0,0|1,1,0]=4 56 B6R1.2 C1COCC1Br PB20333 [0,1,0,1,0,0|1,1,0]=4 57 B6R1.2 C1COCC1I PB14773 [0,1,0,1,0,0|1,1,0]=4 58 B6R1.2 C1COCC1N PB27801 [0,1,0,1,0,0|1,1,0]=4 59 B6R1.2 C1COCC1O PB24525 [0,1,0,1,0,0|1,1,0]=4 60 B6R1.2 C1COC[C@@H]1I PB34863 [0,1,0,1,0,0|1,1,0]=4 61 B6R1.2 C1COC[C@@H]1N PB10514 [0,1,0,1,0,0|1,1,0]=4 62 B6R1.2 C1COC[C@@H]1O PB17096 [0,1,0,1,0,0|1,1,0]=4 63 B6R1.2 C1COC[C@H]1I PB22839 [0,1,0,1,0,0|1,1,0]=4 64 B6R1.2 C1COC[C@H]1N PB18852 [0,1,0,1,0,0|1,1,0]=4 65 B6R1.2 C1COC[C@H]1O PB25950 [0,1,0,1,0,0|1,1,0]=4 66 B6R1.2 CC1CCCN1 AB44503 [0,1,0,1,0,0|2,0,0]=4 67 B6R1.2 CC1CCNC1 AB41901 [0,1,0,1,0,0|2,0,0]=4 68 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,1,0,1,0,0|2,0,0]=4 69 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,1,0,1,0,0|2,0,0]=4 70 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,1,0,1,0,0|2,0,0]=4 71 B6R1.2 C[C@H]1CCCN1 AB29489 [0,1,0,1,0,0|2,0,0]=4 72 B6R1.2 C[C@H]1CCNC1 AB29522 [0,1,0,1,0,0|2,0,0]=4 73 B6R1.3 C1CC1CCN AB23437 [0,1,0,1,0,0|2,0,0]=4 74 B6R1.3 C1CC1CCN PB11093 [0,1,0,1,0,0|2,0,0]=4 75 B6R1.3 C1CC1CCO PB24555 [0,1,0,1,0,0|2,0,0]=4 76 B6R1.5 CN1CC(C1)N PB23920 [0,1,0,1,0,0|2,0,0]=4 77 B6R1.5 CN1CC(C1)O PB30133 [0,1,0,1,0,0|2,0,0]=4 78 B6R1.8 CS[C@@H]1C[C@H]1N MB69372 [0,1,0,1,0,0|1,0,0]=3 79 B6R1.10 CC1(CNC1)C PB36182 [0,1,0,1,0,0|2,0,0]=4 80 B6R1.10 CC1(CNC1)F PB35243 [0,1,0,1,0,0|2,0,0]=4 81 B6R1.10 CC1(CNC1)N PB18986 [0,1,0,1,0,0|2,0,0]=4 82 B6R1.10 CC1(CNC1)O PB26628 [0,1,0,1,0,0|2,0,0]=4 83 B6R1.10 CC1(COC1)C MB00151 [0,1,0,1,0,0|1,1,0]=4 84 B6R1.10 CC1(COC1)N PB14901 [0,1,0,1,0,0|1,1,0]=4 85 B6R1.10 CC1(COC1)O PB13891 [0,1,0,1,0,0|1,1,0]=4 86 B6R1.1 C1CNCC=C1 PB15670 [0,1,0,1,0,0|2,0,0]=4 87 B6R1.6 C1C(CN1)CO PB34326 [0,1,0,1,0,0|2,0,0]=4 88 B6R1.6 C1C(CO1)CCl MB06442 [0,1,0,1,0,0|1,1,0]=4 89 B6R1.6 C1C(CO1)CI PB11384 [0,1,0,1,0,0|1,1,0]=4 90 B6R1.6 C1C(CO1)CN PB26850 [0,1,0,1,0,0|1,1,0]=4 91 B6R1.6 C1C(CO1)CO PB28641 [0,1,0,1,0,0|1,1,0]=4 92 B6R1.6 C1C(CS1)CN PB19286 [0,1,0,1,0,0|1,0,0]=3 93 B6R1.6 C1CC(C1)CN PB27388 [0,1,0,1,0,0|2,0,0]=4 94 B6R1.6 CNC1COC1 PB25068 [0,1,0,1,0,0|1,1,0]=4 95 B6R1.6 COC1CNC1 PB27751 [0,1,0,1,0,0|1,1,0]=4