0 B7R1.2 C1CC(CC1N)O PB13684 [1,0,0,0,0,0|2,1,0]=4 1 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [1,0,0,0,0,0|2,1,0]=4 2 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [1,0,0,0,0,0|2,1,0]=4 3 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [1,0,0,0,0,0|2,1,0]=4 4 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.2 CN1CCC(C1)Br AB65769 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.2 CN1CCC(C1)N PB22385 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.2 CN1CCC(C1)O PB32059 [1,0,0,0,0,0|2,1,0]=4 8 B7R1.2 CN1CC[C@@H](C1)N PB14641 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.2 CN1CC[C@H](C1)N PB34450 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.2 CN1CC[C@H](C1)O PB17320 [1,0,0,0,0,0|2,1,0]=4 11 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,0,0,0|1,1,1]=4 12 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [1,0,0,0,0,0|2,1,0]=4 14 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [1,0,0,0,0,0|2,1,0]=4 15 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [1,0,0,0,0,0|2,1,0]=4 16 B7R0.2 CCC(CC(=O)O)N AB01525 [0,0,1,0,0,0|2,0,1]=4 17 B7R0.5 CC(C)C(CCO)N AB31007 [0,0,1,0,0,0|3,0,0]=4 18 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,0,1,0,0,0|2,0,1]=4 20 B9R2.33 CN1CC2CNC2C1 PB38028 [0,0,0,1,0,0|3,0,0]=4 21 B9R2.33 CN1C[C@@H]2CN[C@@H]2C1 PB37707 [0,0,0,1,0,0|3,0,0]=4 22 B9R2.33 CN1C[C@H]2CN[C@H]2C1 PB35847 [0,0,0,1,0,0|3,0,0]=4 23 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O PB36484 [0,0,0,1,0,0|1,1,0]=3 24 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O PB35089 [0,0,0,1,0,0|1,1,0]=3 25 B9R1.34 CC1CC(CC(N1)C)O MB01439 [0,0,0,0,0,1|1,1,0]=3 26 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,0,0,0,0,1|1,1,1]=4 27 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,0,0,0,0,1|1,1,1]=4 28 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,0,0,0,0,1|1,1,1]=4 29 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,0,0,0,0,1|1,1,1]=4 30 B6R0.1 COCC(CO)N AB24949 [1,0,1,0,0,0|2,0,0]=4 31 B6R1.2 C1CNCC1F AB27153 [2,0,0,0,0,0|2,0,0]=4 32 B6R1.2 C1CNCC1F PB27633 [2,0,0,0,0,0|2,0,0]=4 33 B6R1.2 C1CNCC1O PB24775 [2,0,0,0,0,0|1,1,0]=4 34 B6R1.2 C1CNC[C@@H]1F AB27158 [2,0,0,0,0,0|2,0,0]=4 35 B6R1.2 C1CNC[C@@H]1F PB23386 [2,0,0,0,0,0|2,0,0]=4 36 B6R1.2 C1CNC[C@@H]1N AB02820 [2,0,0,0,0,0|2,0,0]=4 37 B6R1.2 C1CNC[C@@H]1O PB17129 [2,0,0,0,0,0|1,1,0]=4 38 B6R1.2 C1CNC[C@@H]1O PB18456 [2,0,0,0,0,0|1,1,0]=4 39 B6R1.2 C1CNC[C@H]1F AB27154 [2,0,0,0,0,0|2,0,0]=4 40 B6R1.2 C1CNC[C@H]1F PB20102 [2,0,0,0,0,0|2,0,0]=4 41 B6R1.2 C1CNC[C@H]1N AB02823 [2,0,0,0,0,0|2,0,0]=4 42 B6R1.2 C1CNC[C@H]1O PB30638 [2,0,0,0,0,0|1,1,0]=4 43 B6R1.2 C1CNC[C@H]1O PB32171 [2,0,0,0,0,0|1,1,0]=4 44 B6R1.2 C1COCC1=O PB17440 [2,0,0,0,0,0|0,1,1]=4 45 B6R1.2 C1COCC1Br PB20333 [2,0,0,0,0,0|1,0,0]=3 46 B6R1.2 C1COCC1I PB14773 [2,0,0,0,0,0|1,0,0]=3 47 B6R1.2 C1COCC1N PB27801 [2,0,0,0,0,0|1,0,0]=3 48 B6R1.2 C1COCC1O PB24525 [2,0,0,0,0,0|0,1,0]=3 49 B6R1.2 C1COC[C@@H]1I PB34863 [2,0,0,0,0,0|1,0,0]=3 50 B6R1.2 C1COC[C@@H]1N PB10514 [2,0,0,0,0,0|1,0,0]=3 51 B6R1.2 C1COC[C@@H]1O PB17096 [2,0,0,0,0,0|0,1,0]=3 52 B6R1.2 C1COC[C@H]1I PB22839 [2,0,0,0,0,0|1,0,0]=3 53 B6R1.2 C1COC[C@H]1N PB18852 [2,0,0,0,0,0|1,0,0]=3 54 B6R1.2 C1COC[C@H]1O PB25950 [2,0,0,0,0,0|0,1,0]=3 55 B6R1.2 CC1=CCCO1 AB00300 [2,0,0,0,0,0|0,0,2]=4 56 B6R1.2 CC1CCCN1 AB44503 [2,0,0,0,0,0|1,0,0]=3 57 B6R1.2 CC1CCNC1 AB41901 [2,0,0,0,0,0|2,0,0]=4 58 B6R1.2 C[C@@H]1CCCN1 AB29488 [2,0,0,0,0,0|1,0,0]=3 59 B6R1.2 C[C@@H]1CCCN1 AB42774 [2,0,0,0,0,0|1,0,0]=3 60 B6R1.2 C[C@@H]1CCNC1 AB29518 [2,0,0,0,0,0|2,0,0]=4 61 B6R1.2 C[C@H]1CCCN1 AB29489 [2,0,0,0,0,0|1,0,0]=3 62 B6R1.2 C[C@H]1CCNC1 AB29522 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.22 CCOC(CBr)OCC PB25876 [0,1,1,0,0,0|2,0,0]=4 64 B8R1.1 CN1CCC(C1)CN PB23433 [1,1,0,0,0,0|2,0,0]=4 65 B8R1.1 CN1CC[C@@H](C1)CN PB35492 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.1 CN1CC[C@H](C1)CN PB36038 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.1 CN1CC[C@H](C1)CO PB31861 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.51 CC1(CCC(C1)N)O PB38754 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.560 CC1(CC(=O)C(O1)(C)C)C AB00975 [0,2,0,0,0,0|0,1,1]=4 72 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,0,1,1,0,0|0,1,1]=4 73 B8R1.4 CC1CC(CCN1)O PB10241 [0,0,1,1,0,0|1,1,0]=4 74 B8R1.4 CC1CC(CCO1)O PB22789 [0,0,1,1,0,0|0,1,0]=3 75 B8R1.4 CC1COCC(N1)C AB02607 [0,0,1,1,0,0|1,1,0]=4 76 B8R1.4 CN1CCCC(C1)O PB17042 [0,0,1,1,0,0|2,0,0]=4 77 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,0,1,1,0,0|2,0,0]=4 78 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,0,1,1,0,0|2,0,0]=4 79 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,0,1,1,0,0|0,1,1]=4 80 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,0,1,1,0,0|2,0,0]=4 81 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,0,1,1,0,0|2,0,0]=4 82 B8R1.4 C[C@@H]1CNC[C@@H](N1)C PB23510 [0,0,1,1,0,0|2,0,0]=4 83 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,0,1,1,0,0|1,0,0]=3 84 B8R1.4 C[C@@H]1CNC[C@H](N1)C AB48105 [0,0,1,1,0,0|2,0,0]=4 85 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,0,1,1,0,0|1,0,0]=3 86 B8R1.4 C[C@@H]1COC[C@@H](N1)C PB22631 [0,0,1,1,0,0|1,1,0]=4 87 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,0,1,1,0,0|1,1,0]=4 88 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,0,1,1,0,0|0,1,1]=4 89 B8R1.4 C[C@H]1CNC[C@@H](N1)C AB48104 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,0,1,1,0,0|1,0,0]=3 91 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,0,1,1,0,0|1,0,0]=3 92 B8R1.4 C[C@H]1COC[C@@H](N1)C MB13620 [0,0,1,1,0,0|1,1,0]=4 93 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,0,1,1,0,0|1,1,0]=4 94 B8R1.34 CC(C)NC1COC1 PB22179 [0,0,1,1,0,0|1,1,0]=4 95 B8R1.34 CC(C)OC1CNC1 AB30393 [0,0,1,1,0,0|1,0,0]=3 96 B8R1.53 CC1(CC(C1)CN)O PB37939 [0,0,1,1,0,0|2,0,0]=4 97 B8R1.53 CC1(CC(O1)CBr)C PB14049 [0,0,1,1,0,0|1,0,0]=3 98 B8R1.53 CC1(CC(O1)CI)C PB24482 [0,0,1,1,0,0|1,0,0]=3 99 B8R1.53 CC1(CC(O1)CN)C PB39159 [0,0,1,1,0,0|1,0,0]=3 100 B8R1.53 CC1(CC(O1)CO)C PB16962 [0,0,1,1,0,0|0,1,0]=3 101 B8R1.53 C[C@]1(C[C@@H](C1)CN)O PB39234 [0,0,1,1,0,0|2,0,0]=4 102 B8R1.53 C[C@]1(C[C@H](C1)CN)O PB37961 [0,0,1,1,0,0|2,0,0]=4 103 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,0,1,1,0,0|1,0,0]=3 104 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,0,1,1,0,0|1,0,0]=3 105 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [0,0,1,1,0,0|2,0,0]=4 106 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,0,1,1,0,0|1,0,0]=3 107 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,0,1,1,0,0|1,0,0]=3 108 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [0,0,1,1,0,0|2,0,0]=4 109 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,0,1,1,0,0|2,0,0]=4 112 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,0,1,1,0,0|2,0,0]=4 113 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,0,1,1,0,0|2,0,0]=4 114 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,0,1,1,0,0|2,0,0]=4 115 B8R1.5 CC1C(NCCN1)C AB36996 [0,0,1,1,0,0|2,0,0]=4 116 B8R1.5 CC1C(OCCN1)C AB72725 [0,0,1,1,0,0|1,0,0]=3 117 B8R1.5 CC1CCNCC1O PB36981 [0,0,1,1,0,0|2,0,0]=4 118 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,0,1,1,0,0|2,0,0]=4 119 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,0,1,1,0,0|2,0,0]=4 120 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,0,1,1,0,0|2,0,0]=4 121 B8R1.5 C[C@@H]1[C@H](NCCN1)C AB36998 [0,0,1,1,0,0|2,0,0]=4 122 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,0,1,1,0,0|2,0,0]=4 123 B8R1.5 C[C@H]1[C@@H](NCCN1)C AB36997 [0,0,1,1,0,0|2,0,0]=4 124 B8R1.7 CC(C)[C@@H]1CCCN1 AB58448 [0,0,1,1,0,0|2,0,0]=4 125 B8R1.6 CCOC1CC(C1)N PB35675 [0,0,1,1,0,0|1,0,0]=3 126 B8R1.6 CCO[C@H]1C[C@@H](C1)N PB36228 [0,0,1,1,0,0|1,0,0]=3 127 B8R1.6 CCO[C@H]1C[C@H](C1)N PB37547 [0,0,1,1,0,0|1,0,0]=3 128 B8R1.8 C1CC(NC1)CCO CB10162 [0,0,1,1,0,0|1,1,0]=4 129 B8R1.8 C1CC(NC1)CCO PB35354 [0,0,1,1,0,0|1,1,0]=4 130 B8R1.8 C1CC(OC1)CC#N MB02666 [0,0,1,1,0,0|1,0,1]=4 131 B8R1.8 C1CC(OC1)CC=O AB76318 [0,0,1,1,0,0|0,1,1]=4 132 B8R1.8 C1CC(OC1)CCI AB76593 [0,0,1,1,0,0|1,0,0]=3 133 B8R1.8 C1CC(OC1)CCN AB30605 [0,0,1,1,0,0|1,0,0]=3 134 B8R1.8 C1CCC(C1)CCN AB02350 [0,0,1,1,0,0|2,0,0]=4 135 B8R1.8 CCCC1CCCN1 AB12028 [0,0,1,1,0,0|2,0,0]=4 136 B8R1.8 CCO[C@@H]1CCNC1 PB10951 [0,0,1,1,0,0|1,0,0]=3 137 B8R1.8 CCO[C@H]1CCNC1 PB29117 [0,0,1,1,0,0|1,0,0]=3 138 B8R1.22 CC1CCNCCN1 PB17623 [0,0,1,1,0,0|2,0,0]=4 139 B8R2.18 C1C2C1CC(C2)N PB21479 [1,0,0,1,0,0|2,0,0]=4 140 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [1,0,0,1,0,0|2,0,0]=4 141 B8R2.34 C1[C@@H]2CN[C@H]1CN2 AB62663 [1,0,0,1,0,0|2,0,0]=4 142 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [1,0,0,1,0,0|1,0,0]=3 143 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [1,0,0,1,0,0|1,0,0]=3 144 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [1,0,0,1,0,0|1,0,0]=3 145 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [1,0,0,1,0,0|1,0,0]=3 146 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [1,0,0,1,0,0|1,0,0]=3 147 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [1,0,0,1,0,0|1,0,0]=3 148 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [1,0,0,1,0,0|1,0,0]=3 149 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [0,0,0,1,0,1|0,1,1]=4 150 B10R2.71 C1C[C@H]2C[C@@H](C[C@@H]1N2)F PB12879 [0,0,0,1,0,1|2,0,0]=4 151 B10R2.71 C1C[C@H]2C[C@@H](C[C@@H]1N2)O PB17241 [0,0,0,1,0,1|1,1,0]=4 152 B10R2.71 C1C[C@H]2C[C@@H](C[C@@H]1N2)O PB24470 [0,0,0,1,0,1|1,1,0]=4 153 B10R2.71 C1C[C@H]2C[C@H](C[C@@H]1N2)O PB32100 [0,0,0,1,0,1|1,1,0]=4 154 B10R2.62 C1CC2C(CC1CN2)O PB37269 [0,0,0,1,0,1|1,1,0]=4 155 B10R2.178 C1CC2C(CCC1N2)O PB38793 [0,0,0,1,0,1|1,1,0]=4 156 B10R2.61 C1CC2CC(C(C1)N2)O PB38343 [0,1,0,1,0,0|1,1,0]=4 157 B10R2.61 C1C[C@@H]2C[C@@H]([C@H](C1)N2)O PB39013 [0,1,0,1,0,0|1,1,0]=4 158 B10R2.61 C1C[C@@H]2C[C@H]([C@H](C1)N2)O PB39032 [0,1,0,1,0,0|1,1,0]=4 159 B6R1.4 CC1C(CN1)O PB39176 [1,0,0,0,1,0|1,1,0]=4 160 B6R1.5 C1C(CC1F)N PB22829 [1,0,0,0,1,0|2,0,0]=4 161 B6R1.5 C1C(CC1F)N PB31217 [1,0,0,0,1,0|2,0,0]=4 162 B6R1.5 C1C(CC1N)N PB10638 [1,0,0,0,1,0|2,0,0]=4 163 B6R1.5 C1C(CC1O)N PB17577 [1,0,0,0,1,0|1,1,0]=4 164 B6R1.5 C1[C@@H](C[C@@H]1N)F PB35807 [1,0,0,0,1,0|2,0,0]=4 165 B6R1.5 C1[C@@H](C[C@@H]1N)N PB39058 [1,0,0,0,1,0|2,0,0]=4 166 B6R1.5 C1[C@@H](C[C@@H]1N)O PB10634 [1,0,0,0,1,0|1,1,0]=4 167 B6R1.5 C1[C@@H](C[C@@H]1N)O PB11282 [1,0,0,0,1,0|1,1,0]=4 168 B6R1.5 C1[C@@H](C[C@@H]1O)F PB37280 [1,0,0,0,1,0|1,1,0]=4 169 B6R1.5 C1[C@@H](C[C@H]1N)F PB37634 [1,0,0,0,1,0|2,0,0]=4 170 B6R1.5 C1[C@@H](C[C@H]1N)N PB38862 [1,0,0,0,1,0|2,0,0]=4 171 B6R1.5 C1[C@@H](C[C@H]1N)O PB14636 [1,0,0,0,1,0|1,1,0]=4 172 B6R1.5 C1[C@@H](C[C@H]1N)O PB19576 [1,0,0,0,1,0|1,1,0]=4 173 B6R1.5 C1[C@@H](C[C@H]1O)F PB27240 [1,0,0,0,1,0|1,1,0]=4 174 B6R1.5 CN1CC(C1)N PB23920 [1,0,0,0,1,0|2,0,0]=4 175 B6R1.5 CN1CC(C1)O PB30133 [1,0,0,0,1,0|1,1,0]=4 176 B8R1.3 C1C(OCC(O1)O)O PB11588 [1,0,0,0,0,1|1,1,0]=4 177 B8R1.3 CC1CNC(=O)CO1 AB71787 [1,0,0,0,0,1|0,1,1]=4 178 B8R1.3 CC1CNC(CO1)C AB55657 [1,0,0,0,0,1|1,0,0]=3 179 B8R1.3 C[C@@H]1CN[C@@H](CN1)C AB48053 [1,0,0,0,0,1|2,0,0]=4 180 B8R1.3 C[C@@H]1CN[C@H](CN1)C AB02818 [1,0,0,0,0,1|2,0,0]=4