0 B6R0.6 CCCNCCC AB02251 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C(\C=C\Cl)ON AB44940 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.3 COC(=O)CCCO AB65249 [0,1,0,0,0,0|1,0,1]=3 3 B7R0.3 C[C@H](CO)OCOC AB53701 [0,1,0,0,0,0|2,0,1]=4 4 B7R0.4 B(CCCCC)(O)O AB08098 [0,1,0,0,0,0|1,0,2]=4 5 B7R0.4 B(C\C=C\CN)(O)O AB62237 [0,1,0,0,0,0|2,0,0]=3 6 B7R0.4 B(\C=C\CCC)(O)O AB08112 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,1,0,0,0,0|3,0,0]=4 8 B7R1.1 C1=NC=NC1CO PB24669 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.1 C1=NN=CC1CO PB34185 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.1 C1C=C(N=N1)CCl AB44943 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.1 C1C=C(N=N1)CN AB59768 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.1 C1C=C(N=N1)CN CB11648 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.1 C1C=C(N=N1)CN PB34098 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.1 C1C=C(N=N1)CO CB12075 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.1 C1C=C(N=N1)CO PB23601 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.1 C1C=CCC1CBr AB76476 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.1 C1C=CCC1CO PB12789 [0,0,0,1,0,0|0,0,2]=3 18 B7R1.1 C1C=NC(=N1)CO AB23143 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.1 C1CC(OC1)CI AB24846 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.1 C1CC(OC1)CN AB00408 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.1 C1CC=C(C1)CBr PB30182 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.1 C1CCC(C1)CBr AB50196 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.1 C1CCC(C1)CI AB15507 [0,0,0,1,0,0|1,0,2]=4 24 B7R1.1 C1CCC(C1)CN AB17884 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.1 C1CNCC1CO PB15896 [0,0,0,1,0,0|1,0,1]=3 26 B7R1.1 C1CNCC1CO PB31387 [0,0,0,1,0,0|1,0,1]=3 27 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,0,0,1,0,0|1,0,1]=3 28 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,0,0,1,0,0|1,0,1]=3 29 B7R1.1 C1CNC[C@H]1CO PB31350 [0,0,0,1,0,0|1,0,1]=3 30 B7R1.1 C1CNC[C@H]1CO PB32765 [0,0,0,1,0,0|1,0,1]=3 31 B7R1.1 C1COCC1CBr PB10518 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.1 C1COCC1CCl MB04735 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.1 C1COCC1CI PB23453 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.1 C1COCC1CN PB10526 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.1 C1COCC1CO PB30586 [0,0,0,1,0,0|1,0,1]=3 36 B7R1.1 C1COC[C@@H]1CN PB15453 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.1 C1COC[C@@H]1CO PB30186 [0,0,0,1,0,0|1,0,1]=3 38 B7R1.1 C1COC[C@H]1CN PB18204 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.1 C1COC[C@H]1CO PB34870 [0,0,0,1,0,0|1,0,1]=3 40 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,0,0,1,0,0|1,0,1]=3 41 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,0,0,1,0,0|1,0,1]=3 44 B7R1.1 CCC1=CN=CC1 AB31265 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.1 CCC1CCCN1 AB12042 [0,0,0,1,0,0|1,0,2]=4 46 B7R1.1 CCC1CCNC1 AB41905 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.1 c1c(ocn1)CCl AB42450 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.1 c1c(ocn1)CN AB30442 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.1 c1c(ocn1)CO PB32681 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.1 c1cc(oc1)CCl MB06568 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.1 c1cc(sc1)CO PB10001 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.1 c1cnoc1CN AB27950 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.1 c1cnoc1CN AB27954 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.1 c1cnoc1CO AB28102 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.1 c1conc1CO PB15902 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.1 c1cscc1CO PB10036 [0,0,0,1,0,0|1,0,2]=4 58 B7R1.3 C1CC(CNC1)F PB33693 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.3 C1CC(CNC1)O PB27381 [0,0,0,1,0,0|1,0,1]=3 60 B7R1.3 C1CC(CNC1)S PB34789 [0,0,0,1,0,0|1,1,1]=4 61 B7R1.3 C1CC(COC1)Br MB04535 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.3 C1CC(COC1)N PB30901 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.3 C1CC(COC1)O PB32182 [0,0,0,1,0,0|1,0,1]=3 64 B7R1.3 C1CCNC(C1)O MB03551 [0,0,0,1,0,0|1,0,2]=4 65 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,0,0,1,0,0|1,0,2]=4 66 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.3 C1CNCCC1Cl AB14164 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.3 C1CNCCC1F AB13264 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.3 C1CNCCC1F PB24811 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.3 C1CNCCC1N AB11093 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.3 C1CNCCC1S PB26690 [0,0,0,1,0,0|1,1,1]=4 72 B7R1.3 C1COC(CN1)O CB11808 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.3 C1COCCC1Br PB24975 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.3 C1COCCC1Cl AB02848 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.3 C1COCCC1I PB13042 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.3 C1COCCC1N AB11128 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.3 C1COCCC1N PB27421 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.3 C1COCCC1O PB11583 [0,0,0,1,0,0|1,0,1]=3 79 B7R1.3 C1CSCCC1N AB32569 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,0,0,1,0,0|1,0,1]=3 83 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,0,0,1,0,0|1,0,1]=3 86 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,0,0,1,0,0|1,0,1]=3 87 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.3 CC1CNCCO1 PB23610 [0,0,0,1,0,0|1,0,1]=3 89 B7R1.3 CC1COCCN1 AB49614 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,0,0,1,0,0|1,0,1]=3 92 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,0,0,1,0,0|1,0,1]=3 97 B7R1.3 C[C@H]1COCCN1 AB16412 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,0,0,1,0,0|1,0,2]=4 99 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,0,0,1,0,0|1,0,2]=4 100 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.6 C1C(CO1)CCO PB15326 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.6 C1CC(C1)CCN PB23748 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.6 C1CN(C1)CCCl PB37452 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.6 COC=C1COC1 AB76192 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.7 C1CC1OCCCl AB18070 [0,0,0,1,0,0|2,0,1]=4 111 B4R0.2 C(=C\O)/C#N AB85343 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.2 C(CN)CCl AB06220 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.2 C=CCCBr AB00123 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.2 C=CCCN AB14698 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|0,0,0]=2 116 B6R0.1 CCOC(=N)CCl AB60917 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.1 CCOC(=N)CO AB60920 [1,1,0,0,0,0|1,0,0]=3 118 B6R0.1 COC(=N)CCCl AB61008 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.1 COCC(CO)N AB24949 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.4 CC(=O)\C=C\OC AB00959 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.7 B(CCCCCC)(O)O AB08083 [0,2,0,0,0,0|0,0,2]=4 122 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [0,2,0,0,0,0|1,0,0]=3 123 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,2,0,0,0,0|1,0,1]=4 124 B8R0.5 CCOC(=O)CC(F)F AB71794 [0,2,0,0,0,0|2,0,0]=4 125 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,1,0,0|1,0,0]=3 126 B6R1.2 C1C=CCC1N CB10532 [1,0,0,1,0,0|1,0,0]=3 127 B6R1.2 C1CNCC1F AB27153 [1,0,0,1,0,0|2,0,0]=4 128 B6R1.2 C1CNCC1F PB27633 [1,0,0,1,0,0|2,0,0]=4 129 B6R1.2 C1CNCC1O PB24775 [1,0,0,1,0,0|1,0,0]=3 130 B6R1.2 C1CNC[C@@H]1F AB27158 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.2 C1CNC[C@@H]1F PB23386 [1,0,0,1,0,0|2,0,0]=4 132 B6R1.2 C1CNC[C@@H]1N AB02820 [1,0,0,1,0,0|2,0,0]=4 133 B6R1.2 C1CNC[C@@H]1O PB17129 [1,0,0,1,0,0|1,0,0]=3 134 B6R1.2 C1CNC[C@@H]1O PB18456 [1,0,0,1,0,0|1,0,0]=3 135 B6R1.2 C1CNC[C@H]1F AB27154 [1,0,0,1,0,0|2,0,0]=4 136 B6R1.2 C1CNC[C@H]1F PB20102 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.2 C1CNC[C@H]1N AB02823 [1,0,0,1,0,0|2,0,0]=4 138 B6R1.2 C1CNC[C@H]1O PB30638 [1,0,0,1,0,0|1,0,0]=3 139 B6R1.2 C1CNC[C@H]1O PB32171 [1,0,0,1,0,0|1,0,0]=3 140 B6R1.2 C1COCC1Br PB20333 [1,0,0,1,0,0|2,0,0]=4 141 B6R1.2 C1COCC1I PB14773 [1,0,0,1,0,0|2,0,0]=4 142 B6R1.2 C1COCC1N PB27801 [1,0,0,1,0,0|2,0,0]=4 143 B6R1.2 C1COCC1O PB24525 [1,0,0,1,0,0|1,0,0]=3 144 B6R1.2 C1COC[C@@H]1I PB34863 [1,0,0,1,0,0|2,0,0]=4 145 B6R1.2 C1COC[C@@H]1N PB10514 [1,0,0,1,0,0|2,0,0]=4 146 B6R1.2 C1COC[C@@H]1O PB17096 [1,0,0,1,0,0|1,0,0]=3 147 B6R1.2 C1COC[C@H]1I PB22839 [1,0,0,1,0,0|2,0,0]=4 148 B6R1.2 C1COC[C@H]1N PB18852 [1,0,0,1,0,0|2,0,0]=4 149 B6R1.2 C1COC[C@H]1O PB25950 [1,0,0,1,0,0|1,0,0]=3 150 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,1,0,0|0,0,0]=2 151 B6R1.2 CC1CCCN1 AB44503 [1,0,0,1,0,0|1,0,1]=4 152 B6R1.2 CC1CCNC1 AB41901 [1,0,0,1,0,0|1,0,1]=4 153 B6R1.2 C[C@@H]1CCCN1 AB29488 [1,0,0,1,0,0|1,0,1]=4 154 B6R1.2 C[C@@H]1CCCN1 AB42774 [1,0,0,1,0,0|1,0,1]=4 155 B6R1.2 C[C@@H]1CCNC1 AB29518 [1,0,0,1,0,0|1,0,1]=4 156 B6R1.2 C[C@H]1CCCN1 AB29489 [1,0,0,1,0,0|1,0,1]=4 157 B6R1.2 C[C@H]1CCNC1 AB29522 [1,0,0,1,0,0|1,0,1]=4 158 B6R1.3 C1CC1CCN AB23437 [1,0,0,1,0,0|1,0,1]=4 159 B6R1.3 C1CC1CCN PB11093 [1,0,0,1,0,0|1,0,1]=4 160 B6R1.3 C1CC1CCO PB24555 [1,0,0,1,0,0|0,0,1]=3 161 B6R1.3 C1CC1\C=C\Br AB76480 [1,0,0,1,0,0|2,0,0]=4 162 B6R1.4 CC1C(CN1)O PB39176 [1,0,0,1,0,0|1,0,0]=3 163 B6R1.6 C1C(CN1)CO PB34326 [1,0,0,1,0,0|1,0,1]=4 164 B6R1.6 C1C(CO1)CO PB28641 [1,0,0,1,0,0|1,0,1]=4 165 B6R1.6 C1CC(C1)CN PB27388 [1,0,0,1,0,0|1,0,1]=4 166 B6R1.6 C1CNC1CN PB33610 [1,0,0,1,0,0|2,0,0]=4 167 B6R1.6 C1CNC1CO PB21145 [1,0,0,1,0,0|1,0,0]=3 168 B6R1.6 C1CN[C@H]1CO PB13255 [1,0,0,1,0,0|1,0,0]=3 169 B6R1.6 C1COC1CBr PB10565 [1,0,0,1,0,0|1,0,1]=4 170 B6R1.6 C1COC1CI PB32950 [1,0,0,1,0,0|1,0,1]=4 171 B6R1.6 C1COC1CN PB12865 [1,0,0,1,0,0|1,0,1]=4 172 B6R1.6 C1COC1CO PB20918 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.2 C1CC(CNC1)CO PB21599 [0,1,0,1,0,0|0,0,2]=4 174 B8R1.2 C1CC(COC1)CO PB12514 [0,1,0,1,0,0|0,0,2]=4 175 B8R1.2 C1CC(OC=C1)C=O PB24581 [0,1,0,1,0,0|0,0,2]=4 176 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.2 C1CCOC(C1)CBr MB00206 [0,1,0,1,0,0|0,0,2]=4 178 B8R1.2 C1CCOC(C1)CN AB28292 [0,1,0,1,0,0|0,0,2]=4 179 B8R1.2 C1CCOC(C1)CO AB00784 [0,1,0,1,0,0|0,0,2]=4 180 B8R1.2 C1CNCCC1CO PB10118 [0,1,0,1,0,0|0,0,2]=4 181 B8R1.2 C1COC(CN1)CN PB15765 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.2 C1COC(CO1)CCl AB10617 [0,1,0,1,0,0|1,0,1]=4 183 B8R1.2 C1COC(CO1)CN AB10620 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.2 C1COCC(N1)CO AB17137 [0,1,0,1,0,0|1,0,1]=4 185 B8R1.2 C1COCCC1CO PB18487 [0,1,0,1,0,0|0,0,2]=4 186 B8R1.2 C1COC[C@@H](N1)CO AB29968 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.2 C1CSCCC1CO PB28111 [0,1,0,1,0,0|0,0,2]=4 188 B8R1.2 CCC1CNCCO1 AB49621 [0,1,0,1,0,0|0,0,2]=4 189 B8R1.2 CCC1COCCN1 AB49617 [0,1,0,1,0,0|1,0,1]=4 190 B8R1.2 COC1=CCOCC1 PB24535 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.2 COC1CCCNC1 PB14414 [0,1,0,1,0,0|1,0,1]=4 192 B8R1.2 COC1CCNCC1 PB10390 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.2 COC1CCNCC1 PB34075 [0,1,0,1,0,0|1,0,1]=4 194 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [0,1,0,1,0,0|1,0,1]=4 196 B8R1.2 CO[C@H]1CCCNC1 PB13690 [0,1,0,1,0,0|1,0,1]=4 197 B8R1.2 CO[C@H]1CCCNC1 PB31836 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,1,0,1,0,0|0,0,2]=4 199 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,1,0,1,0,0|0,0,2]=4 200 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,1,0,1,0,0|0,0,2]=4 201 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,1,0,1,0,0|0,0,2]=4 202 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,1,0,1,0,0|1,0,1]=4 206 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.5 CC1C(OCCN1)C AB72725 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.5 CC1CCNCC1O PB36981 [0,1,0,1,0,0|0,0,2]=4 213 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,1,0,1,0,0|0,0,2]=4 215 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,1,0,1,0,0|0,0,2]=4 216 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,1,0,1,0,0|0,0,2]=4 217 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,1,0,1,0,0|0,0,2]=4 219 B8R1.8 C1C=C(N=N1)CCN AB60568 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.8 C1C=NC(=N1)CCN AB11463 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.8 C1CC(NC1)CCO CB10162 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.8 C1CC(NC1)CCO PB35354 [0,1,0,1,0,0|0,0,2]=4 223 B8R1.8 C1CC(OC1)CCI AB76593 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.8 C1CC(OC1)CCN AB30605 [0,1,0,1,0,0|0,0,2]=4 225 B8R1.8 C1CCC(C1)CON CB11464 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.8 C1CNCC1CCO PB20322 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.8 C1N=CC=[N+]1CCN AB72185 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.8 CNCc1ccno1 AB27949 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.8 COCC1CCNC1 PB18902 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.8 COC[C@@H]1CCCN1 PB10025 [0,1,0,1,0,0|1,0,1]=4 231 B8R1.8 COC[C@@H]1CCNC1 PB35406 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.8 COC[C@H]1CCCN1 PB15637 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.8 COC[C@H]1CCNC1 PB35853 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.8 c1c(con1)CCO AB22774 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.8 c1cc(sc1)CCO PB32074 [0,1,0,1,0,0|0,0,2]=4 236 B8R1.8 c1cn(nn1)CCO AB16637 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.8 c1cscc1CCO PB25903 [0,1,0,1,0,0|0,0,2]=4 238 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,1,0,1,0,0|0,0,2]=4 240 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,1,0,1,0,0|0,0,2]=4 241 B8R1.11 CO[C@H]1CNC[C@@H]1O PB22508 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.11 Cn1c(ccn1)CO PB14601 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.11 Cn1cncc1CO PB17276 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,1,0,1,0,0|0,0,1]=3 246 B8R1.22 C1CC(CCNC1)O PB18652 [0,1,0,1,0,0|0,0,2]=4 247 B8R1.22 C1CC(CCOC1)N AB70734 [0,1,0,1,0,0|0,0,2]=4 248 B8R1.22 C1CNCCNC1=O AB07054 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.36 COCCNC1CC1 MB07709 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.1 C1=C(N=NC1CO)N PB28121 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.1 C1=C(N=NC1CO)O AB44010 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.1 C1C(CNC1=O)CO PB26709 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.1 C1CC(=O)NC1CN AB28123 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.1 CCc1cnc(o1)N AB64704 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.1 CN1CC[C@H](C1)CO PB31861 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.1 Cn1ccc(c1)CO AB09760 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.1 Cn1ccc(n1)CO PB20290 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.3 C1CC(=O)NCC1N PB22229 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,1,0,1,0,0|0,0,2]=4 267 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,1,0,1,0,0|0,0,2]=4 268 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,1,0,1,0,0|0,0,2]=4 269 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,1,0,1,0,0|0,0,2]=4 270 B8R1.3 CC1CNC(CO1)C AB55657 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.3 CN1CCC(=CC1)I AB70135 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.3 CN1CCC(CC1)O PB18398 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.52 C1C=CCC1(CO)N AB20183 [0,1,0,1,0,0|0,0,2]=4 274 B8R1.52 C1CNCC1(CO)O PB38183 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.52 C1COCC1(CO)N PB16775 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.52 C[C@@]1(CCCN1)CO PB37364 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.52 C[C@]1(CCCN1)CO PB35769 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.4 C1CNC(=O)CC1N PB11631 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,1,0,0|1,0,0]=3 280 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|0,0,1]=3 282 B8R1.4 CC1CC(CCN1)O PB10241 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.4 CC1CC(CCO1)O PB22789 [0,1,0,1,0,0|0,0,2]=4 284 B8R1.4 CN1CCCC(C1)O PB17042 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|0,0,1]=3 288 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|0,0,1]=3 292 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.7 CC(c1ccno1)N AB27932 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.72 CC1(CCCNC1)O PB32801 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.72 CC1(CCNCC1)O PB10877 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.72 CC1(CCNCC1)O PB32903 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.72 CC1(CNCCO1)C AB51044 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.37 C1CC1C(CCO)N AB14427 [0,1,0,1,0,0|0,0,2]=4 301 B8R2.11 C1[C@@H]2[C@@H]([C@H]2O)CN1 PB28802 [0,0,0,2,0,0|1,0,1]=4 302 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [0,0,0,2,0,0|1,0,1]=4 303 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [0,0,0,2,0,0|1,0,1]=4 304 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [0,0,0,2,0,0|1,0,1]=4 305 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [0,0,0,2,0,0|1,0,1]=4 306 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [0,0,0,2,0,0|1,0,1]=4