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 CCO\C=C(/C)\C#N AB77030 [0,1,0,0,0,0|2,0,1]=4 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|3,0,0]=4 6 B7R0.4 B(\C=C\CCC)(O)O AB08112 [0,1,0,0,0,0|1,0,0]=2 7 B7R0.4 B(\C=C\COC)(O)O AB17382 [0,1,0,0,0,0|2,0,0]=3 8 B7R1.1 C1C=C(N=N1)CCl AB44943 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.1 C1C=C(N=N1)CN AB59768 [0,0,0,1,0,0|3,0,0]=4 10 B7R1.1 C1C=C(N=N1)CN CB11648 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.1 C1C=C(N=N1)CN PB34098 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.1 C1C=C(N=N1)CO CB12075 [0,0,0,1,0,0|2,0,0]=3 13 B7R1.1 C1C=C(N=N1)CO PB23601 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.1 C1C=NC(=N1)CO AB23143 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.1 C1CC(OC1)CI AB24846 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.1 C1CC(OC1)CN AB00408 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.1 C1CC=C(C1)CBr PB30182 [0,0,0,1,0,0|1,0,0]=2 18 B7R1.1 C1CCC(C1)CBr AB50196 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.1 C1CCC(C1)CI AB15507 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.1 C1CCC(C1)CN AB17884 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.1 C1CNCC1CO PB15896 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.1 C1CNCC1CO PB31387 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,0,0,1,0,0|1,0,2]=4 24 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.1 C1CNC[C@H]1CO PB31350 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.1 C1CNC[C@H]1CO PB32765 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.1 C1COCC1CO PB30586 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.1 C1COC[C@@H]1CO PB30186 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.1 C1COC[C@H]1CO PB34870 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,0,0,1,0,0|1,0,1]=3 31 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,0,0,1,0,0|1,0,1]=3 34 B7R1.1 CCC1=CN=CC1 AB31265 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.1 CCC1CCCN1 AB12042 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.1 CCC1CCNC1 AB41905 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.1 c1c(con1)CO PB14463 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.1 c1c(nco1)CO PB29559 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.1 c1c(ncs1)CO AB20478 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.1 c1c(ocn1)CO PB32681 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.1 c1c(scn1)CO AB20492 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.1 c1cc(oc1)CCl MB06568 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.1 c1cc(sc1)CO PB10001 [0,0,0,1,0,0|1,0,2]=4 45 B7R1.1 c1cnoc1CN AB27950 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.1 c1cnoc1CN AB27954 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.1 c1cnoc1CO AB28102 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.1 c1conc1CO PB15902 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.1 c1cscc1CO PB10036 [0,0,0,1,0,0|1,0,2]=4 50 B7R1.3 C1CC(CNC1)F PB33693 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.3 C1CC(CNC1)O PB27381 [0,0,0,1,0,0|1,0,1]=3 52 B7R1.3 C1CC(CNC1)S PB34789 [0,0,0,1,0,0|1,1,1]=4 53 B7R1.3 C1CC(COC1)Br MB04535 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.3 C1CC(COC1)N PB30901 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.3 C1CC(COC1)O PB32182 [0,0,0,1,0,0|1,0,1]=3 56 B7R1.3 C1CCNC(C1)O MB03551 [0,0,0,1,0,0|1,0,1]=3 57 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,0,0,1,0,0|1,0,2]=4 58 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.3 C1COC(CN1)O CB11808 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.3 C1COCCC1O PB11583 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,0,0,1,0,0|1,0,1]=3 64 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,0,0,1,0,0|1,0,1]=3 67 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,0,0,1,0,0|1,0,1]=3 68 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.3 CC1CNCCO1 PB23610 [0,0,0,1,0,0|1,0,1]=3 70 B7R1.3 CC1COCCN1 AB49614 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,0,0,1,0,0|1,0,1]=3 73 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,0,0,1,0,0|1,0,1]=3 78 B7R1.3 C[C@H]1COCCN1 AB16412 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,0,0,1,0,0|1,0,2]=4 80 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,0,0,1,0,0|1,0,2]=4 83 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.6 C1C(=CC#N)CO1 PB15181 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.6 C1C(CO1)CCO PB15326 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.6 C1CC(C1)CCN PB23748 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.6 C1CN(C1)CCCl PB37452 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.6 COC=C1COC1 AB76192 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.7 C1CC1OCCCl AB18070 [0,0,0,1,0,0|2,0,1]=4 93 B4R0.2 C(=C\O)/C#N AB85343 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.2 C(CN)CCl AB06220 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.2 C=CCCBr AB00123 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.2 C=CCCN AB14698 [2,0,0,0,0,0|1,0,0]=3 97 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.1 CCCC(=N)NN AB56218 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.1 CCNC(=O)C=C CB10170 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.1 CCOC(=N)CCl AB60917 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.1 CCOC(=N)CO AB60920 [1,1,0,0,0,0|1,0,0]=3 102 B6R0.1 COC(=N)CCCl AB61008 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.1 COCC(CO)N AB24949 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.4 CC(=O)\C=C\OC AB00959 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.7 B(CCCCCC)(O)O AB08083 [0,2,0,0,0,0|0,0,2]=4 106 B8R0.7 B(\C=C\CCCC)(O)O AB08038 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [0,2,0,0,0,0|1,0,1]=4 108 B8R0.21 CCO\C=C\C(F)(F)F AB71812 [0,2,0,0,0,0|2,0,0]=4 109 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,1,0,0|1,0,0]=3 110 B6R1.2 C1C=C(CO1)I AB84905 [1,0,0,1,0,0|2,0,0]=4 111 B6R1.2 C1C=CCC1N CB10532 [1,0,0,1,0,0|1,0,0]=3 112 B6R1.2 C1CNCC1O PB24775 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.2 C1CNC[C@@H]1O PB17129 [1,0,0,1,0,0|1,0,1]=4 114 B6R1.2 C1CNC[C@@H]1O PB18456 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.2 C1CNC[C@H]1O PB30638 [1,0,0,1,0,0|1,0,1]=4 116 B6R1.2 C1CNC[C@H]1O PB32171 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.2 C1COCC1O PB24525 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.2 C1COC[C@@H]1O PB17096 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.2 C1COC[C@H]1O PB25950 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,1,0,0|1,0,0]=3 121 B6R1.2 CC1=CN=CC1 PB12076 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.2 CC1=CN=NC1 AB00390 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.2 CC1=NC=CC1 AB12705 [1,0,0,1,0,0|1,0,1]=4 124 B6R1.2 CC1CCCN1 AB44503 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.2 CC1CCNC1 AB41901 [1,0,0,1,0,0|1,0,1]=4 126 B6R1.2 C[C@@H]1CCCN1 AB29488 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.2 C[C@@H]1CCCN1 AB42774 [1,0,0,1,0,0|1,0,1]=4 128 B6R1.2 C[C@@H]1CCNC1 AB29518 [1,0,0,1,0,0|1,0,1]=4 129 B6R1.2 C[C@H]1CCCN1 AB29489 [1,0,0,1,0,0|1,0,1]=4 130 B6R1.2 C[C@H]1CCNC1 AB29522 [1,0,0,1,0,0|1,0,1]=4 131 B6R1.3 C1CC1CC=O AB51242 [1,0,0,1,0,0|0,0,2]=4 132 B6R1.3 C1CC1CCN AB23437 [1,0,0,1,0,0|1,0,1]=4 133 B6R1.3 C1CC1CCN PB11093 [1,0,0,1,0,0|1,0,1]=4 134 B6R1.3 C1CC1CCO PB24555 [1,0,0,1,0,0|0,0,1]=3 135 B6R1.3 C1CC1\C=C\Br AB76480 [1,0,0,1,0,0|1,0,0]=3 136 B6R1.4 CC1C(CN1)O PB39176 [1,0,0,1,0,0|1,0,1]=4 137 B6R1.6 C1C(CN1)CO PB34326 [1,0,0,1,0,0|1,0,1]=4 138 B6R1.6 C1C(CO1)CO PB28641 [1,0,0,1,0,0|1,0,1]=4 139 B6R1.6 C1CC(C1)CN PB27388 [1,0,0,1,0,0|1,0,1]=4 140 B6R1.6 C1CNC1CO PB21145 [1,0,0,1,0,0|1,0,1]=4 141 B6R1.6 C1CN[C@H]1CO PB13255 [1,0,0,1,0,0|1,0,1]=4 142 B6R1.6 C1COC1CBr PB10565 [1,0,0,1,0,0|1,0,1]=4 143 B6R1.6 C1COC1CI PB32950 [1,0,0,1,0,0|1,0,1]=4 144 B6R1.6 C1COC1CN PB12865 [1,0,0,1,0,0|1,0,1]=4 145 B6R1.6 C1COC1CO PB20918 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.2 C1CC(CNC1)CO PB21599 [0,1,0,1,0,0|0,0,2]=4 147 B8R1.2 C1CC(COC1)CO PB12514 [0,1,0,1,0,0|0,0,2]=4 148 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.2 C1CCOC(C1)CBr MB00206 [0,1,0,1,0,0|0,0,2]=4 150 B8R1.2 C1CCOC(C1)CN AB28292 [0,1,0,1,0,0|0,0,2]=4 151 B8R1.2 C1CCOC(C1)CO AB00784 [0,1,0,1,0,0|0,0,2]=4 152 B8R1.2 C1CNCCC1CO PB10118 [0,1,0,1,0,0|0,0,2]=4 153 B8R1.2 C1COC(CN1)CN PB15765 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.2 C1COC(CO1)CCl AB10617 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.2 C1COC(CO1)CN AB10620 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.2 C1COCC(N1)CO AB17137 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.2 C1COCCC1=NO AB55822 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.2 C1COCCC1CO PB18487 [0,1,0,1,0,0|0,0,2]=4 159 B8R1.2 C1COC[C@@H](N1)CO AB29968 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.2 C1CSCCC1CO PB28111 [0,1,0,1,0,0|0,0,2]=4 161 B8R1.2 CCC1CNCCO1 AB49621 [0,1,0,1,0,0|0,0,2]=4 162 B8R1.2 CCC1COCCN1 AB49617 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.2 COC1=CCOCC1 PB24535 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.2 COC1CCCNC1 PB14414 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.2 CO[C@H]1CCCNC1 PB13690 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.2 CO[C@H]1CCCNC1 PB31836 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [0,1,0,1,0,0|0,0,2]=4 170 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,1,0,1,0,0|0,0,2]=4 172 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,1,0,1,0,0|0,0,2]=4 173 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,1,0,1,0,0|0,0,2]=4 174 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,1,0,1,0,0|0,0,2]=4 175 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [0,1,0,1,0,0|1,0,1]=4 176 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,1,0,1,0,0|1,0,1]=4 178 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.5 CC1C(OCCN1)C AB72725 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.5 CC1CCNCC1O PB36981 [0,1,0,1,0,0|0,0,2]=4 182 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,1,0,1,0,0|0,0,2]=4 183 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,1,0,1,0,0|0,0,2]=4 184 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,1,0,1,0,0|0,0,2]=4 185 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,1,0,1,0,0|0,0,2]=4 186 B8R1.8 C1C=C(N=N1)CCN AB60568 [0,1,0,1,0,0|2,0,0]=4 187 B8R1.8 C1C=NC(=N1)CCN AB11463 [0,1,0,1,0,0|2,0,0]=4 188 B8R1.8 C1CC(NC1)CCO CB10162 [0,1,0,1,0,0|0,0,2]=4 189 B8R1.8 C1CC(NC1)CCO PB35354 [0,1,0,1,0,0|0,0,2]=4 190 B8R1.8 C1CC(OC1)CCI AB76593 [0,1,0,1,0,0|0,0,2]=4 191 B8R1.8 C1CC(OC1)CCN AB30605 [0,1,0,1,0,0|0,0,2]=4 192 B8R1.8 C1CCC(C1)CON CB11464 [0,1,0,1,0,0|0,0,2]=4 193 B8R1.8 C1CNCC1CCO PB20322 [0,1,0,1,0,0|0,0,2]=4 194 B8R1.8 CNCc1ccno1 AB27949 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.8 CNCc1ccon1 AB27911 [0,1,0,1,0,0|1,0,1]=4 196 B8R1.8 CNCc1ccon1 AB27912 [0,1,0,1,0,0|1,0,1]=4 197 B8R1.8 COC[C@@H]1CCCN1 PB10025 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.8 COC[C@H]1CCCN1 PB15637 [0,1,0,1,0,0|1,0,1]=4 199 B8R1.8 c1c(con1)CCN AB28074 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.8 c1c(con1)CCO AB22774 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,1,0,1,0,0|0,0,1]=3 202 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,1,0,1,0,0|0,0,2]=4 203 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,1,0,1,0,0|0,0,2]=4 204 B8R1.11 CO[C@H]1CNC[C@@H]1O PB22508 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.11 Cc1c(ncs1)CO AB44114 [0,1,0,1,0,0|1,0,1]=4 206 B8R1.11 Cc1c(ocn1)CO MB03682 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.11 Cn1c(ccn1)CO PB14601 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.11 Cn1c(ncn1)CO AB27921 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.11 Cn1cncc1CO PB17276 [0,1,0,1,0,0|1,0,1]=4 210 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,1,0,1,0,0|0,0,1]=3 212 B8R1.22 C1CC(CCNC1)O PB18652 [0,1,0,1,0,0|0,0,2]=4 213 B8R1.22 C1CC(CCOC1)N AB70734 [0,1,0,1,0,0|0,0,2]=4 214 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.36 COCCNC1CC1 MB07709 [0,1,0,1,0,0|1,0,1]=4 216 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [0,1,0,1,0,0|1,0,1]=4 217 B8R1.1 Cc1nc(co1)CO AB48508 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.1 Cn1cc(cn1)CO PB19942 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.1 Cn1ccc(c1)CO AB09760 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.1 Cn1ccc(n1)CO PB20290 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,1,0,1,0,0|0,0,2]=4 223 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,1,0,1,0,0|0,0,2]=4 225 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.3 CC1CNC(CO1)C AB55657 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.3 CN1CCC(=CC1)I AB70135 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.52 C[C@@]1(CCCN1)CO PB37364 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.52 C[C@]1(CCCN1)CO PB35769 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,1,0,1,0,0|0,0,2]=4 234 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|0,0,1]=3 237 B8R1.4 CC1CC(CCO1)O PB22789 [0,1,0,1,0,0|0,0,2]=4 238 B8R1.4 CN1CCCC(C1)O PB17042 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|0,0,1]=3 242 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|0,0,1]=3 245 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.7 B(C1=CCCC1)(O)O AB11270 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.7 C1COC=C1C(=O)O PB26262 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.7 CC(c1ccno1)N AB27932 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.35 B(\C=C\C1CC1)(O)O AB23138 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.72 CC1(CCCNC1)O PB32801 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.72 CC1(CNCCO1)C AB51044 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.37 C1CC1C(CCO)N AB14427 [0,1,0,1,0,0|0,0,2]=4 254 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [0,0,0,2,0,0|1,0,1]=4 255 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [0,0,0,2,0,0|1,0,1]=4 256 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [0,0,0,2,0,0|1,0,1]=4 257 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [0,0,0,2,0,0|1,0,1]=4 258 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [0,0,0,2,0,0|1,0,1]=4