0 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.4 CC1=C(C=NC1)C PB27606 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.4 CC1C(=NC=N1)C AB09621 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.4 Cc1c(cco1)N AB71442 [0,0,0,0,0,0|1,0,3]=4 11 B7R1.4 Cc1c(cno1)N MB10128 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.4 Cc1c(nco1)N MB11380 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.4 Cc1c(ocn1)C AB63543 [0,0,0,0,0,0|2,0,2]=4 14 B6R1.2 C1C=C(CO1)I AB84905 [1,0,0,0,0,0|1,0,1]=3 15 B6R1.2 C1CNCC1=O PB21807 [1,0,0,0,0,0|1,0,0]=2 16 B6R1.2 C1CNCC1F AB27153 [1,0,0,0,0,0|2,0,1]=4 17 B6R1.2 C1CNCC1F PB27633 [1,0,0,0,0,0|2,0,1]=4 18 B6R1.2 C1CNCC1O PB24775 [1,0,0,0,0,0|1,0,2]=4 19 B6R1.2 C1CNC[C@@H]1F AB27158 [1,0,0,0,0,0|2,0,1]=4 20 B6R1.2 C1CNC[C@@H]1F PB23386 [1,0,0,0,0,0|2,0,1]=4 21 B6R1.2 C1CNC[C@@H]1N AB02820 [1,0,0,0,0,0|2,0,1]=4 22 B6R1.2 C1CNC[C@@H]1O PB17129 [1,0,0,0,0,0|1,0,2]=4 23 B6R1.2 C1CNC[C@@H]1O PB18456 [1,0,0,0,0,0|1,0,2]=4 24 B6R1.2 C1CNC[C@H]1F AB27154 [1,0,0,0,0,0|2,0,1]=4 25 B6R1.2 C1CNC[C@H]1F PB20102 [1,0,0,0,0,0|2,0,1]=4 26 B6R1.2 C1CNC[C@H]1N AB02823 [1,0,0,0,0,0|2,0,1]=4 27 B6R1.2 C1CNC[C@H]1O PB30638 [1,0,0,0,0,0|1,0,2]=4 28 B6R1.2 C1CNC[C@H]1O PB32171 [1,0,0,0,0,0|1,0,2]=4 29 B6R1.2 C1COCC1=O PB17440 [1,0,0,0,0,0|0,0,0]=1 30 B6R1.2 C1COCC1Br PB20333 [1,0,0,0,0,0|1,0,1]=3 31 B6R1.2 C1COCC1I PB14773 [1,0,0,0,0,0|1,0,1]=3 32 B6R1.2 C1COCC1N PB27801 [1,0,0,0,0,0|1,0,1]=3 33 B6R1.2 C1COCC1O PB24525 [1,0,0,0,0,0|0,0,2]=3 34 B6R1.2 C1COC[C@@H]1I PB34863 [1,0,0,0,0,0|1,0,1]=3 35 B6R1.2 C1COC[C@@H]1N PB10514 [1,0,0,0,0,0|1,0,1]=3 36 B6R1.2 C1COC[C@@H]1O PB17096 [1,0,0,0,0,0|0,0,2]=3 37 B6R1.2 C1COC[C@H]1I PB22839 [1,0,0,0,0,0|1,0,1]=3 38 B6R1.2 C1COC[C@H]1N PB18852 [1,0,0,0,0,0|1,0,1]=3 39 B6R1.2 C1COC[C@H]1O PB25950 [1,0,0,0,0,0|0,0,2]=3 40 B6R1.2 C1CONC1=O MB10654 [1,0,0,0,0,0|1,0,0]=2 41 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,0,0,0|0,0,1]=2 42 B6R1.2 CC1CCCN1 AB44503 [1,0,0,0,0,0|1,0,1]=3 43 B6R1.2 CC1CCNC1 AB41901 [1,0,0,0,0,0|2,0,1]=4 44 B6R1.2 C[C@@H]1CCCN1 AB29488 [1,0,0,0,0,0|1,0,1]=3 45 B6R1.2 C[C@@H]1CCCN1 AB42774 [1,0,0,0,0,0|1,0,1]=3 46 B6R1.2 C[C@@H]1CCNC1 AB29518 [1,0,0,0,0,0|2,0,1]=4 47 B6R1.2 C[C@H]1CCCN1 AB29489 [1,0,0,0,0,0|1,0,1]=3 48 B6R1.2 C[C@H]1CCNC1 AB29522 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.11 C1C(C(=O)CO1)C#N PB39082 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.11 C1C(C(=O)CS1)C#N PB17090 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,1,0,0,0,0|1,0,1]=3 52 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.11 CN1CCC[C@@H]1CN PB21275 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.11 CN1CCC[C@H]1CN PB34570 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.11 Cc1c(nco1)C=O AB62633 [0,1,0,0,0,0|1,0,2]=4 57 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [0,1,0,0,0,0|1,0,1]=3 58 B8R1.18 CN1CC(CC1=O)N PB22380 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.50 C1CC(=O)N(C1=O)O AB00437 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.50 C1CN(C(=O)C1N)O AB02803 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.50 CN1C(=O)CNC1=O AB65979 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 CNC(=O)CC#N AB03253 [0,0,1,0,0,0|2,0,1]=4 63 B6R0.1 COC(=N)CCCl AB61008 [0,0,1,0,0,0|3,0,0]=4 64 B6R0.1 COC(=O)CC#C AB11822 [0,0,1,0,0,0|2,0,1]=4 65 B6R0.3 CC(C)C(=O)NN PB30560 [0,0,1,0,0,0|3,0,0]=4 66 B6R0.3 CC(CN)C(=O)O AB00933 [0,0,1,0,0,0|3,0,0]=4 67 B6R0.3 CCC(C(=O)O)N AB00928 [0,0,1,0,0,0|3,0,0]=4 68 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,0,1,0,0,0|3,0,0]=4 69 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [0,0,1,0,0,0|2,0,0]=3 70 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,0,1,0,0,0|3,0,0]=4 71 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,0,1,0,0,0|3,0,0]=4 72 B6R1.4 CC1C(CN1)O PB39176 [0,0,0,0,1,0|1,0,2]=4 73 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,0,0,0,0,1|2,0,1]=4 74 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,0,0,0,0,1|2,0,1]=4 75 B8R1.4 C1CNC(=O)CC1N PB11631 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,0,0,0,0,1|2,0,1]=4 78 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,0,0,0,0,1|1,0,0]=2 79 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,0,0,0,0,1|0,0,0]=1 80 B8R1.4 CC1CC(CCN1)O PB10241 [0,0,0,0,0,1|1,0,2]=4 81 B8R1.4 CC1CC(CCO1)O PB22789 [0,0,0,0,0,1|0,0,2]=3 82 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,0,0,0,0,1|2,0,0]=3 83 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,0,0,0,0,1|2,0,0]=3 84 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,0,0,0,0,1|0,0,0]=1 85 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,0,0,0,0,1|2,0,1]=4 86 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,0,0,0,0,1|2,0,1]=4 87 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,0,0,0,0,1|2,0,0]=3 88 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,0,0,0,0,1|1,0,2]=4 89 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,0,0,0,0,1|0,0,0]=1 90 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,0,0,0,0,1|2,0,0]=3 91 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,0,0,0,0,1|1,0,2]=4 92 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,0,0,0,0,1|2,0,0]=3 93 B8R1.5 C1CNCC(C1=O)F PB20587 [0,0,0,0,0,1|2,0,0]=3 94 B8R1.5 C1COCC(C1=O)Br PB18064 [0,0,0,0,0,1|1,0,0]=2 95 B8R1.5 C1COCC(C1=O)F PB28362 [0,0,0,0,0,1|1,0,0]=2 96 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,0,0,0,0,1|2,0,1]=4 97 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,0,0,0,0,1|2,0,1]=4 98 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,0,0,0,0,1|1,0,2]=4 99 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,0,0,0,0,1|1,0,2]=4 100 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,0,0,0,0,1|2,0,0]=3 101 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,0,0,0,0,1|2,0,0]=3 102 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,0,0,0,0,1|1,0,0]=2 103 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,0,0,0,0,1|0,0,0]=1 104 B8R1.5 CC1C(NCCN1)C AB36996 [0,0,0,0,0,1|2,0,1]=4 105 B8R1.5 CC1C(OCCN1)C AB72725 [0,0,0,0,0,1|1,0,1]=3 106 B8R1.5 CC1C=CN=NC1=O PB32620 [0,0,0,0,0,1|2,0,1]=4 107 B8R1.5 CC1CCNCC1=O PB36769 [0,0,0,0,0,1|1,0,0]=2 108 B8R1.5 CC1CCNCC1O PB36981 [0,0,0,0,0,1|1,0,2]=4 109 B8R1.5 CC1CNCCC1=O PB23474 [0,0,0,0,0,1|1,0,0]=2 110 B8R1.5 CC1COCCC1=O PB26907 [0,0,0,0,0,1|0,0,0]=1 111 B8R1.5 CN1CCNCC1=O PB24934 [0,0,0,0,0,1|2,0,0]=3 112 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,0,0,0,0,1|1,0,0]=2 113 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,0,0,0,0,1|1,0,2]=4 114 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,0,0,0,0,1|1,0,2]=4 115 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,0,0,0,0,1|1,0,2]=4 116 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,0,0,0,0,1|1,0,1]=3 117 B8R1.5 C[C@@H]1[C@H](NCCN1)C AB36998 [0,0,0,0,0,1|2,0,1]=4 118 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,0,0,0,0,1|1,0,0]=2 119 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,0,0,0,0,1|1,0,2]=4 120 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,0,0,0,0,1|1,0,1]=3 121 B8R1.5 C[C@H]1[C@@H](NCCN1)C AB36997 [0,0,0,0,0,1|2,0,1]=4 122 B5R0.1 C(CO)C(=N)N AB48909 [1,0,1,0,0,0|2,0,0]=4 123 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [1,0,1,0,0,0|2,0,0]=4 124 B5R0.1 CC(=O)\C=N\O AB00206 [1,0,1,0,0,0|1,0,1]=4 125 B5R0.2 COCCON MB08235 [1,0,1,0,0,0|2,0,0]=4 126 B5R0.3 C=C(CO)CO PB20901 [1,0,1,0,0,0|2,0,0]=4 127 B5R0.3 CCC(=O)C=O AB21438 [1,0,1,0,0,0|0,0,2]=4 128 B5R0.3 CCC(=O)NN PB26058 [1,0,1,0,0,0|2,0,0]=4 129 B5R0.3 COC(=O)CN AB01112 [1,0,1,0,0,0|2,0,0]=4 130 B5R0.5 CC(C(=O)N)N AB43014 [1,0,1,0,0,0|2,0,0]=4 131 B5R0.5 CC(C)C(=N)N AB07702 [1,0,1,0,0,0|2,0,0]=4 132 B5R0.5 CC(C)C(=S)N AB32169 [1,0,1,0,0,0|1,1,0]=4 133 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,0,1,0,0,0|2,0,0]=4 134 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.3 COC(=O)CCC=C AB16906 [0,1,1,0,0,0|2,0,0]=4 136 B7R0.3 COC(=O)CCCO AB65249 [0,1,1,0,0,0|1,0,0]=3 137 B7R0.3 C[C@H](CO)OCOC AB53701 [0,1,1,0,0,0|0,0,2]=4 138 B7R0.5 CC(C)C(=O)CC#N AB22304 [0,1,1,0,0,0|1,0,1]=4 139 B7R0.5 CC(C)C(CCO)N AB31007 [0,1,1,0,0,0|1,0,1]=4 140 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,1,1,0,0,0|2,0,0]=4 141 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,1,1,0,0,0|2,0,0]=4 142 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,1,1,0,0,0|1,0,1]=4 143 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,1,1,0,0,0|2,0,0]=4 144 B7R0.7 COCC(=O)CC#N AB63823 [0,1,1,0,0,0|1,0,1]=4 145 B7R0.10 CCC(C(=O)OC)N AB16757 [0,1,1,0,0,0|2,0,0]=4 146 B7R0.11 CCO[C@@](C)(CO)O AB31299 [0,1,1,0,0,0|0,0,2]=4 147 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [0,1,1,0,0,0|2,0,0]=4 148 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [0,1,1,0,0,0|2,0,0]=4 149 B7R0.14 CC(C)(C(=O)OC)F AB13921 [0,1,1,0,0,0|2,0,0]=4 150 B7R0.14 CC(C)(C)C(=O)CN AB29945 [0,1,1,0,0,0|2,0,0]=4 151 B7R0.15 CC(C(OC)OC)Br AB64104 [0,1,1,0,0,0|1,0,1]=4 152 B7R0.15 CCC(CN)C(=O)O AB62466 [0,1,1,0,0,0|2,0,0]=4 153 B7R0.1 CNCCCCC=C CB11323 [0,1,1,0,0,0|2,0,0]=4 154 B7R1.1 C#CC1CCOC1 PB28898 [1,1,0,0,0,0|1,0,1]=4 155 B7R1.1 C1CC(OC1)CI AB24846 [1,1,0,0,0,0|0,0,1]=3 156 B7R1.1 C1CC(OC1)CN AB00408 [1,1,0,0,0,0|0,0,1]=3 157 B7R1.1 C1CC=C(C1)CBr PB30182 [1,1,0,0,0,0|1,0,1]=4 158 B7R1.1 C1CCC(C1)C=O AB02400 [1,1,0,0,0,0|1,0,1]=4 159 B7R1.1 C1CCC(C1)CBr AB50196 [1,1,0,0,0,0|1,0,1]=4 160 B7R1.1 C1CCC(C1)CI AB15507 [1,1,0,0,0,0|1,0,1]=4 161 B7R1.1 C1CCC(C1)CN AB17884 [1,1,0,0,0,0|1,0,1]=4 162 B7R1.1 C1COCC1C#N PB22187 [1,1,0,0,0,0|1,0,1]=4 163 B7R1.1 C1COCC1CBr PB10518 [1,1,0,0,0,0|1,0,1]=4 164 B7R1.1 C1COCC1CCl MB04735 [1,1,0,0,0,0|1,0,1]=4 165 B7R1.1 C1COCC1CI PB23453 [1,1,0,0,0,0|1,0,1]=4 166 B7R1.1 C1COCC1CN PB10526 [1,1,0,0,0,0|1,0,1]=4 167 B7R1.1 C1COCC1CO PB30586 [1,1,0,0,0,0|0,0,2]=4 168 B7R1.1 C1COC[C@@H]1C#N PB19741 [1,1,0,0,0,0|1,0,1]=4 169 B7R1.1 C1COC[C@@H]1CN PB15453 [1,1,0,0,0,0|1,0,1]=4 170 B7R1.1 C1COC[C@@H]1CO PB30186 [1,1,0,0,0,0|0,0,2]=4 171 B7R1.1 C1COC[C@H]1C#N PB11493 [1,1,0,0,0,0|1,0,1]=4 172 B7R1.1 C1COC[C@H]1CN PB18204 [1,1,0,0,0,0|1,0,1]=4 173 B7R1.1 C1COC[C@H]1CO PB34870 [1,1,0,0,0,0|0,0,2]=4 174 B7R1.1 C1C[C@@H](NC1)CO PB21663 [1,1,0,0,0,0|1,0,1]=4 175 B7R1.1 C1C[C@H](NC1)CF PB15907 [1,1,0,0,0,0|1,0,1]=4 176 B7R1.1 C1C[C@H](NC1)CN PB13488 [1,1,0,0,0,0|1,0,1]=4 177 B7R1.1 C1C[C@H](NC1)CO PB30520 [1,1,0,0,0,0|1,0,1]=4 178 B7R1.1 CCC1CCCN1 AB12042 [1,1,0,0,0,0|1,0,1]=4 179 B7R1.1 CNC1CCOC1 PB17482 [1,1,0,0,0,0|1,0,1]=4 180 B7R1.1 CN[C@@H]1CCOC1 PB30485 [1,1,0,0,0,0|1,0,1]=4 181 B7R1.1 CN[C@H]1CCOC1 PB11771 [1,1,0,0,0,0|1,0,1]=4 182 B7R1.2 C1C(CNC1=O)N PB17844 [1,1,0,0,0,0|2,0,0]=4 183 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [1,1,0,0,0,0|2,0,0]=4 184 B7R1.2 C1[C@H](CNC1=O)O AB05836 [1,1,0,0,0,0|2,0,0]=4 185 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,1,0,0,0,0|2,0,0]=4 186 B7R1.2 CN1CCC(=O)C1 PB26542 [1,1,0,0,0,0|1,0,0]=3 187 B7R1.14 CC1(CCCN1)C PB25045 [1,1,0,0,0,0|1,0,1]=4 188 B7R1.14 CC1(CCOC1)N PB13539 [1,1,0,0,0,0|1,0,1]=4 189 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,0,1,0|0,0,0]=2 190 B7R1.8 CN1CCC1CN PB37073 [0,1,0,0,1,0|2,0,0]=4 191 B7R1.8 CN1CC[C@@H]1CN PB35830 [0,1,0,0,1,0|2,0,0]=4 192 B7R1.8 CN1CC[C@H]1CN PB38844 [0,1,0,0,1,0|2,0,0]=4 193 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,1,0,0,0,1|1,0,0]=3 194 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,1,0,0,0,1|2,0,0]=4 195 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,1,0,0,0,1|1,0,0]=3 197 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,1,0,0,0,1|2,0,0]=4 198 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,1,0,0,0,1|2,0,0]=4 202 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,1,0,0,0,1|2,0,0]=4 203 B9R1.15 C1CNCC(C1=O)C#N PB21729 [0,1,0,0,0,1|1,0,1]=4 204 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,1,0,0,0,1|1,0,0]=3 205 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,1,0,0,0,1|1,0,0]=3 206 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,0,0,1|1,0,0]=3 207 B9R1.15 CCC1COCCC1=O AB75455 [0,1,0,0,0,1|0,0,0]=2 208 B9R1.15 CCN1CCNCC1=O AB30261 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,1,0,0,0,1|1,0,0]=3 210 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,1,0,0,0,1|1,0,0]=3 211 B9R1.15 COC1COCCC1=O PB17702 [0,1,0,0,0,1|0,0,0]=2 212 B9R1.15 CO[C@@H]1COCC[C@H]1N PB16870 [0,1,0,0,0,1|1,0,1]=4 213 B9R1.15 CO[C@H]1COCC[C@H]1N PB22953 [0,1,0,0,0,1|1,0,1]=4 214 B9R1.40 C1CNCC(C1=O)(F)F PB31926 [0,1,0,0,0,1|2,0,0]=4 215 B9R1.40 CC1(C(=O)NCCN1)C AB09796 [0,1,0,0,0,1|1,0,0]=3 216 B9R1.40 CC1(C(=O)NCCO1)C AB71828 [0,1,0,0,0,1|0,0,0]=2 217 B9R1.40 CC1(CNCCC1=O)C PB31517 [0,1,0,0,0,1|1,0,0]=3 218 B9R1.33 CCCN1CCCC1=O AB51341 [0,2,0,0,0,0|2,0,0]=4 219 B9R1.132 CN1C(CCC1=O)C#N MB69103 [0,2,0,0,0,0|2,0,0]=4 220 B9R1.132 CN1C(CCC1=O)C=C MB69106 [0,2,0,0,0,0|2,0,0]=4 221 B9R1.132 CN1C(CCC1=O)CO MB69102 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.23 CN1CC(CC1=O)CN PB25187 [0,2,0,0,0,0|2,0,0]=4 223 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,1,1,0,0|2,0,0]=4 224 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,1,1,0,0|2,0,0]=4 225 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,1,1,0,0|2,0,0]=4 226 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,1,1,0,0|2,0,0]=4 227 B7R1.3 C1CNCCC1=O PB32095 [0,0,1,1,0,0|1,0,0]=3 228 B7R1.3 C1COCC=C1I AB69543 [0,0,1,1,0,0|1,0,1]=4 229 B7R1.3 C1COCCC1=O PB24536 [0,0,1,1,0,0|0,0,0]=2 230 B7R1.3 C1COCCC1Br PB24975 [0,0,1,1,0,0|1,0,1]=4 231 B7R1.3 C1COCCC1Cl AB02848 [0,0,1,1,0,0|1,0,1]=4 232 B7R1.3 C1COCCC1I PB13042 [0,0,1,1,0,0|1,0,1]=4 233 B7R1.3 C1COCCC1N AB11128 [0,0,1,1,0,0|1,0,1]=4 234 B7R1.3 C1COCCC1N PB27421 [0,0,1,1,0,0|1,0,1]=4 235 B7R1.3 C1COCCC1O PB11583 [0,0,1,1,0,0|0,0,2]=4 236 B7R1.3 C1CSCCC1=O PB25896 [0,0,1,1,0,0|0,1,0]=3 237 B7R1.3 CC1CNCCO1 PB23610 [0,0,1,1,0,0|1,0,1]=4 238 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,0,1,1,0,0|1,0,1]=4 239 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,0,1,1,0,0|1,0,1]=4 240 B7R1.6 CCOC1CNC1 AB30388 [0,0,1,1,0,0|1,0,1]=4 241 B7R1.10 CCN1CC(C1)O PB27080 [0,0,1,1,0,0|2,0,0]=4 242 B7R1.22 C1CC1C(=O)CBr AB45693 [0,0,1,1,0,0|2,0,0]=4 243 B7R1.25 CC1(COC1)C=O PB34454 [0,0,1,1,0,0|2,0,0]=4 244 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,0,1,1,0,0|2,0,0]=4 245 B7R1.18 C1CNC1C(=O)N MB03936 [0,0,1,1,0,0|2,0,0]=4 246 B7R1.18 C1CNC1C(=O)O PB12060 [0,0,1,1,0,0|2,0,0]=4 247 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,0,1,1,0,0|2,0,0]=4 248 B7R1.18 C1COC1C(=O)O PB26385 [0,0,1,1,0,0|1,0,0]=3 249 B7R1.18 CC(C1CCC1)O CB10183 [0,0,1,1,0,0|1,0,1]=4 250 B7R2.13 C1CNC2C1C2 PB29591 [1,0,0,1,0,0|1,0,1]=4 251 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [0,0,0,1,0,1|1,0,0]=3 252 B9R2.3 C1COC2C1CNC2 PB24169 [0,1,0,1,0,0|1,0,1]=4 253 B5R1.2 C1C(=O)CN1 PB32275 [1,0,0,0,1,0|1,0,0]=3 254 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,0,1,0|0,0,0]=2 255 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,0,1,0|0,1,0]=3 256 B5R1.2 C1C(CO1)Br PB32639 [1,0,0,0,1,0|1,0,1]=4 257 B5R1.2 C1C(CO1)Cl PB33445 [1,0,0,0,1,0|1,0,1]=4 258 B5R1.2 C1C(CO1)F AB71732 [1,0,0,0,1,0|1,0,1]=4 259 B5R1.2 C1C(CO1)I PB20276 [1,0,0,0,1,0|1,0,1]=4 260 B5R1.2 C1C(CO1)N MB07029 [1,0,0,0,1,0|1,0,1]=4 261 B5R1.2 C1C(CO1)N PB31297 [1,0,0,0,1,0|1,0,1]=4 262 B5R1.2 C1C(CO1)O PB25111 [1,0,0,0,1,0|0,0,2]=4 263 B5R1.2 C1C(CO1)S PB31940 [1,0,0,0,1,0|0,1,1]=4 264 B5R1.2 CC1CNC1 PB16157 [1,0,0,0,1,0|1,0,1]=4 265 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,0,0,0,0,2|1,0,0]=3 266 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,0,0,2|2,0,0]=4 267 B9R1.5 CN1CCNCCC1=O AB49613 [0,0,0,0,0,2|2,0,0]=4