0 B5R0.1 B(CCC)(O)O AB08045 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C#CCC(=O)O AB11673 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 C(CCl)C(=N)N AB30465 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 C(CN)C(F)F AB65227 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C(CO)C(=N)N AB48909 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 C(CO)C(F)F AB76811 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 C=C(CCCl)I MB13669 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CC(=O)\C=N\O AB00206 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 B(CC)(O)O AB08033 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C#CC(=O)N MB03070 [1,0,0,0,0,0|0,0,2]=3 11 B4R0.1 C(C(=N)N)Cl AB02229 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 C(C(=N)N)O AB12726 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 C(C(=N)N)O AB21804 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 C=C(CBr)I MB13667 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CC(=O)C=O AB00820 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(=O)NN AB00888 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CC(=O)NO AB01014 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CCC(=N)N AB07703 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 C\C(=N\O)\N AB06530 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 C#CCCN AB55798 [1,0,0,0,0,0|0,0,3]=4 22 B4R0.2 C(CN)CCl AB06220 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.2 C=CCCBr AB00123 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 C=CCCN AB14698 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 C=CCCO AB00288 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 CCCC(=N)NN AB56218 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.1 CCNC(=O)C=C CB10170 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.1 CCOC(=N)CCl AB60917 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 CCOC(=N)CO AB60920 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.1 CCOC(=O)C#N PB24520 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.1 CNC(=O)CC#N AB03253 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.1 COC(=N)CCCl AB61008 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.1 COC(=O)CC#C AB11822 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.1 COCC(CO)N AB24949 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.2 B(CC(C)C)(O)O AB03722 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.2 CC(=O)NC(=N)N AB02893 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.2 CC(C)CC(=N)N AB60903 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.2 CC(C)CC(=S)N AB52630 [0,1,0,0,0,0|0,1,0]=2 39 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.3 B(C(C)CC)(O)O AB25482 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.3 CCC(C(=O)O)N AB00928 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.3 CN(C(=O)N)N=O CB10099 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.3 COC(=O)C(=N)N AB50977 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.4 C#CCCC(=O)O CB10019 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.4 C=C(CCCCl)I MB13670 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.4 CC(=O)\C=C\OC AB00959 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.4 CN(C)CCCBr AB52731 [0,1,0,0,0,0|3,0,0]=4 53 B6R1.2 C1C=C(CO1)I AB84905 [0,0,0,1,0,0|3,0,0]=4 54 B6R1.2 C1C=C(N=N1)N PB32063 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.2 C1C=NC(=N1)N AB07116 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.2 C1C=NC(=N1)N AB29274 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.2 C1CNCC1=O PB21807 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.2 C1CNC[C@@H]1N AB02820 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.2 C1CNC[C@H]1N AB02823 [0,0,0,1,0,0|2,0,1]=4 60 B6R1.2 C1COCC1=O PB17440 [0,0,0,1,0,0|2,0,0]=3 61 B6R1.2 C1COCC1N PB27801 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.2 C1COC[C@@H]1N PB10514 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.2 C1COC[C@H]1N PB18852 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.2 C1CONC1=O MB10654 [0,0,0,1,0,0|1,0,0]=2 65 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,1,0,0|1,0,2]=4 66 B6R1.2 CC1CCCN1 AB44503 [0,0,0,1,0,0|1,0,1]=3 67 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,1,0,0|1,0,1]=3 68 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,1,0,0|1,0,1]=3 69 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,1,0,0|1,0,1]=3 70 B6R1.5 C1C(CC1=O)Br PB30412 [0,0,0,1,0,0|2,0,0]=3 71 B6R1.5 C1C(CC1=O)F PB36975 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.5 C1C(CC1=O)N PB20766 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.5 C1C(CC1F)N PB22829 [0,0,0,1,0,0|2,0,1]=4 74 B6R1.5 C1C(CC1F)N PB31217 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.5 C1C(CC1N)N PB10638 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.5 C1C(CC1O)N PB17577 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.5 C1[C@@H](C[C@@H]1N)F PB35807 [0,0,0,1,0,0|2,0,1]=4 78 B6R1.5 C1[C@@H](C[C@@H]1N)N PB39058 [0,0,0,1,0,0|2,0,1]=4 79 B6R1.5 C1[C@@H](C[C@@H]1N)O PB10634 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.5 C1[C@@H](C[C@@H]1N)O PB11282 [0,0,0,1,0,0|2,0,1]=4 81 B6R1.5 C1[C@@H](C[C@H]1N)F PB37634 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.5 C1[C@@H](C[C@H]1N)N PB38862 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.5 C1[C@@H](C[C@H]1N)O PB14636 [0,0,0,1,0,0|2,0,1]=4 84 B6R1.5 C1[C@@H](C[C@H]1N)O PB19576 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.5 CN1CC(C1)N PB23920 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.8 CS[C@@H]1C[C@H]1N MB69372 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.10 C1CS(=O)(=O)C1 CB10217 [0,0,0,1,0,0|2,0,0]=3 88 B6R1.10 CC1(CNC1)N PB18986 [0,0,0,1,0,0|2,0,1]=4 89 B6R1.10 CC1(COC1)N PB14901 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.11 B(C1CC1)(O)O AB17174 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.11 C1CC1C(=S)N AB50595 [0,0,0,1,0,0|0,1,0]=2 92 B3R0.1 C(=O)NN AB00881 [2,0,0,0,0,0|2,0,0]=4 93 B3R0.1 C(CCl)N AB03778 [2,0,0,0,0,0|1,0,0]=3 94 B3R0.1 C\C=C/I AB73504 [2,0,0,0,0,0|1,0,1]=4 95 B3R0.1 C\C=C\Br AB00109 [2,0,0,0,0,0|1,0,1]=4 96 B5R0.3 CCC(=N)NN AB56212 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.3 CCC(=O)C=O AB21438 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.3 CCC(=O)NN PB26058 [1,1,0,0,0,0|0,0,0]=2 99 B5R0.3 COC(=O)CN AB01112 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.3 CSC(=N)NN AB01522 [1,1,0,0,0,0|2,0,0]=4 101 B5R0.3 CS\C(=N/N)\N AB06574 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.5 CC(C(=O)N)N AB43014 [1,1,0,0,0,0|0,0,0]=2 103 B5R0.5 CC(C)C(=N)N AB07702 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.5 CC(C)C(=S)N AB32169 [1,1,0,0,0,0|0,1,0]=3 105 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.2 C(CBr)N=C=O AB04619 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.2 C(CC#N)CN AB52761 [1,1,0,0,0,0|0,0,2]=4 109 B5R0.2 C(CCl)N=C=O AB00198 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.2 COCCON MB08235 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.2 CCC(CC(=O)O)N AB01525 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.3 COC(=O)CCC=C AB16906 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.3 COC(=O)CCCO AB65249 [0,2,0,0,0,0|1,0,0]=3 114 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,2,0,0,0,0|0,0,1]=3 115 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,2,0,0,0,0|0,0,1]=3 116 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,2,0,0,0,0|0,0,1]=3 117 B7R0.5 CCOC(=O)C(=S)N PB24589 [0,2,0,0,0,0|1,0,0]=3 118 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,2,0,0,0,0|1,0,0]=3 119 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.7 CCOC(=O)C#CC AB01182 [0,2,0,0,0,0|2,0,0]=4 121 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.7 CCOC(=O)N=C=S AB00381 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.7 COCC(=O)CC#N AB63823 [0,2,0,0,0,0|1,0,1]=4 124 B7R0.10 CCC(C(=O)OC)N AB16757 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.9 C(C(=N)N)C(F)(F)F AB55246 [0,2,0,0,0,0|2,0,0]=4 126 B7R0.9 C(C(=O)Cl)C(F)(F)F AB07308 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.9 C(C(=O)O)C(F)(F)F AB04100 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.9 C(C(=S)N)C(F)(F)F AB52631 [0,2,0,0,0,0|1,1,0]=4 129 B7R0.9 CC(C)(C)OC(=O)N PB11584 [0,2,0,0,0,0|1,0,0]=3 130 B7R0.9 CC(C)CS(=O)(=O)Cl AB32247 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.16 C(C(=N)N)(C(=O)N)N AB53459 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,2,0,0,0,0|1,0,0]=3 133 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,2,0,0,0,0|1,0,0]=3 134 B7R0.13 CC(C)(CN)C(=O)N PB29404 [0,2,0,0,0,0|1,0,0]=3 135 B7R0.13 CC(C)(CN)C(=O)O AB49662 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [0,2,0,0,0,0|1,0,0]=3 137 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.13 C[C@@](CO)(C(=O)O)N AB03932 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.13 C[C@@](CS)(C(=O)O)N AB56457 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.13 C[C@](CO)(C(=O)O)N AB03935 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.13 C[C@](CS)(C(=O)O)N AB65504 [0,2,0,0,0,0|2,0,0]=4 142 B7R0.15 CCC(CN)C(=O)O AB62466 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [0,2,0,0,0,0|2,0,0]=4 144 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.6 CC(=O)NCC(=O)O AB00351 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.8 COCCS(=O)(=O)Cl AB56111 [0,2,0,0,0,0|2,0,0]=4 147 B5R1.2 C1C(=O)CN1 PB32275 [1,0,0,1,0,0|2,0,0]=4 148 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,1,0,0|2,0,0]=4 149 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.1 C1CC(NC1)C#N PB19916 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.1 C1CC(OC1)CN AB00408 [0,1,0,1,0,0|0,0,2]=4 152 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.1 C1CCC(C1)CN AB17884 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.1 C1C[C@@H](NC1)C#N PB20041 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.1 C1C[C@@H](NC1)C#N PB30023 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,1,0,1,0,0|0,0,2]=4 158 B7R1.1 C1C[C@H](NC1)C#N PB29383 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,1,0,1,0,0|1,0,1]=4 161 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,1,0,1,0,0|0,0,2]=4 162 B7R1.1 CCC1CCCN1 AB12042 [0,1,0,1,0,0|1,0,1]=4 163 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [0,1,0,1,0,0|0,0,2]=4 164 B7R1.2 C1C(CNC1=O)N PB17844 [0,1,0,1,0,0|0,0,0]=2 165 B7R1.2 C1CC(CC1N)O PB13684 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,1,0,1,0,0|1,0,1]=4 169 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,1,0,0|0,0,0]=2 170 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,1,0,0|0,0,0]=2 171 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,1,0,1,0,0|0,0,0]=2 172 B7R1.2 CC1=NC(=NC1)N AB27175 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.2 CC1=NC(=NC1)N AB27178 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.2 CC1=NN=C(C1)N PB33812 [0,1,0,1,0,0|1,0,1]=4 175 B7R1.2 CN1CCC(=O)C1 PB26542 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.2 CN1CCC(C1)N PB22385 [0,1,0,1,0,0|1,0,1]=4 177 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,1,0,1,0,0|1,0,1]=4 179 B7R1.3 C1CC(=O)CNC1 AB27650 [0,1,0,1,0,0|0,0,0]=2 180 B7R1.3 C1CC(=O)CNC1 PB26241 [0,1,0,1,0,0|0,0,0]=2 181 B7R1.3 C1CC(=O)COC1 PB27461 [0,1,0,1,0,0|1,0,0]=3 182 B7R1.3 C1CC(=O)CSC1 PB28980 [0,1,0,1,0,0|1,0,0]=3 183 B7R1.3 C1CC(CNC1)F PB33693 [0,1,0,1,0,0|1,0,1]=4 184 B7R1.3 C1CC(CNC1)O PB27381 [0,1,0,1,0,0|0,0,2]=4 185 B7R1.3 C1CC(CNC1)S PB34789 [0,1,0,1,0,0|0,1,1]=4 186 B7R1.3 C1CC(COC1)N PB30901 [0,1,0,1,0,0|0,0,2]=4 187 B7R1.3 C1CCNC(C1)O MB03551 [0,1,0,1,0,0|0,0,2]=4 188 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,1,0,1,0,0|0,0,2]=4 189 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,1,0,1,0,0|0,0,2]=4 190 B7R1.3 C1CNC(=O)CN1 PB23229 [0,1,0,1,0,0|0,0,0]=2 191 B7R1.3 C1CNCCC1=O PB32095 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.3 C1CNCCC1N AB11093 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.3 C1COC(=O)CN1 AB71646 [0,1,0,1,0,0|1,0,0]=3 194 B7R1.3 C1COCC(=O)N1 PB29100 [0,1,0,1,0,0|0,0,0]=2 195 B7R1.3 C1COCC(=S)N1 AB72718 [0,1,0,1,0,0|0,1,0]=3 196 B7R1.3 C1COCC=C1I AB69543 [0,1,0,1,0,0|2,0,0]=4 197 B7R1.3 C1COCCC1=O PB24536 [0,1,0,1,0,0|1,0,0]=3 198 B7R1.3 C1COCCC1N AB11128 [0,1,0,1,0,0|1,0,1]=4 199 B7R1.3 C1COCCC1N PB27421 [0,1,0,1,0,0|1,0,1]=4 200 B7R1.3 C1CSCCC1=O PB25896 [0,1,0,1,0,0|1,0,0]=3 201 B7R1.3 C1CSCCC1N AB32569 [0,1,0,1,0,0|1,0,1]=4 202 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,1,0,1,0,0|1,0,1]=4 203 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,1,0,1,0,0|1,0,1]=4 204 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,1,0,1,0,0|0,0,2]=4 205 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,1,0,1,0,0|1,0,1]=4 206 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,1,0,1,0,0|1,0,1]=4 207 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,1,0,1,0,0|0,0,2]=4 208 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,1,0,1,0,0|0,0,2]=4 209 B7R1.3 CC1CCCNC1 AB00557 [0,1,0,1,0,0|1,0,1]=4 210 B7R1.3 CC1COCCN1 AB49614 [0,1,0,1,0,0|1,0,1]=4 211 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,1,0,1,0,0|1,0,1]=4 212 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,1,0,1,0,0|1,0,1]=4 213 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,1,0,1,0,0|1,0,1]=4 214 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,1,0,1,0,0|1,0,1]=4 215 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,1,0,1,0,0|1,0,1]=4 216 B7R1.3 C[C@H]1COCCN1 AB16412 [0,1,0,1,0,0|1,0,1]=4 217 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,1,0,0|0,0,0]=2 218 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,1,0,0|0,0,0]=2 219 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,1,0,0|0,0,0]=2 220 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,1,0,0|1,0,0]=3 221 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,1,0,1,0,0|0,0,2]=4 222 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,1,0,1,0,0|0,0,2]=4 223 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,1,0,1,0,0|0,0,2]=4 224 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,1,0,1,0,0|0,0,2]=4 225 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.10 C1C(CC1=O)C#N PB12223 [0,1,0,1,0,0|1,0,1]=4 227 B7R1.10 C1C(CC1=O)CBr PB27115 [0,1,0,1,0,0|1,0,0]=3 228 B7R1.10 C1C(CC1=O)CCl PB28331 [0,1,0,1,0,0|1,0,0]=3 229 B7R1.10 C1C(CC1=O)CN PB21511 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.10 C1C(CC1=O)CO PB17805 [0,1,0,1,0,0|1,0,0]=3 231 B7R1.10 C1C(CC1N)CO PB17688 [0,1,0,1,0,0|1,0,1]=4 232 B7R1.10 C1C(CC1N)CO PB21400 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB19477 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB27028 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.10 C1[C@@H](C[C@H]1CO)N PB18381 [0,1,0,1,0,0|1,0,1]=4 236 B7R1.10 C1[C@@H](C[C@H]1CO)N PB34902 [0,1,0,1,0,0|1,0,1]=4 237 B7R1.10 CCN1CC(C1)N PB30345 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.10 COC1CC(C1)N PB11210 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.10 CO[C@H]1C[C@@H](C1)N PB15524 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.10 CO[C@H]1C[C@@H](C1)N PB36079 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.10 CO[C@H]1C[C@H](C1)N PB16800 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.10 CO[C@H]1C[C@H](C1)N PB37429 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.22 C1CC1C(=O)C=O AB62322 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.22 C1CC1C(=O)CBr AB45693 [0,1,0,1,0,0|1,0,0]=3 245 B7R1.22 C1CC1C(=O)NN PB14101 [0,1,0,1,0,0|0,0,0]=2 246 B7R1.25 C1CC(C1)(CO)N PB16437 [0,1,0,1,0,0|0,0,2]=4 247 B7R1.25 CC1(CCC1)CN PB11165 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,1,0,1,0,0|1,0,0]=3 249 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,1,0,1,0,0|1,0,0]=3 250 B7R1.16 C1C(=O)CC1(F)F PB28782 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.16 C1C(CS1(=O)=O)Cl CB10496 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.16 CC1(CC(C1)O)N PB38639 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.16 C[C@]1(C[C@@H](C1)N)O PB37614 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.16 C[C@]1(C[C@@H](C1)O)N PB37848 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.16 C[C@]1(C[C@H](C1)N)O PB38993 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.16 C[C@]1(C[C@H](C1)O)N PB36691 [0,1,0,1,0,0|1,0,1]=4 257 B7R1.20 C1CC1CC(=N)N AB49225 [0,1,0,1,0,0|1,0,0]=3 258 B7R1.20 C1CC1CC(=O)O PB21648 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.18 C1C(CN1)C(=O)N PB14800 [0,1,0,1,0,0|0,0,0]=2 260 B7R1.18 C1C(CN1)C(=O)N PB22567 [0,1,0,1,0,0|0,0,0]=2 261 B7R1.18 C1C(CN1)C(=O)O PB12129 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.18 C1CC(C1)C(=N)N PB21224 [0,1,0,1,0,0|1,0,0]=3 264 B7R1.18 C1CC(C1)[N+](=O)[O-] CB11721 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.18 C1CN(C1)C(=O)O AB16585 [0,1,0,1,0,0|1,0,0]=3 266 B7R1.18 C1CNC1C(=O)N MB03936 [0,1,0,1,0,0|0,0,0]=2 267 B7R1.18 C1CNC1C(=O)O PB12060 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.18 C1COC1C(=O)O PB26385 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.19 C1CC1(C(=O)O)N PB23174 [0,1,0,1,0,0|1,0,0]=3 271 B7R1.14 C1CNS(=O)(=O)C1 PB25181 [0,1,0,1,0,0|1,0,0]=3 272 B7R1.14 C1COS(=O)(=O)N1 PB27333 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.14 CC1(CCCN1)C PB25045 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.14 CC1(CCOC1)N PB13539 [0,1,0,1,0,0|1,0,1]=4 275 B7R2.13 C1CNC2C1C2 PB29591 [0,0,0,2,0,0|1,0,1]=4