0 B6R0.1 C#CC(=O)OCC AM20100525 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C=CC(=O)NCC AMY36703 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C=CC(=O)OCC AMY40211 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CC#CC(=O)OC AMY1234 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.1 CCC(=O)CC#N AMY10591 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCNC(=O)CCl AM802871 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 CCNC(=O)NC AM85700 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CCOC(=O)CBr AM20070701 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CCOC(=O)CC AMY21941 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 CCOC(=O)CN AM81786 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.1 CCOC(=O)NC AMY3767 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 CCOC(=O)NN AMY23328 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.1 CNC(=O)CC#N AM20100565 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CNCC(=O)OC AM82645 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.1 COC(=O)CCBr AMY21872 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 COC(=O)CCN AM20090461 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 COC(=O)CCO AM85845 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 COC(=O)CSC AMY10908 [0,0,0,0,0,0|0,0,0]=0 18 B6R0.1 COC(=O)OCCl AMY37648 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.1 COC(=O)\C=C\I AMY21721 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.1 COCC(=O)NN AMY3068 [0,0,0,0,0,0|2,1,0]=3 21 B6R0.1 COCC(=O)OC AMY4063 [0,0,0,0,0,0|0,1,0]=1 22 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,0,0,0,0,0|1,0,1]=2 23 B6R0.1 N#CCC(=O)NN AMY5330 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.1 O=C(CCl)CCCl AM9592 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 C#CCC(=O)O AMY19285 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 C=C(C)CCBr AMY7022 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 C=CCC(C)=O AMY31929 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CC#CC(=O)Cl AMY41204 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CC#CC(=O)O AM90222 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 CC(=O)CC#N AM86800 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CC(=O)CC#N AMY7035 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CC(=O)CCO AMY31061 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 CC(=O)OCCl AMY28690 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 CC(=O)\C=N\O AM806560 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CCCB(O)O AMY987 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CCCC(=N)N AM802888 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 CCCC(=N)N AMY2389 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 CCCC(C)=O AMY25524 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.1 CCC[C@H](C)N AMY12548 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CCOC(C)=N AM90190 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 CCOC(N)=O AM20100253 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 CCSC(C)=S AM90236 [1,0,0,0,0,0|2,1,0]=4 43 B5R0.1 CNCC(=O)O AM20080021 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 CNCC(C)=O AM806508 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.1 CNCC(N)=O AM82642 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 COCC(=N)N AM20120573 [1,0,0,0,0,0|2,1,0]=4 47 B5R0.1 COCC(=O)Cl AMY40728 [1,0,0,0,0,0|1,1,0]=3 48 B5R0.1 COCC(=O)O AMY4059 [1,0,0,0,0,0|0,1,0]=2 49 B5R0.1 COC[C@@H](C)N AMY19545 [1,0,0,0,0,0|1,1,1]=4 50 B5R0.1 COC[C@H](C)O AM20100219 [1,0,0,0,0,0|0,1,2]=4 51 B5R0.1 CSCC(N)=O AMY10906 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.1 C\C=C\C(=O)O AMY11255 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.1 N#CCC(N)=O AM20080019 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 NCCC(=O)O AM20080020 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 NCCC(=O)O AMY22128 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 NCCC(N)=O AM20100576 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 NCCC(N)=O AMY6958 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 NNCC(=O)O AMY202100023 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 NOCC(=O)O AMY19484 [1,0,0,0,0,0|1,1,0]=3 61 B5R0.1 O=C(Cl)CCBr AM90184 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 O=C(O)CCBr AM20100434 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 O=C(O)CCF AM803932 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 O=C(O)CCO AM85796 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 O=C(O)CCS AMY27767 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 O=C(O)\C=C/I AMY22685 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 O=C(O)\C=C\I AM806037 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 CCCCCC AMY22305 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 CCCNCC AMY13343 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.2 CNCCNC AM86300 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.2 COCCC#N AMY40960 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.2 COCCCBr AM20090592 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.2 COCCCCl AMY25654 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.2 COCCCN AMY21871 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.2 COCCCN AMY38449 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.2 COCCCO AM20080231 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.2 COCCNN AM803665 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.2 COCCNN AMY202003278 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.2 COCCOC AMY25530 [1,0,0,0,0,0|0,1,1]=3 80 B5R0.2 COCCON AMY27642 [1,0,0,0,0,0|1,1,1]=4 81 B5R0.2 CSCCCCl AMY744 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.2 CSSSSC AM806645 [1,0,0,0,0,0|2,1,0]=4 83 B5R0.3 C#CC(=O)OC AMY7053 [1,0,0,0,0,0|0,0,2]=3 84 B5R0.3 C=CC(=O)CBr AMY31126 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.3 CCC(=O)CC AMY11060 [1,0,0,0,0,0|1,0,0]=2 86 B5R0.3 CCC(=O)OC AMY21940 [1,0,0,0,0,0|0,0,0]=1 87 B5R0.3 CCC(N)CC AMY4054 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.3 CCN(C)CC AMY13336 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.3 CCN(O)CC AMY25658 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.3 CC\C(C)=N\O AM90385 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.3 CNC(=O)NN AMY42564 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.3 COC(=O)C=O AMY1633 [1,0,0,0,0,0|0,1,1]=3 93 B5R0.3 COC(=O)CF AM20100155 [1,0,0,0,0,0|1,0,0]=2 94 B5R0.3 COC(=O)CN AM81785 [1,0,0,0,0,0|1,0,0]=2 95 B5R0.3 COC(=O)OC AMY37165 [1,0,0,0,0,0|0,1,0]=2 96 B5R0.3 COS(=O)OC AMY18046 [1,0,0,0,0,0|1,1,0]=3 97 B5R0.3 CO[C@@H](C)CN AMY21775 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.3 NNC(=O)CCl AMY39922 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.3 NNC(=O)CO AM803763 [1,0,0,0,0,0|2,1,0]=4 100 B5R0.3 O=C(CBr)CBr AM85919 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.3 O=C(CO)CBr AMY19754 [1,0,0,0,0,0|2,1,0]=4 102 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.2 CN(C)CC(=O)NN AM20120575 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.2 COC(=O)CC(=O)Cl AM90205 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.2 COC(=O)CC(=O)[O-] AMY3708 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.2 COC(=O)CC(=O)[O-] AMY3965 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.2 COC(=O)C[N+](=O)[O-] AM86803 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.2 COC(=O)\C=C(\C)F AMY36917 [0,1,0,0,0,0|1,0,1]=3 114 B7R0.2 COC(=O)\C=C(\C)N AM20080319 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.3 C=CC(=O)NCCC AMY39214 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.3 CCCCC(=O)NN AMY3964 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.3 CCCOC(=O)CC AMY21939 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.3 CNCCC(=O)OC AMY4326 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.3 COC(=O)CCC=O AM20080287 [0,1,0,0,0,0|1,0,1]=3 120 B7R0.3 COC(=O)CCCN AM803145 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.3 COC(=O)CCCS AMY40461 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.3 COC(=O)\C=C\C#N AMY6967 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.3 COC(=O)\C=C\CBr AMY14793 [0,1,0,0,0,0|1,0,1]=3 124 B7R0.3 CO\C=C\C(=O)OC AMY18381 [0,1,0,0,0,0|0,1,1]=3 125 B7R0.3 [C-]#[N+]CCC(=O)OC AMY21714 [0,1,0,0,0,0|1,0,1]=3 126 B7R0.5 CC(C)C(=O)CC#N AM20090390 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.5 CCCC(=O)C(=O)O AMY6081 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.5 CCOC(=O)C(C)=O AMY40824 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.5 CCOC(=O)N(C)C AMY39284 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.5 CN(C)C(=O)CC#N AMY38498 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.7 C=C(OCC)OCC AM9861 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.7 C=CCC(=O)OCC AMY30553 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.7 CC#CC(=O)OCC AM86969 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.7 CCCC(=O)CCC AMY3807 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.7 CCNC(=O)NCC AMY25735 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.7 CCOC(=O)CC=O AMY18659 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.7 CCOC(=O)CCN AM803889 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.7 CCOC(=O)CCO AMY20483 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.7 CCOC(=O)CNC AM82644 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.7 CCOC(=O)CNC AMY3815 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.7 CCOC(=O)CNN AM20100649 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.7 CCOC(=O)COC AMY3969 [0,1,0,0,0,0|0,1,0]=2 148 B7R0.7 CCOC(=O)CSC AMY33462 [0,1,0,0,0,0|0,0,0]=1 149 B7R0.7 CCOC(=O)N=C=O AMY771 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.7 CCOC(=O)N=C=S AMY10862 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.7 CCOC(=O)OCC AMY11101 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.7 CCOC(=O)OCCl AMY14438 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.7 CCOC(=O)\C=C/N AM87196 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.7 CCOC(=O)\C=C\I AM805822 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.7 CCOS(=O)OCC AMY17996 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.7 COCC(O)COC AMY25050 [0,1,0,0,0,0|0,1,2]=4 158 B7R0.7 O=C(CCCl)CCCl AMY9352 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.7 [C-]#[N+]CC(=O)OCC AMY403 [0,1,0,0,0,0|1,0,1]=3 160 B7R0.10 C=C(CBr)C(=O)OC AM20120603 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.10 C=C(CCl)C(=O)OC AM20120602 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.10 C=C(CO)C(=O)OC AM20120617 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.10 CCC(=O)N(C)OC AM90011 [0,1,0,0,0,0|2,1,0]=4 164 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [0,1,0,0,0,0|1,0,0]=2 165 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [0,1,0,0,0,0|1,0,0]=2 166 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [0,1,0,0,0,0|1,0,0]=2 167 B7R0.10 CNC(=O)[C@@H](N)CO AM86003 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.10 CN[C@@H](C)C(=O)OC AM9231 [0,1,0,0,0,0|1,0,0]=2 169 B7R0.10 CN[C@@H](C)C(=O)OC AM9301 [0,1,0,0,0,0|1,0,0]=2 170 B7R0.10 COC(=O)C(=O)CBr AMY30900 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.10 COC(=O)C(=O)OC AMY37133 [0,1,0,0,0,0|0,1,1]=3 172 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [0,1,0,0,0,0|2,0,0]=3 173 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [0,1,0,0,0,0|2,0,0]=3 175 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.10 COC(=O)[C@@H](N)CS AM20090085 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.10 COC(=O)[C@@H](N)CS AM20100664 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.10 COC(=O)[C@H](C)C#N AMY3838 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [0,1,0,0,0,0|2,0,0]=3 185 B7R0.10 COC(=O)[C@H](C)OC AMY37763 [0,1,0,0,0,0|0,1,0]=2 186 B7R0.11 CCCS(=O)(=O)OC AMY7723 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.12 CNCC(OC)OC AMY41272 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.12 COCC(OC)OC AM20080585 [0,1,0,0,0,0|0,1,2]=4 189 B7R1.1 COC1=CSC=C1 AMY23252 [0,0,0,1,0,0|1,0,2]=4 190 B7R1.1 COC1=NCCN1 AMY792 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.2 CC1=NC(=O)ON1 AM20080700 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.3 C=C1CCCCC1 AMY736 [0,0,0,1,0,0|3,0,0]=4 218 B7R1.3 C=C1CCCOC1 AMY6008 [0,0,0,1,0,0|2,1,0]=4 219 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.3 O=C1C=CCCN1 AMY9701 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,0,1,0,0|1,1,1]=4 227 B7R1.3 O=C1CCCCN1 AM20100626 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.3 O=C1CCCNC1 AM81341 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.3 O=C1CCCOC1 AM20090251 [0,0,0,1,0,0|1,1,0]=3 231 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.3 O=C1CCNCC1 AM100807 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.3 O=C1CCNCC1 AM20100060 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.3 O=C1CCNCC1 AM803879 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.3 O=C1CCOCC1 AM20090400 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.3 O=C1CCSCC1 AM20080026 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.3 O=C1CNCCN1 AM20100386 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.3 O=C1CNCCO1 AM62713 [0,0,0,1,0,0|1,0,0]=2 239 B7R1.3 O=C1COCCN1 AM20080044 [0,0,0,1,0,0|1,1,0]=3 240 B7R1.3 O=C1CSCCN1 AMY10805 [0,0,0,1,0,0|1,0,0]=2 241 B7R1.3 O=C1NCCCN1 AM90187 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.3 O=C1NCCCO1 AMY19041 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,0,0,1,0,0|1,0,2]=4 244 B7R1.3 S=C1COCCN1 AMY10049 [0,0,0,1,0,0|1,2,0]=4 245 B7R1.4 CN1CCCC1=O AM20110252 [0,0,0,1,0,0|2,0,0]=3 246 B7R1.4 CN1N=CCC1=O AMY11892 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,0,0,1,0,0|3,0,0]=4 248 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.4 NN1CCCC1=O AM84704 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.4 O=C1CCCC1=O AMY23435 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,0,0,1,0,0|3,0,0]=4 253 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.22 COC(=O)C1CC1 AM20090368 [0,0,0,1,0,0|1,0,0]=2 255 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [0,0,0,1,0,0|1,0,0]=2 256 B7R1.22 COC(=O)[C@@H]1CO1 AMY42223 [0,0,0,1,0,0|0,1,0]=2 257 B7R1.22 COC(=O)[C@H]1CO1 AMY31968 [0,0,0,1,0,0|0,1,0]=2 258 B7R1.22 NNC(=O)C1CC1 AM20100651 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.22 O=C(CBr)C1CC1 AM87146 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.22 O=CC(=O)C1CC1 AM87069 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.25 COC1(C)CNC1 AM20110261 [0,0,0,1,0,0|2,0,1]=4 262 B4R0.1 C#CC(=O)O AMY7000 [2,0,0,0,0,0|0,0,2]=4 263 B4R0.1 C=C(C)CBr AM85592 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 C=C(C)CN AMY13356 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.1 CC(=O)C#N AMY39183 [2,0,0,0,0,0|1,0,1]=4 266 B4R0.1 CC(=O)CBr AM85840 [2,0,0,0,0,0|1,0,0]=3 267 B4R0.1 CC(=O)CN AMY15017 [2,0,0,0,0,0|1,0,0]=3 268 B4R0.1 CC(=O)CN AMY25062 [2,0,0,0,0,0|1,0,0]=3 269 B4R0.1 CC(=O)NN AM20080014 [2,0,0,0,0,0|2,0,0]=4 270 B4R0.1 CC(=O)NO AM20100343 [2,0,0,0,0,0|1,1,0]=4 271 B4R0.1 CCB(O)O AM80871 [2,0,0,0,0,0|1,0,1]=4 272 B4R0.1 CCC(=N)N AM803843 [2,0,0,0,0,0|2,0,0]=4 273 B4R0.1 CCC(=O)Cl AMY4112 [2,0,0,0,0,0|1,0,0]=3 274 B4R0.1 CCC(=O)O AMY4114 [2,0,0,0,0,0|0,0,0]=2 275 B4R0.1 CCC(=O)[O-] AMY22300 [2,0,0,0,0,0|0,0,1]=3 276 B4R0.1 CCC(=O)[O-] AMY37013 [2,0,0,0,0,0|0,0,1]=3 277 B4R0.1 CCC(C)[O-] AMY22246 [2,0,0,0,0,0|0,0,2]=4 278 B4R0.1 CCC(N)=S AMY39288 [2,0,0,0,0,0|1,1,0]=4 279 B4R0.1 CCN(C)C AMY13339 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 CC[C@H](C)O AMY11001 [2,0,0,0,0,0|0,0,2]=4 281 B4R0.1 CC[S@](=O)[O-] AMY15674 [2,0,0,0,0,0|1,0,1]=4 282 B4R0.1 CNC(C)=O AMY4115 [2,0,0,0,0,0|1,0,0]=3 283 B4R0.1 CNC(N)=O AMY40217 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.1 COC(=N)N AM85805 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.1 COC(=N)N AMY8981 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.1 COC(N)=O AMY4044 [2,0,0,0,0,0|1,0,0]=3 287 B4R0.1 CSC(=N)N AMY22236 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.1 CSC(=N)N AMY304 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.1 NC(=O)CBr AM85872 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.1 NC(=O)CCl AMY4113 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.1 NCC(=O)O AM81781 [2,0,0,0,0,0|1,0,0]=3 292 B4R0.1 NCC(=O)[O-] AMY37022 [2,0,0,0,0,0|1,0,1]=4 293 B4R0.1 NCC(N)=O AM20080473 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.1 NCC(N)=O AMY20517 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.1 NCC(N)=O AMY22705 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.1 O=C(Br)CBr AMY21867 [2,0,0,0,0,0|2,0,0]=4 297 B4R0.1 O=C(Cl)CBr AMY13645 [2,0,0,0,0,0|2,0,0]=4 298 B4R0.1 O=C(Cl)CCl AMY40193 [2,0,0,0,0,0|2,0,0]=4 299 B4R0.1 O=C([O-])CS AMY25320 [2,0,0,0,0,0|0,0,1]=3 300 B4R0.1 O=CC(=O)O AMY40947 [2,0,0,0,0,0|0,1,1]=4 301 B4R0.1 [Li][C@@H](C)CC AMY14890 [2,0,0,0,0,0|1,0,1]=4 302 B4R0.2 C#CCOC AMY1246 [2,0,0,0,0,0|1,0,1]=4 303 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,1]=4 304 B4R0.2 C=CCOC AM20100534 [2,0,0,0,0,0|0,1,1]=4 305 B4R0.2 CCNCC AMY25752 [2,0,0,0,0,0|2,0,0]=4 306 B4R0.2 CCPCC AMY11725 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.2 CC\C=C\Br AMY796 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.2 CNCCO AMY32697 [2,0,0,0,0,0|1,0,1]=4 309 B4R0.2 COCCCl AMY25739 [2,0,0,0,0,0|1,0,1]=4 310 B4R0.2 COCCN AM808206 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.2 CSCCCl AMY15533 [2,0,0,0,0,0|1,0,1]=4 312 B4R0.2 CSCCN AMY33509 [2,0,0,0,0,0|1,0,1]=4 313 B4R0.2 CSCCO AMY19250 [2,0,0,0,0,0|0,0,1]=3 314 B4R0.2 C\C=C\CCl AMY618 [2,0,0,0,0,0|2,0,0]=4 315 B4R0.2 C\C=C\CO AMY21936 [2,0,0,0,0,0|1,1,0]=4 316 B6R0.2 CC(=O)C=C(C)C AMY23356 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.2 CC(=O)CC(C)C AMY11098 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.2 CC(=O)NC(C)C AMY3785 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.2 CC(C)CC(=O)O AMY40214 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.2 CN(C)CC(=O)O AM20080064 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.2 CN(C)CC(=O)O AM81799 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [1,1,0,0,0,0|1,0,0]=3 331 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.2 C[C@H](N)CC(=O)O AM804090 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [1,1,0,0,0,0|1,0,0]=3 336 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [1,1,0,0,0,0|1,0,0]=3 337 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [1,1,0,0,0,0|0,0,2]=4 341 B6R0.2 O=C(O)CC(=O)O AMY11201 [1,1,0,0,0,0|2,0,0]=4 342 B6R0.2 O=C(O)CC(F)F AMY6157 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [1,1,0,0,0,0|2,0,0]=4 344 B6R0.3 CCC(=O)C(=O)O AM90224 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.3 CCC(=O)C(C)=O AMY4046 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.3 CCN(O)C(C)=O AMY33549 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.3 CC[C@H](C)C(=O)O AM802977 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [1,1,0,0,0,0|1,0,0]=3 357 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [1,1,0,0,0,0|1,0,0]=3 359 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.3 COC(=O)C(C)=O AMY40825 [1,1,0,0,0,0|0,1,1]=4 363 B6R0.3 CON(C)C(C)=O AM1188 [1,1,0,0,0,0|1,1,0]=4 364 B6R0.3 CO[C@H](C)C(=O)O AM84813 [1,1,0,0,0,0|0,1,0]=3 365 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [1,1,0,0,0,0|2,0,0]=4 367 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [1,1,0,0,0,0|2,0,0]=4 372 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.3 NC[C@H](O)C(=O)O AM1113 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.3 NC[C@H](O)C(=O)O AM82574 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.4 C#CCOC(C)=O AM90264 [1,1,0,0,0,0|1,0,1]=4 388 B6R0.4 C=CCCC(=O)O AMY12553 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.4 C=CCCC(C)=O AM84335 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.4 C=CCOC(C)=O AMY22115 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.4 C=CNCC(=O)O AMY22733 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.4 CC(=O)NCCN AMY40665 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.4 CCCCC(=O)[O-] AMY026 [1,1,0,0,0,0|1,0,1]=4 394 B6R0.4 CCCOC(=O)Cl AMY3779 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.4 CCOCC(=O)O AMY4062 [1,1,0,0,0,0|0,1,0]=3 396 B6R0.4 CCSCC(=O)O AM20100532 [1,1,0,0,0,0|0,0,0]=2 397 B6R0.4 CNCCC(=O)O AM84855 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.4 COCCC(=O)O AMY2689 [1,1,0,0,0,0|0,1,0]=3 399 B6R0.4 NCCCC(=O)O AM20100372 [1,1,0,0,0,0|1,0,0]=3 400 B6R0.4 NCCCC(N)=O AMY15220 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.4 O=C(Cl)CCCCl AMY25684 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.4 O=C(O)CCCS AM20080221 [1,1,0,0,0,0|1,0,0]=3 403 B6R0.4 O=C(O)\C=C\CBr AMY7050 [1,1,0,0,0,0|1,0,1]=4 404 B6R0.6 COCCCCBr AMY9376 [1,1,0,0,0,0|1,0,1]=4 405 B6R0.6 COCCCCO AM20080057 [1,1,0,0,0,0|1,0,1]=4 406 B6R0.6 C\C=C\CCCO AMY2616 [1,1,0,0,0,0|2,0,0]=4 407 B6R0.8 COP(=O)(S)OC AM84934 [1,1,0,0,0,0|1,1,0]=4 408 B6R0.8 COS(=O)(=O)OC AMY40210 [1,1,0,0,0,0|1,1,0]=4 409 B8R0.2 COC(=O)[C@@H](Br)C(C)=O AM85319 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.2 COC(=O)[C@@H](Br)C(C)C AM20090325 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100385 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100557 [0,2,0,0,0,0|1,0,0]=3 413 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100674 [0,2,0,0,0,0|1,0,0]=3 414 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O AM82244 [0,2,0,0,0,0|1,0,0]=3 415 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY16025 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY31877 [0,2,0,0,0,0|1,0,0]=3 417 B8R0.2 COC(=O)[C@H](O)C(C)C AMY16017 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.5 CC(C)OC(=O)OCCl AM20090681 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.5 CCOC(=O)CC(=N)N AM803971 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.5 CCOC(=O)CC(=N)N AMY16018 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.5 CCOC(=O)CC(=O)Cl AM90203 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.5 CCOC(=O)CC(=O)O AMY3657 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.5 CCOC(=O)CC(=O)[O-] AMY4053 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.5 CCOC(=O)CC(N)=O AMY2619 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.5 CCOC(=O)CN(C)C AMY3944 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.5 CCOC(=O)C[C@H](C)Br AM9919 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.5 CCOC(=O)C[C@H](C)N AMY314 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.5 COCC(=O)OC(C)C AMY3876 [0,2,0,0,0,0|0,1,0]=3 429 B8R0.16 CO\C(C=O)=C/N(C)C AM20080541 [0,2,0,0,0,0|1,0,1]=4 430 B8R0.19 CCC(=O)CC(=O)CC AMY8840 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.19 CCC(=O)CC(=O)OC AMY21932 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [0,2,0,0,0,0|1,0,0]=3 433 B8R0.19 COC(=N)CC(=O)OC AMY31003 [0,2,0,0,0,0|0,1,0]=3 434 B8R0.19 COC(=O)CC(=O)OC AMY10014 [0,2,0,0,0,0|0,1,0]=3 435 B8R0.19 COC(=O)\C=C(/C)C=O AMY39195 [0,2,0,0,0,0|1,0,1]=4 436 B8R0.24 CNC(=O)CS(C)(=O)=O AMY20605 [0,2,0,0,0,0|1,0,1]=4 437 B8R0.24 COC(=O)CC(F)(F)F AMY6839 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.24 COC(=O)CS(=O)(=O)Cl AMY9143 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.24 COC(=O)CS(C)(=O)=O AM1105 [0,2,0,0,0,0|0,0,1]=3 440 B8R0.1 C=CCCC(=O)OCC AMY3888 [0,2,0,0,0,0|1,0,1]=4 441 B8R0.1 CCC#CC(=O)OCC AMY1274 [0,2,0,0,0,0|1,0,1]=4 442 B8R0.1 CCOC(=O)CCCBr AM84904 [0,2,0,0,0,0|1,0,0]=3 443 B8R0.1 CCOC(=O)CCCN AM808169 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.1 CCOC(=O)CCCO AMY4323 [0,2,0,0,0,0|1,0,0]=3 445 B8R0.1 CCOC(=O)CN=C=O AMY3222 [0,2,0,0,0,0|1,0,1]=4 446 B8R0.1 CCOC(=O)CNC=O AM20090452 [0,2,0,0,0,0|1,0,1]=4 447 B8R0.1 CCOC(=O)\C=C\CBr AMF0008 [0,2,0,0,0,0|1,0,1]=4 448 B8R0.1 CCOCC(=O)OCC AMY4116 [0,2,0,0,0,0|0,1,0]=3 449 B8R0.3 CCCC(=O)N(C)OC AM90018 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.3 CCN[C@@H](C)C(=O)OC AM20120635 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [0,2,0,0,0,0|1,0,1]=4 453 B8R0.3 CCOC(=O)C(N)C#N AM807974 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.3 CCOC(=O)[C@@H](Br)CBr AMY25656 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.3 CCOC(=O)[C@@H](C)CN AMY13618 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.3 CCOC(=O)[C@@H](Cl)C=O AMY10622 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.3 CCOC(=O)[C@@H](N)CO AM82214 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.3 CCOC(=O)[C@@H](N)CO AM82215 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.3 CCOC(=O)[C@@H](N)CS AM20110240 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.3 CCOC(=O)[C@H](C)NC AM8903 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.3 COC(=O)[C@@H](Br)CCBr AMY30914 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.6 CCNCCC(=O)OC AMY20543 [0,2,0,0,0,0|1,0,0]=3 463 B8R0.6 COC(=O)CCCCBr AM20120637 [0,2,0,0,0,0|1,0,0]=3 464 B8R0.6 COC(=O)CCN=C=O AMY6679 [0,2,0,0,0,0|1,0,1]=4 465 B8R0.8 C=C(C)C(=O)NCOC AMY11203 [0,2,0,0,0,0|1,1,0]=4 466 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.9 CCC(=O)COC(C)=O AM20080565 [0,2,0,0,0,0|1,1,0]=4 468 B8R0.9 COC(=O)CCC(=O)O AM20100028 [0,2,0,0,0,0|1,0,1]=4 469 B8R0.9 COC(=O)CCC(=O)[O-] AMY4106 [0,2,0,0,0,0|1,0,1]=4 470 B8R0.9 COC(=O)CCN(C)C AM807052 [0,2,0,0,0,0|1,0,0]=3 471 B8R0.13 COC(=O)C(C)(C)CN AMY19450 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.13 COC(=O)C(C)(C)CN AMY19451 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.13 COC(=O)C(F)(F)CBr AMY18660 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.20 CC[C@H](NC)C(=O)OC AM9125 [0,2,0,0,0,0|1,0,0]=3 475 B8R0.20 CN[C@@H](CO)C(=O)OC AM8885 [0,2,0,0,0,0|1,0,0]=3 476 B8R0.20 COC(=O)C(OC)OC AM20120283 [0,2,0,0,0,0|0,1,0]=3 477 B6R1.2 C=C1CCOC1 AMY6014 [1,0,0,1,0,0|1,1,0]=4 478 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,1,0,0|2,0,0]=4 479 B6R1.2 CC1=NCCC1 AMY886 [1,0,0,1,0,0|2,0,0]=4 480 B6R1.2 N=C1CCCC1 AMY39966 [1,0,0,1,0,0|2,0,0]=4 481 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,1,0,0|1,0,1]=4 482 B6R1.2 O=C1C=CCO1 AM20100212 [1,0,0,1,0,0|1,0,1]=4 483 B6R1.2 O=C1CCCC1 AMY37126 [1,0,0,1,0,0|1,0,0]=3 484 B6R1.2 O=C1CCCN1 AMY25506 [1,0,0,1,0,0|2,0,0]=4 485 B6R1.2 O=C1CCNC1 AM20120384 [1,0,0,1,0,0|1,0,0]=3 486 B6R1.2 O=C1CCNC1 AMY6183 [1,0,0,1,0,0|1,0,0]=3 487 B6R1.2 O=C1CCNN1 AMY39277 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.2 O=C1CCOC1 AM20090235 [1,0,0,1,0,0|0,1,0]=3 489 B6R1.2 O=C1CCSC1 AMY23378 [1,0,0,1,0,0|0,0,0]=2 490 B6R1.2 O=C1CNCN1 AM84594 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.2 O=C1NCCO1 AMY39498 [1,0,0,1,0,0|2,0,0]=4 492 B6R1.2 O[C@H]1CCSC1 AM20090505 [1,0,0,1,0,0|0,0,2]=4 493 B6R1.5 CC1CC(=O)C1 AM806996 [1,0,0,1,0,0|1,0,0]=3 494 B6R1.5 NC1CC(=O)C1 AM20070559 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.5 O=C1CC(O)C1 AMY33736 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.11 CC(=O)C1CC1 AM83286 [1,0,0,1,0,0|1,0,0]=3 497 B6R1.11 NC(=O)C1CC1 AM20100524 [1,0,0,1,0,0|2,0,0]=4 498 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [1,0,0,1,0,0|2,0,0]=4 499 B6R1.11 O=C(Cl)C1CC1 AMY3975 [1,0,0,1,0,0|2,0,0]=4 500 B6R1.11 O=C(O)C1CC1 AM83282 [1,0,0,1,0,0|1,0,0]=3 501 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [1,0,0,1,0,0|0,1,1]=4 502 B6R1.1 C1=CCCCC1 AMY17792 [1,0,0,1,0,0|2,0,0]=4 503 B6R1.1 C1=CCNCC1 AMY5955 [1,0,0,1,0,0|2,0,0]=4 504 B6R1.1 C1=CCOCC1 AM9907 [1,0,0,1,0,0|1,1,0]=4 505 B6R1.1 C1=CCSCC1 AMY37369 [1,0,0,1,0,0|1,0,0]=3 506 B6R1.1 C1=COCCC1 AMY39440 [1,0,0,1,0,0|1,0,1]=4 507 B6R1.1 C1CCOCC1 AMY8873 [1,0,0,1,0,0|1,0,1]=4 508 B6R1.1 C1CCONC1 AM804032 [1,0,0,1,0,0|2,0,0]=4 509 B6R1.1 C1CCONC1 AMY42463 [1,0,0,1,0,0|2,0,0]=4 510 B6R1.1 C1COCCN1 AMY14878 [1,0,0,1,0,0|1,0,1]=4 511 B6R1.1 C1COCCN1 AMY22834 [1,0,0,1,0,0|1,0,1]=4 512 B6R1.1 C1COCCN1 AMY721 [1,0,0,1,0,0|1,0,1]=4 513 B6R1.1 C1COCCO1 AMY33329 [1,0,0,1,0,0|0,1,1]=4 514 B6R1.1 C1CSCCN1 AM807014 [1,0,0,1,0,0|1,0,1]=4 515 B6R1.1 C1CSCCO1 AMY25585 [1,0,0,1,0,0|0,0,1]=3 516 B6R1.6 CNC1COC1 AM20020057 [1,0,0,1,0,0|1,0,1]=4 517 B6R1.6 CNC1COC1 AMY5742 [1,0,0,1,0,0|1,0,1]=4 518 B6R1.6 COC1CNC1 AM20080370 [1,0,0,1,0,0|1,0,1]=4 519 B6R1.6 COC1CNC1 AMY33741 [1,0,0,1,0,0|1,0,1]=4 520 B6R1.6 CSC1CNC1 AM20080315 [1,0,0,1,0,0|1,0,1]=4 521 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.1 O=C1C=C(CBr)CO1 AMY20313 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.18 CC1=CC(=O)O[C@@H]1O AMY11083 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.18 CN1C[C@@H](N)CC1=O AMY34923 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.40 COC(=O)CC1CC1 AMY34208 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.51 CC1(C)COC(=O)N1 AMY3917 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.2 COC1=CCOCC1 AMY33855 [0,1,0,1,0,0|1,1,0]=4 553 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.2 O=CC1=CCCOC1 AM803164 [0,1,0,1,0,0|1,1,0]=4 555 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.5 CN1CCNCC1=O AM20100457 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.5 CN1CCNCC1=O AMY39473 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,1,0,1,0,0|1,1,0]=4 573 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.5 O=C1CCCCC1=O AM20070526 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.22 O=C1CCCCCC1 AMY3995 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.22 O=C1CCCCCN1 AM802872 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.22 O=C1CCCNCC1 AM20100232 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.22 O=C1CCNCCN1 AM20090172 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.22 O=C1CCNCCN1 AM85736 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.22 O=C1CNCCCN1 AM804637 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.38 CNC(=O)C1CCC1 AMY32244 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.38 COC(=O)C1CCC1 AM20070621 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.38 COC(=O)C1CNC1 AM20070638 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.38 COC(=O)C1CNC1 AMY4957 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.38 COC(=O)[C@@H]1CCN1 AMY38525 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.38 COC(=O)[C@@H]1CCN1 AMY6585 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.38 COC(=O)[C@H]1CCN1 AMY38522 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.50 CN1CC[C@H](N)C1=O AMY15163 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O AMY41888 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.50 O=C1COC(=O)[C@H]1Br AM807274 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.19 CC1(C)CCCC1=O AMY25679 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.37 CCOC(=O)C1CC1 AMY3988 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.37 CCOC(=O)[C@@H]1CO1 AMY5207 [0,1,0,1,0,0|0,1,0]=3 601 B8R1.37 CCOC(=O)[C@H]1CO1 AMY31967 [0,1,0,1,0,0|0,1,0]=3 602 B8R1.54 C[C@H](Br)C(=O)C1CC1 AMY34721 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.11 N#C[C@H]1COCC1=O AMY23756 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.11 N#C[C@H]1CSCC1=O AMY10953 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.39 COC(=O)C1(Br)CC1 AMY18857 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.39 COC(=O)C1(N)CC1 AM804291 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.39 COC(=O)C1(N)CC1 AMY40707 [0,1,0,1,0,0|1,0,0]=3 608 B8R1.39 COC(=O)C1(O)CC1 AM85732 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.60 COC1(OC)CSC1 AMY32096 [0,1,0,1,0,0|0,0,2]=4 610 B8R2.19 O=C1CCC12CC2 AMY35720 [0,0,0,2,0,0|2,0,0]=4