0 B6R0.1 C(CN)C(CN)O CUR-0122282 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CC(CCN)OC CUR-0122797 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CC(CSC)NC CUR-0022342 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCCC(C)C=O CUR-0101597 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.1 CCOC(=O)C=C CUR-0027721 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCOC(=O)C=O CUR-0101612 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 C(CBr)C(=O)O CUR-0102453 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 C(CCl)C(=O)O CUR-0008480 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 C(CN)C(=O)O CUR-0006907 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 C(CS)C(=O)O CUR-0101651 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CC(=O)COC CUR-0101516 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 CC(C)CC#N CUR-0101228 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 CC(C)CC=O CUR-0101502 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CC(C)CCBr CUR-0002757 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CC(C)CCN CUR-0101511 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CC(C)CCO CUR-0003416 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CC(C)CNN CUR-0001046 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(CCO)O CUR-0003759 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CC(COC)N CUR-0101532 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(CSC)N CUR-0019523 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CCCC(=O)C CUR-0026599 [1,0,0,0,0,0|0,0,1]=2 23 B5R0.1 CCCC(=O)Cl CUR-0020308 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 CCCC(=O)O CUR-0020198 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CCCC(C)O CUR-0023615 [1,0,0,0,0,0|0,0,1]=2 26 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CCOC(=O)C CUR-0101519 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CCOC(=O)Cl CUR-0026181 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CCOC(=O)N CUR-0100824 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CN(C)CCCl CUR-0017041 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CN(C)CCN CUR-0101525 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CN(C)CCO CUR-0019188 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CNCC(=O)O CUR-0018005 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 COCC(=O)Cl CUR-0101665 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 COCC(=O)O CUR-0014449 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CSCC(=O)O CUR-0025987 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 C#CCCCO CUR-0101486 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 C(CC#N)CCl CUR-0000109 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 C(CC#N)CO CUR-0020823 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.2 C(CCBr)CBr CUR-0026189 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 C(CCBr)CCl CUR-0000065 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 C(CCCl)CO CUR-0025105 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.2 C(CCN)CN CUR-0016745 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 C(CCO)CO CUR-0024794 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.2 C(CCS)CN CUR-0119579 [1,0,0,0,0,0|1,1,1]=4 46 B5R0.2 C(CCl)N=C=O CUR-0029062 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 C=CCCCN CUR-0089890 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 CCCCC#N CUR-0002776 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.2 CCCCC=O CUR-0020580 [1,0,0,0,0,0|0,0,0]=1 50 B5R0.2 CCCCCBr CUR-0020920 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.2 CCCCCI CUR-0007389 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.2 CCCCCN CUR-0101510 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.2 CCCCCO CUR-0018736 [1,0,0,0,0,0|0,0,2]=3 54 B5R0.2 CCCCNC CUR-0101509 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.2 CCCN=C=O CUR-0101493 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.2 CCNCCCl CUR-0137711 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 CCNCCO CUR-0101534 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.2 CCOCCBr CUR-0026041 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 CCOCCO CUR-0010841 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.2 CCO\C=C\C CUR-0101289 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 CNCCC#C CUR-0041404 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.2 CNCCC#N CUR-0024199 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.2 CNCCCN CUR-0101524 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 CNCCNC CUR-0001888 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.2 CNCCOC CUR-0101531 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.2 COCCC#N CUR-0101494 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 COCCCN CUR-0101530 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 COCCNN CUR-0018740 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.2 COCCOC CUR-0026380 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.3 CC(CO)CO CUR-0101538 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.3 CCC(C)CO CUR-0101523 [1,0,0,0,0,0|0,0,2]=3 72 B5R0.3 CCC(C)NN CUR-0004060 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.3 CCC(CC)Br CUR-0020873 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 CCC(CO)N CUR-0101528 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.3 CCOCC(CN)O CUR-0096148 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.5 CCCC(C)C(C)N CUR-0034233 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.5 CCOC(=O)C(=O)C CUR-0021376 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.5 CCOC(=O)C(=O)Cl CUR-0102081 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 CCOC(=O)C(=O)N CUR-0013418 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.7 CC(COC)N=C=O CUR-0098998 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.7 CCOC(C)OCC CUR-0008227 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.11 CC(CN)(COC)O CUR-0010743 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.11 CC(CSC)(C#N)N CUR-0120956 [0,1,0,0,0,0|2,0,1]=4 87 B7R1.1 C1CC(OC1)CBr CUR-0102737 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.1 C1CC(OC1)CCl CUR-0000752 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.1 C1CC(OC1)CN CUR-0022405 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.1 C1CC(OC1)CO CUR-0021816 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.1 C1CCC(C1)C#N CUR-0101264 [0,0,0,1,0,0|1,0,1]=3 92 B7R1.1 C1CCC(C1)CBr CUR-0005007 [0,0,0,1,0,0|1,0,1]=3 93 B7R1.1 C1CCC(C1)CN CUR-0013562 [0,0,0,1,0,0|1,0,1]=3 94 B7R1.1 C1CCC(C1)CO CUR-0114427 [0,0,0,1,0,0|0,0,2]=3 95 B7R1.1 C1CCC(C1)NN CUR-0100745 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.1 C1CCN(C1)C=O CUR-0050422 [0,0,0,1,0,0|1,0,0]=2 97 B7R1.1 C1CNCC1CF CUR-0122530 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.1 C1COCC1C#N CUR-0018666 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 C1COCC1C=O CUR-0082585 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.1 C1COCC1CBr CUR-0003563 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.1 C1COCC1CI CUR-0015713 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 C1COCC1CN CUR-0021455 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.1 C1COCC1CO CUR-0101139 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.1 CNC1CCCC1 CUR-0011121 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.1 CNC1CCOC1 CUR-0020484 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.1 CSC1CCNC1 CUR-0121753 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.3 C1CC(CNC1)O CUR-0101604 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.3 C1CC(COC1)N CUR-0090441 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.3 C1CCC(CC1)Br CUR-0027491 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.3 C1CCC(CC1)N CUR-0004167 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.3 C1CCC(CC1)O CUR-0020069 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.3 CC1CCCCN1 CUR-0101581 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.3 CC1CCCNC1 CUR-0013551 [0,0,0,1,0,0|1,0,1]=3 115 B7R1.3 CC1CCNCC1 CUR-0000849 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.3 CC1CNCCN1 CUR-0101598 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.4 C1CC(=O)C(=O)C1 CUR-0061064 [0,0,0,1,0,0|1,0,1]=3 118 B7R1.4 C1CC(=O)N(C1)N CUR-0099031 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.4 C1CC(C(C1)F)O CUR-0014122 [0,0,0,1,0,0|1,0,2]=4 120 B7R1.4 C1CNC(=O)C1Br CUR-0004832 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.4 C1COC(=O)C1Br CUR-0012154 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.4 C1CSC(=O)C1N CUR-0025625 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.4 C1[C@H](C(=O)NO1)N CUR-0101615 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.4 CN1CCCC1=O CUR-0101576 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.6 CCNC1CCC1 CUR-0028770 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.22 C1CC1C(CN)O CUR-0022173 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.22 CC(C1CC1)NN CUR-0014382 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.25 CC1(COC1)CO CUR-0022359 [0,0,0,1,0,0|1,0,2]=4 129 B4R0.1 CC(=C)C=O CUR-0101443 [2,0,0,0,0,0|0,0,2]=4 130 B4R0.1 CC(=C)CCl CUR-0011941 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.1 CC(=C)OC CUR-0101450 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.1 CC(=O)C=O CUR-0101448 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.1 CC(=O)CCl CUR-0002239 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.1 CC(=O)CO CUR-0005016 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 CC(C)C#N CUR-0009528 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.1 CC(C)C=O CUR-0017872 [2,0,0,0,0,0|0,0,0]=2 137 B4R0.1 CC(C)CBr CUR-0024115 [2,0,0,0,0,0|1,0,1]=4 138 B4R0.1 CC(C)CI CUR-0028804 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 CC(C)CN CUR-0020747 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.1 CC(C)CO CUR-0012302 [2,0,0,0,0,0|0,0,2]=4 141 B4R0.1 CC(C)NN CUR-0014509 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 CC(CN)N CUR-0101461 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 CC(CN)O CUR-0024952 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.1 CC(CN)S CUR-0003165 [2,0,0,0,0,0|1,1,0]=4 145 B4R0.1 CC(CO)O CUR-0022593 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.1 CC(CS)N CUR-0021165 [2,0,0,0,0,0|2,0,0]=4 147 B4R0.1 CCC(=O)Cl CUR-0101547 [2,0,0,0,0,0|1,0,1]=4 148 B4R0.1 CCC(=O)N CUR-0101453 [2,0,0,0,0,0|1,0,1]=4 149 B4R0.1 CCC(=O)O CUR-0010221 [2,0,0,0,0,0|1,0,1]=4 150 B4R0.1 CCC(C)Br CUR-0102085 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 CCC(C)I CUR-0055396 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 CCC(C)N CUR-0001789 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.1 CCN(C)C CUR-0101456 [2,0,0,0,0,0|1,0,1]=4 154 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [2,0,0,0,0,0|2,0,0]=4 155 B4R0.2 C(CBr)CBr CUR-0016721 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.2 C(CCl)CBr CUR-0004377 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.2 C(CN)CBr CUR-0103678 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.2 C(CN)CCl CUR-0101958 [2,0,0,0,0,0|2,0,0]=4 159 B4R0.2 C(CN)CN CUR-0101462 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.2 C(CN)CO CUR-0005687 [2,0,0,0,0,0|1,0,1]=4 161 B4R0.2 C(CO)CCl CUR-0004180 [2,0,0,0,0,0|1,0,1]=4 162 B4R0.2 C(CO)CO CUR-0007262 [2,0,0,0,0,0|1,0,1]=4 163 B4R0.2 C(CS)CS CUR-0006323 [2,0,0,0,0,0|1,1,0]=4 164 B4R0.2 C=CCCBr CUR-0002027 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.2 C=CCCI CUR-0000685 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.2 C=CCCO CUR-0101449 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.2 CCCC#N CUR-0101440 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.2 CCCC=O CUR-0100896 [2,0,0,0,0,0|0,0,0]=2 169 B4R0.2 CCCCBr CUR-0023794 [2,0,0,0,0,0|1,0,0]=3 170 B4R0.2 CCCCCl CUR-0023945 [2,0,0,0,0,0|1,0,0]=3 171 B4R0.2 CCCCI CUR-0001021 [2,0,0,0,0,0|1,0,0]=3 172 B4R0.2 CCCCN CUR-0017800 [2,0,0,0,0,0|1,0,0]=3 173 B4R0.2 CCCCN CUR-0101317 [2,0,0,0,0,0|1,0,0]=3 174 B4R0.2 CCCCO CUR-0016718 [2,0,0,0,0,0|0,0,1]=3 175 B4R0.2 CCCNN CUR-0022831 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.2 CCN=C=O CUR-0101447 [2,0,0,0,0,0|1,0,1]=4 177 B4R0.2 CCNCC CUR-0022731 [2,0,0,0,0,0|1,0,0]=3 178 B4R0.2 CCNCC CUR-0101285 [2,0,0,0,0,0|1,0,0]=3 179 B4R0.2 CCOC=C CUR-0100764 [2,0,0,0,0,0|1,0,1]=4 180 B4R0.2 CCOC=O CUR-0010493 [2,0,0,0,0,0|1,0,0]=3 181 B4R0.2 CNCCI CUR-0017490 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.2 CNCCO CUR-0011813 [2,0,0,0,0,0|1,0,1]=4 183 B4R0.2 COCCBr CUR-0009505 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.2 COCCCl CUR-0000941 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.2 COCCN CUR-0012344 [2,0,0,0,0,0|2,0,0]=4 186 B4R0.2 COCCO CUR-0101466 [2,0,0,0,0,0|1,0,1]=4 187 B4R0.2 COCOC CUR-0101465 [2,0,0,0,0,0|2,0,0]=4 188 B4R0.2 CSCCN CUR-0101544 [2,0,0,0,0,0|2,0,0]=4 189 B4R0.2 C\C=C\C=O CUR-0001472 [2,0,0,0,0,0|0,0,2]=4 190 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [1,1,0,0,0,0|0,0,2]=4 191 B6R0.2 CC(C)CC(=O)C CUR-0017562 [1,1,0,0,0,0|0,0,1]=3 192 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.2 CC(C)CC(=O)O CUR-0017645 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.2 CC(C)NC(C)C CUR-0028446 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.3 CC(C)C(CN)O CUR-0027506 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.3 CCC(C(=O)O)N CUR-0010659 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.3 CCC(C(C)O)N CUR-0067426 [1,1,0,0,0,0|0,0,1]=3 200 B6R0.3 CCC(C)C(=O)O CUR-0101619 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.4 C(CC(=O)O)CN CUR-0010241 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.4 CC(=O)CCCCl CUR-0004280 [1,1,0,0,0,0|0,0,1]=3 205 B6R0.4 CC(C)CCNN CUR-0019174 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.4 CC(C)CCON CUR-0153393 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.4 CC(C)NCCO CUR-0101633 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.4 CC(CCC#C)O CUR-0038064 [1,1,0,0,0,0|0,0,2]=4 209 B6R0.4 CC(CCC#N)Br CUR-0049988 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.4 CCCCC(=O)C CUR-0101595 [1,1,0,0,0,0|0,0,1]=3 211 B6R0.4 CCCCC(=O)Cl CUR-0101805 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.4 CCCCC(=O)O CUR-0101620 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.4 CCOCC(=O)O CUR-0101637 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.4 CN(C)CCCN CUR-0101628 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.4 CN(C)CCCO CUR-0020324 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.4 COCCC(=O)O CUR-0012995 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.5 CC(C)(CCO)O CUR-0101415 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.5 CCCS(=O)(=O)Cl CUR-0006923 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.5 CS(=O)(=O)CCO CUR-0101869 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.6 C(CC=O)CC=O CUR-0101590 [1,1,0,0,0,0|0,0,1]=3 221 B6R0.6 C(CCBr)CCBr CUR-0024921 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.6 C(CCCl)CC#N CUR-0016906 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.6 C(CCCl)CCBr CUR-0005784 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.6 C(CCO)CCO CUR-0010266 [1,1,0,0,0,0|0,0,2]=4 225 B6R0.6 CCCCCCBr CUR-0023541 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.6 CCCCCCC CUR-0101599 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.6 CCCCCCI CUR-0008970 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.6 CCCCCCN CUR-0100774 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.6 CCCCCCO CUR-0025713 [1,1,0,0,0,0|0,0,2]=4 230 B6R0.6 CCCCNCC CUR-0101609 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.6 CCCCOC=C CUR-0002040 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.6 CCCNCCC CUR-0008343 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.6 CCNCCC#N CUR-0021027 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.6 CCOCCCN CUR-0101632 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.6 CNCCCC#C CUR-0122249 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.6 CNCCCCN CUR-0156103 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.6 COCCN=C=O CUR-0101602 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.8 CCC(C)(C)CO CUR-0004648 [1,1,0,0,0,0|0,0,2]=4 239 B6R0.9 CCC(CC)C=O CUR-0009845 [1,1,0,0,0,0|0,0,0]=2 240 B6R0.9 COC(C=C)OC CUR-0011769 [1,1,0,0,0,0|2,0,0]=4 241 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N CUR-0122501 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.19 CCC(C)NC(C)CC CUR-0101953 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.23 CC(C(=O)C)NC(=O)C CUR-0101122 [0,2,0,0,0,0|1,0,1]=4 244 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.8 C(C[C@@H](C(=O)O)N)CN CUR-0101406 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.8 CCCCC(C(=O)O)Br CUR-0103355 [0,2,0,0,0,0|1,0,0]=3 248 B8R0.8 CCCCC(C(=O)O)N CUR-0009588 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.8 CSCCC(C(=O)O)N CUR-0020132 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.8 CSCC[C@@H](C(=O)O)N CUR-0122285 [0,2,0,0,0,0|1,0,0]=3 251 B8R0.11 CCCCC(CC)CN CUR-0101954 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.11 COC(CCCN)OC CUR-0102018 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.12 CC(C)(CCO)C(=O)[O-] CUR-0165398 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.22 CCOC(C=C)OCC CUR-0101965 [0,2,0,0,0,0|2,0,0]=4 255 B6R1.2 C1CC(=O)NC1 CUR-0017206 [1,0,0,1,0,0|1,0,1]=4 256 B6R1.2 C1CC(=O)OC1 CUR-0101496 [1,0,0,1,0,0|1,0,1]=4 257 B6R1.2 C1CCC(=O)C1 CUR-0027028 [1,0,0,1,0,0|0,0,1]=3 258 B6R1.2 C1CCC(C1)Br CUR-0025546 [1,0,0,1,0,0|1,0,0]=3 259 B6R1.2 C1CCC(C1)N CUR-0006172 [1,0,0,1,0,0|1,0,0]=3 260 B6R1.2 C1CCC(C1)O CUR-0021370 [1,0,0,1,0,0|0,0,1]=3 261 B6R1.2 C1CNCC1O CUR-0101217 [1,0,0,1,0,0|1,0,1]=4 262 B6R1.2 C1CNC[C@@H]1O CUR-0101508 [1,0,0,1,0,0|1,0,1]=4 263 B6R1.2 C1COCC1O CUR-0101518 [1,0,0,1,0,0|1,0,1]=4 264 B6R1.2 C1CSCC1=O CUR-0101623 [1,0,0,1,0,0|1,0,1]=4 265 B6R1.2 CN1CCCC1 CUR-0101495 [1,0,0,1,0,0|1,0,1]=4 266 B6R1.3 CNCC1CC1 CUR-0090189 [1,0,0,1,0,0|1,0,1]=4 267 B6R1.8 C=C1CC1CO CUR-0163362 [1,0,0,1,0,0|1,0,1]=4 268 B6R1.9 CC1(CC1N)C CUR-0090235 [1,0,0,1,0,0|1,0,1]=4 269 B6R1.11 C1CC1C(=O)Cl CUR-0101645 [1,0,0,1,0,0|1,0,1]=4 270 B6R1.11 C1CC1C(=O)O CUR-0027058 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.11 CC(=O)C1CC1 CUR-0020622 [1,0,0,1,0,0|0,0,1]=3 272 B6R1.1 C1CC=COC1 CUR-0027513 [1,0,0,1,0,0|0,0,2]=4 273 B6R1.1 C1CCC=CC1 CUR-0022869 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.4 CC1CCC1N CUR-0163343 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.4 CC1CCC1O CUR-0090358 [1,0,0,1,0,0|0,0,2]=4 276 B6R1.6 C1CC(C1)CBr CUR-0003993 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.6 C1CC(C1)CO CUR-0022828 [1,0,0,1,0,0|0,0,2]=4 278 B6R1.6 C1CC(C1)NN CUR-0100630 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.6 CNC1CCC1 CUR-0010771 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.4 C1CC(=O)CC(=O)C1 CUR-0019886 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.4 C1CC(=O)OC(=O)C1 CUR-0009916 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.4 CC1CC(CNC1)C CUR-0101710 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.4 CC1CCCC(=O)C1 CUR-0101702 [0,1,0,1,0,0|0,0,0]=2 284 B8R1.4 CC1CCCC(C1)O CUR-0017679 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.4 CC1CCCC(N1)C CUR-0101708 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CUR-0100904 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.18 CC1CC(C(=O)O1)Br CUR-0020365 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.18 CN1CC(=O)CC1=O CUR-0055835 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.18 CN1CC(CC1=O)N CUR-0086561 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.53 CC1(CC(C1)CBr)C CUR-0120041 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.53 CC1(CC(C1)CN)C CUR-0083021 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.53 CC1(CC(C1)CO)C CUR-0098639 [0,1,0,1,0,0|0,0,2]=4 293 B8R1.2 C1CC(=COC1)C=O CUR-0100474 [0,1,0,1,0,0|0,0,2]=4 294 B8R1.2 C1CC(CC=C1)C=O CUR-0018878 [0,1,0,1,0,0|0,0,1]=3 295 B8R1.2 C1CC(COC1)C=O CUR-0006884 [0,1,0,1,0,0|0,0,0]=2 296 B8R1.2 C1CCC(CC1)C=O CUR-0101704 [0,1,0,1,0,0|0,0,0]=2 297 B8R1.2 C1CCC(CC1)CBr CUR-0011703 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.2 C1CCC(CC1)[Mg]Cl CUR-0102210 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.2 C1CCN(CC1)C=O CUR-0012773 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.2 C1CCOC(C1)CO CUR-0101759 [0,1,0,1,0,0|0,0,2]=4 301 B8R1.2 C1CN(CCN1)C=O CUR-0101722 [0,1,0,1,0,0|1,0,0]=3 302 B8R1.2 C1CNCCC1C#N CUR-0102291 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.2 C1CNCCC1CN CUR-0101728 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.2 C1CNCCC1CO CUR-0016636 [0,1,0,1,0,0|0,0,2]=4 305 B8R1.2 C1COCCC1CBr CUR-0017881 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.2 C1COCCC1CN CUR-0016360 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.2 C1COCCC1CN CUR-0101743 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.2 C1COCCC1CO CUR-0025645 [0,1,0,1,0,0|0,0,2]=4 309 B8R1.2 C1COCCN1C=O CUR-0000742 [0,1,0,1,0,0|1,0,0]=3 310 B8R1.2 CCC1CCCCN1 CUR-0101713 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.2 CNC1CCCCC1 CUR-0022042 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.2 COC1CCNCC1 CUR-0098884 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.2 COC1CCNCC1 CUR-0102416 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.3 CC1CCC(CC1)O CUR-0005881 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.3 C[C@H]1CC[C@@H](CC1)N CUR-0101712 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.5 C1CC(C(=O)NC1)Br CUR-0014307 [0,1,0,1,0,0|1,0,0]=3 317 B8R1.5 C1CC(C(=O)OC1)Br CUR-0008409 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.5 C1CCC(=O)C(C1)Cl CUR-0101998 [0,1,0,1,0,0|1,0,0]=3 319 B8R1.5 CC1C(=O)NCCN1 CUR-0001671 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.5 CC1CCCCC1=O CUR-0101703 [0,1,0,1,0,0|0,0,0]=2 321 B8R1.5 CC1CCCCC1N CUR-0101709 [0,1,0,1,0,0|1,0,1]=4 322 B8R1.5 CN1CCNCC1=O CUR-0091495 [0,1,0,1,0,0|1,0,0]=3 323 B8R1.50 CN1CCC(C1=O)Br CUR-0011211 [0,1,0,1,0,0|1,0,0]=3 324 B8R1.50 CN1CCC(C1=O)N CUR-0012125 [0,1,0,1,0,0|1,0,0]=3 325 B8R1.50 CN1CCC(C1=O)O CUR-0013744 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.50 CN1CCN(C1=O)C CUR-0101721 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.52 C1CCC(C1)(CN)O CUR-0010228 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.7 C1C=CCC1C(=O)O CUR-0017055 [0,1,0,1,0,0|0,0,2]=4 329 B8R1.7 C1CC(NC1)C(=O)O CUR-0028986 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.7 C1CC(OC1)C(=O)O CUR-0016168 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.7 C1CCC(C1)C(=O)O CUR-0019739 [0,1,0,1,0,0|0,0,0]=2 332 B8R1.7 C1CCN(C1)C(=N)N CUR-0006505 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.7 C1CNCC1C(=O)N CUR-0028604 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.7 C1COCC1C(=N)N CUR-0165397 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.7 C1COCC1C(=O)O CUR-0024198 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.7 C1CSC(S1)C(=O)O CUR-0011824 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.7 C1C[C@@H](NC1)C(=O)O CUR-0100756 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.7 C1C[C@H](NC1)C(=O)N CUR-0101723 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.7 C1C[C@H](NC1)C(=O)O CUR-0101268 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.7 C1[C@H](NCS1)C(=O)O CUR-0102015 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.19 CC1(CCCC1=O)C CUR-0099926 [0,1,0,1,0,0|0,0,0]=2 342 B8R1.19 CC1(CCCC1O)C CUR-0056939 [0,1,0,1,0,0|0,0,2]=4 343 B8R1.23 C1C(CC1=O)C(=O)O CUR-0097339 [0,1,0,1,0,0|1,0,1]=4 344 B8R1.54 C1CC1C(C(=O)N)N CUR-0101299 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.78 C1CC(C1)(C(=O)N)N CUR-0011550 [0,1,0,1,0,0|1,0,0]=3 346 B8R1.8 C1CCC(C1)CCN CUR-0004406 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.8 C1CCC(C1)N=C=O CUR-0101692 [0,1,0,1,0,0|0,0,1]=3 348 B8R1.8 C1COCC1N=C=O CUR-0026873 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.11 C1CC(=O)N(C1)CCl CUR-0095842 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.11 C1CC(C(C1)N)CO CUR-0048429 [0,1,0,1,0,0|0,0,2]=4 351 B8R1.11 C1CC(C(C1)O)CN CUR-0017233 [0,1,0,1,0,0|0,0,2]=4 352 B8R1.11 C=CN1CCCC1=O CUR-0026598 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.11 CC1CCCC1CN CUR-0083631 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.11 CN1CCCC1CO CUR-0019910 [0,1,0,1,0,0|0,0,2]=4 355 B8R1.11 CNC1CCNC1=O CUR-0087614 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.11 CSC1CCCC1N CUR-0019849 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.28 CC(C)(CO)C1CC1 CUR-0078152 [0,1,0,1,0,0|0,0,2]=4 358 B8R1.28 CC(CN)(C1CC1)O CUR-0007115 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.28 CCC(C)(C1CC1)N CUR-0155190 [0,1,0,1,0,0|1,0,1]=4 360 B8R2.42 C1CC2(C1)CNC2 CUR-0121720 [0,0,0,2,0,0|1,0,1]=4