0 B4R0.2 C#CCCN CUR-0100609 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCCO CUR-0101442 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C(CBr)CBr CUR-0016721 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C(CCl)C#N CUR-0025838 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C(CCl)CBr CUR-0004377 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C(CN)CBr CUR-0103678 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 C(CN)CCl CUR-0101958 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 C(CN)CN CUR-0101462 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 C(CN)CO CUR-0005687 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.2 C(CO)C#N CUR-0000520 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 C(CO)CCl CUR-0004180 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.2 C(CO)CO CUR-0007262 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.2 C(CO)NN CUR-0100819 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.2 C(CS)CS CUR-0006323 [0,0,0,0,0,0|2,1,1]=4 14 B4R0.2 C=CCC#N CUR-0014589 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.2 C=CCCBr CUR-0002027 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 C=CCCI CUR-0000685 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 C=CCCO CUR-0101449 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.2 C=CCNN CUR-0101265 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.2 C=CCNN CUR-0122500 [0,0,0,0,0,0|4,0,0]=4 20 B4R0.2 CC#CCBr CUR-0102000 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.2 CC=CC#N CUR-0028876 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.2 CCCC#N CUR-0101440 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.2 CCCC=O CUR-0100896 [0,0,0,0,0,0|1,0,0]=1 24 B4R0.2 CCCCBr CUR-0023794 [0,0,0,0,0,0|2,0,1]=3 25 B4R0.2 CCCCCl CUR-0023945 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.2 CCCCI CUR-0001021 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.2 CCCCN CUR-0017800 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.2 CCCCN CUR-0101317 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.2 CCCCO CUR-0016718 [0,0,0,0,0,0|1,0,2]=3 30 B4R0.2 CCCNN CUR-0022831 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.2 CCN=C=O CUR-0101447 [0,0,0,0,0,0|1,0,1]=2 32 B4R0.2 CCN=C=S CUR-0006416 [0,0,0,0,0,0|1,1,1]=3 33 B4R0.2 CCNCC CUR-0022731 [0,0,0,0,0,0|2,0,1]=3 34 B4R0.2 CCNCC CUR-0101285 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.2 CCOC=C CUR-0100764 [0,0,0,0,0,0|1,0,0]=1 36 B4R0.2 CCOC=O CUR-0010493 [0,0,0,0,0,0|0,0,0]=0 37 B4R0.2 CNCCI CUR-0017490 [0,0,0,0,0,0|3,0,1]=4 38 B4R0.2 CNCCO CUR-0011813 [0,0,0,0,0,0|2,0,2]=4 39 B4R0.2 COCC#N CUR-0101446 [0,0,0,0,0,0|3,0,1]=4 40 B4R0.2 COCCBr CUR-0009505 [0,0,0,0,0,0|3,0,1]=4 41 B4R0.2 COCCCl CUR-0000941 [0,0,0,0,0,0|3,0,1]=4 42 B4R0.2 COCCN CUR-0012344 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.2 COCCO CUR-0101466 [0,0,0,0,0,0|2,0,2]=4 44 B4R0.2 COCOC CUR-0101465 [0,0,0,0,0,0|4,0,0]=4 45 B4R0.2 CSCCN CUR-0101544 [0,0,0,0,0,0|3,0,1]=4 46 B4R0.2 C\C=C\C#N CUR-0101432 [0,0,0,0,0,0|2,0,2]=4 47 B4R0.2 C\C=C\C=O CUR-0001472 [0,0,0,0,0,0|1,0,1]=2 48 B3R0.1 C#CCBr CUR-0002725 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.1 C#CCN CUR-0101424 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.1 C#CCO CUR-0007009 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.1 C(=O)C=O CUR-0024623 [1,0,0,0,0,0|1,0,1]=3 52 B3R0.1 C(=O)NN CUR-0101193 [1,0,0,0,0,0|2,0,0]=3 53 B3R0.1 C(C#N)Br CUR-0100898 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.1 C(C#N)Cl CUR-0018708 [1,0,0,0,0,0|2,0,1]=4 55 B3R0.1 C(C#N)N CUR-0101408 [1,0,0,0,0,0|2,0,1]=4 56 B3R0.1 C(C=O)Cl CUR-0018990 [1,0,0,0,0,0|1,0,0]=2 57 B3R0.1 C(CBr)Br CUR-0000806 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.1 C(CBr)Cl CUR-0006161 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 C(CBr)N CUR-0103516 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 C(CBr)O CUR-0021042 [1,0,0,0,0,0|1,0,2]=4 61 B3R0.1 C(CCl)N CUR-0015629 [1,0,0,0,0,0|2,0,1]=4 62 B3R0.1 C(CCl)O CUR-0101474 [1,0,0,0,0,0|1,0,2]=4 63 B3R0.1 C(CN)N CUR-0009355 [1,0,0,0,0,0|2,0,1]=4 64 B3R0.1 C(CN)N CUR-0101207 [1,0,0,0,0,0|2,0,1]=4 65 B3R0.1 C(CN)N CUR-0101271 [1,0,0,0,0,0|2,0,1]=4 66 B3R0.1 C(CO)N CUR-0010085 [1,0,0,0,0,0|1,0,2]=4 67 B3R0.1 C(CO)O CUR-0026540 [1,0,0,0,0,0|1,0,2]=4 68 B3R0.1 C(CS)N CUR-0000633 [1,0,0,0,0,0|1,1,1]=4 69 B3R0.1 C(CS)N CUR-0101235 [1,0,0,0,0,0|1,1,1]=4 70 B3R0.1 C(CS)O CUR-0013730 [1,0,0,0,0,0|1,0,2]=4 71 B3R0.1 C=CC#N CUR-0023863 [1,0,0,0,0,0|2,0,1]=4 72 B3R0.1 C=CCBr CUR-0014802 [1,0,0,0,0,0|2,0,0]=3 73 B3R0.1 C=CCCl CUR-0002102 [1,0,0,0,0,0|2,0,0]=3 74 B3R0.1 C=CCI CUR-0024817 [1,0,0,0,0,0|2,0,0]=3 75 B3R0.1 C=CCN CUR-0009493 [1,0,0,0,0,0|2,0,0]=3 76 B3R0.1 C=CCO CUR-0101427 [1,0,0,0,0,0|2,0,0]=3 77 B3R0.1 CCC#N CUR-0100813 [1,0,0,0,0,0|1,0,1]=3 78 B3R0.1 CCC=O CUR-0015273 [1,0,0,0,0,0|0,0,0]=1 79 B3R0.1 CCCBr CUR-0028377 [1,0,0,0,0,0|1,0,1]=3 80 B3R0.1 CCCI CUR-0010202 [1,0,0,0,0,0|1,0,1]=3 81 B3R0.1 CCCN CUR-0000120 [1,0,0,0,0,0|1,0,1]=3 82 B3R0.1 CCCO CUR-0017382 [1,0,0,0,0,0|0,0,2]=3 83 B3R0.1 CCCS CUR-0009615 [1,0,0,0,0,0|0,1,1]=3 84 B3R0.1 CCNN CUR-0017500 [1,0,0,0,0,0|2,0,0]=3 85 B3R0.1 CN=C=S CUR-0012135 [1,0,0,0,0,0|1,1,1]=4 86 B3R0.1 CNC=O CUR-0012781 [1,0,0,0,0,0|1,0,0]=2 87 B3R0.1 CNOC CUR-0015640 [1,0,0,0,0,0|1,0,1]=3 88 B3R0.1 COCCl CUR-0028317 [1,0,0,0,0,0|1,0,1]=3 89 B3R0.1 CSSC CUR-0101553 [1,0,0,0,0,0|1,1,1]=4 90 B5R0.1 C(C#N)C(=O)N CUR-0015106 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.1 C(C#N)C(=O)O CUR-0011506 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.1 C(CBr)C(=O)O CUR-0102453 [0,1,0,0,0,0|2,0,0]=3 93 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [0,1,0,0,0,0|2,0,0]=3 94 B5R0.1 C(CCl)C(=O)O CUR-0008480 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.1 C(CN)C(=O)O CUR-0006907 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [0,1,0,0,0,0|2,0,0]=3 97 B5R0.1 C(CS)C(=O)O CUR-0101651 [0,1,0,0,0,0|2,0,0]=3 98 B5R0.1 CC(=CCBr)C CUR-0059675 [0,1,0,0,0,0|3,0,0]=4 99 B5R0.1 CC(=CCCl)C CUR-0022594 [0,1,0,0,0,0|3,0,0]=4 100 B5R0.1 CC(=O)COC CUR-0101516 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.1 CC(=O)OC=C CUR-0001318 [0,1,0,0,0,0|0,0,2]=3 102 B5R0.1 CC(C)CC#N CUR-0101228 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.1 CC(C)CC=O CUR-0101502 [0,1,0,0,0,0|1,0,0]=2 104 B5R0.1 CC(C)CCBr CUR-0002757 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.1 CC(C)CCN CUR-0101511 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.1 CC(C)CCO CUR-0003416 [0,1,0,0,0,0|1,0,2]=4 107 B5R0.1 CC(C)CNN CUR-0001046 [0,1,0,0,0,0|3,0,0]=4 108 B5R0.1 CC(C)N=C=O CUR-0101492 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.1 CC(C)N=C=S CUR-0101608 [0,1,0,0,0,0|1,1,1]=4 110 B5R0.1 CC(CCO)O CUR-0003759 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.1 CC(COC)N CUR-0101532 [0,1,0,0,0,0|3,0,0]=4 112 B5R0.1 CC(CSC)N CUR-0019523 [0,1,0,0,0,0|3,0,0]=4 113 B5R0.1 CCCC(=O)C CUR-0026599 [0,1,0,0,0,0|1,0,0]=2 114 B5R0.1 CCCC(=O)Cl CUR-0020308 [0,1,0,0,0,0|1,0,0]=2 115 B5R0.1 CCCC(=O)O CUR-0020198 [0,1,0,0,0,0|1,0,0]=2 116 B5R0.1 CCCC(C)O CUR-0023615 [0,1,0,0,0,0|1,0,2]=4 117 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [0,1,0,0,0,0|2,0,0]=3 118 B5R0.1 CCOC(=O)C CUR-0101519 [0,1,0,0,0,0|0,0,0]=1 119 B5R0.1 CCOC(=O)Cl CUR-0026181 [0,1,0,0,0,0|0,0,0]=1 120 B5R0.1 CCOC(=O)N CUR-0100824 [0,1,0,0,0,0|0,0,0]=1 121 B5R0.1 CNCC(=O)O CUR-0018005 [0,1,0,0,0,0|2,0,0]=3 122 B5R0.1 COCC(=O)Cl CUR-0101665 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.1 COCC(=O)O CUR-0014449 [0,1,0,0,0,0|2,0,0]=3 124 B5R0.1 CSCC(=N)N CUR-0100998 [0,1,0,0,0,0|3,0,0]=4 125 B5R0.1 CSCC(=O)O CUR-0025987 [0,1,0,0,0,0|2,0,0]=3 126 B5R0.1 C\C=C\C(=O)O CUR-0100765 [0,1,0,0,0,0|1,0,1]=3 127 B5R0.2 C#CCCCO CUR-0101486 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.2 C#CCN=C=O CUR-0021951 [0,1,0,0,0,0|1,0,2]=4 129 B5R0.2 C(C=CCO)O CUR-0100969 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.2 C(CC#N)CCl CUR-0000109 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.2 C(CC#N)CO CUR-0020823 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.2 C(CCBr)CBr CUR-0026189 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.2 C(CCBr)CCl CUR-0000065 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.2 C(CCCl)CO CUR-0025105 [0,1,0,0,0,0|1,0,2]=4 135 B5R0.2 C(CCN)CN CUR-0016745 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.2 C(CCO)CO CUR-0024794 [0,1,0,0,0,0|1,0,2]=4 137 B5R0.2 C(CCS)CN CUR-0119579 [0,1,0,0,0,0|1,1,1]=4 138 B5R0.2 C(CCl)N=C=O CUR-0029062 [0,1,0,0,0,0|1,0,1]=3 139 B5R0.2 C(\C=C/CO)O CUR-0101515 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.2 C=CCCCN CUR-0089890 [0,1,0,0,0,0|2,0,0]=3 141 B5R0.2 CC#CCCN CUR-0091824 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.2 CCCCC#N CUR-0002776 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.2 CCCCC=O CUR-0020580 [0,1,0,0,0,0|1,0,0]=2 144 B5R0.2 CCCCCBr CUR-0020920 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.2 CCCCCI CUR-0007389 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.2 CCCCCN CUR-0101510 [0,1,0,0,0,0|2,0,1]=4 147 B5R0.2 CCCCCO CUR-0018736 [0,1,0,0,0,0|1,0,2]=4 148 B5R0.2 CCCCNC CUR-0101509 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.2 CCCN=C=O CUR-0101493 [0,1,0,0,0,0|1,0,1]=3 150 B5R0.2 CCNCCCl CUR-0137711 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.2 CCNCCO CUR-0101534 [0,1,0,0,0,0|1,0,2]=4 152 B5R0.2 CCOCCBr CUR-0026041 [0,1,0,0,0,0|1,0,1]=3 153 B5R0.2 CCOCCO CUR-0010841 [0,1,0,0,0,0|0,0,2]=3 154 B5R0.2 CCO\C=C\C CUR-0101289 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.2 CC\C=C/C#N CUR-0101476 [0,1,0,0,0,0|2,0,0]=3 156 B5R0.2 CC\C=C/CO CUR-0101504 [0,1,0,0,0,0|1,0,1]=3 157 B5R0.2 CNCCC#C CUR-0041404 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.2 CNCCC#N CUR-0024199 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.2 CNCCCN CUR-0101524 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.2 CNCCNC CUR-0001888 [0,1,0,0,0,0|3,0,0]=4 161 B5R0.2 CNCCOC CUR-0101531 [0,1,0,0,0,0|3,0,0]=4 162 B5R0.2 COCCC#N CUR-0101494 [0,1,0,0,0,0|2,0,1]=4 163 B5R0.2 COCCCN CUR-0101530 [0,1,0,0,0,0|2,0,1]=4 164 B5R0.2 COCCNN CUR-0018740 [0,1,0,0,0,0|3,0,0]=4 165 B5R0.2 COCCOC CUR-0026380 [0,1,0,0,0,0|3,0,0]=4 166 B5R0.3 CCC(=O)CC CUR-0101500 [0,1,0,0,0,0|2,0,1]=4 167 B5R0.3 CCC(C)CO CUR-0101523 [0,1,0,0,0,0|1,0,2]=4 168 B5R0.3 CCC(C)NN CUR-0004060 [0,1,0,0,0,0|3,0,0]=4 169 B5R0.3 CCC(CC)Br CUR-0020873 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.3 CCC(CO)N CUR-0101528 [0,1,0,0,0,0|1,0,2]=4 171 B5R0.3 CC\C(=N/O)\N CUR-0010533 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.3 COC(=O)C=C CUR-0018588 [0,1,0,0,0,0|3,0,0]=4 173 B5R1.1 C1C=CCO1 CUR-0017724 [0,0,0,1,0,0|1,0,2]=4 174 B5R1.1 C1CCNC1 CUR-0027320 [0,0,0,1,0,0|2,0,1]=4 175 B5R1.1 C1COC=C1 CUR-0023942 [0,0,0,1,0,0|1,0,0]=2 176 B5R1.1 c1ccoc1 CUR-0017577 [0,0,0,1,0,0|1,0,2]=4 177 B5R1.1 c1cnoc1 CUR-0101437 [0,0,0,1,0,0|2,0,1]=4 178 B5R1.2 C1CC(=O)C1 CUR-0005686 [0,0,0,1,0,0|1,0,0]=2 179 B5R1.2 C1CC(C1)Br CUR-0102047 [0,0,0,1,0,0|2,0,1]=4 180 B5R1.2 C1CC(C1)O CUR-0029256 [0,0,0,1,0,0|1,0,2]=4 181 B5R1.3 C1CC1C#N CUR-0028789 [0,0,0,1,0,0|2,0,1]=4 182 B5R1.3 C1CC1C=O CUR-0016286 [0,0,0,1,0,0|1,0,0]=2 183 B5R1.3 C1CC1CBr CUR-0015213 [0,0,0,1,0,0|2,0,1]=4 184 B5R1.3 C1CC1CN CUR-0019694 [0,0,0,1,0,0|2,0,1]=4 185 B5R1.3 C1CC1CO CUR-0016442 [0,0,0,1,0,0|1,0,2]=4 186 B2R0.1 C(=O)N CUR-0026798 [2,0,0,0,0,0|1,0,0]=3 187 B2R0.1 C(=O)O CUR-0018439 [2,0,0,0,0,0|0,0,0]=2 188 B2R0.1 C(Br)Br CUR-0005423 [2,0,0,0,0,0|2,0,0]=4 189 B2R0.1 C(I)I CUR-0100965 [2,0,0,0,0,0|2,0,0]=4 190 B2R0.1 CC=O CUR-0008743 [2,0,0,0,0,0|0,0,0]=2 191 B2R0.1 CCBr CUR-0012119 [2,0,0,0,0,0|1,0,0]=3 192 B2R0.1 CCI CUR-0000443 [2,0,0,0,0,0|1,0,0]=3 193 B2R0.1 CCN CUR-0101229 [2,0,0,0,0,0|1,0,0]=3 194 B2R0.1 CCS CUR-0022672 [2,0,0,0,0,0|0,1,0]=3 195 B2R0.1 CNC CUR-0026541 [2,0,0,0,0,0|1,0,1]=4 196 B2R0.1 CNC CUR-0101266 [2,0,0,0,0,0|1,0,1]=4 197 B2R0.1 CNN CUR-0101255 [2,0,0,0,0,0|2,0,0]=4 198 B2R0.1 CON CUR-0007384 [2,0,0,0,0,0|1,0,0]=3 199 B4R0.1 C#CC(=O)O CUR-0101441 [1,1,0,0,0,0|0,0,2]=4 200 B4R0.1 C(=O)(N)NN CUR-0003223 [1,1,0,0,0,0|2,0,0]=4 201 B4R0.1 C(=O)(N)NO CUR-0001014 [1,1,0,0,0,0|2,0,0]=4 202 B4R0.1 C(=O)C(=O)O CUR-0021308 [1,1,0,0,0,0|1,0,1]=4 203 B4R0.1 C(C(=N)N)Cl CUR-0085287 [1,1,0,0,0,0|2,0,0]=4 204 B4R0.1 C(C(=O)Br)Br CUR-0006369 [1,1,0,0,0,0|1,0,0]=3 205 B4R0.1 C(C(=O)Cl)Cl CUR-0004550 [1,1,0,0,0,0|1,0,0]=3 206 B4R0.1 C(C(=O)N)Br CUR-0014813 [1,1,0,0,0,0|1,0,0]=3 207 B4R0.1 C(C(=O)N)Cl CUR-0007516 [1,1,0,0,0,0|1,0,0]=3 208 B4R0.1 C(C(=O)N)N CUR-0101687 [1,1,0,0,0,0|1,0,0]=3 209 B4R0.1 C(C(=O)N)O CUR-0113957 [1,1,0,0,0,0|1,0,0]=3 210 B4R0.1 C(C(=O)O)Br CUR-0100788 [1,1,0,0,0,0|1,0,0]=3 211 B4R0.1 C(C(=O)O)Cl CUR-0003311 [1,1,0,0,0,0|1,0,0]=3 212 B4R0.1 C(C(=O)O)I CUR-0003176 [1,1,0,0,0,0|1,0,0]=3 213 B4R0.1 C(C(=O)O)N CUR-0014574 [1,1,0,0,0,0|1,0,0]=3 214 B4R0.1 C(C(=O)O)N CUR-0101231 [1,1,0,0,0,0|1,0,0]=3 215 B4R0.1 C(C(=O)O)O CUR-0014667 [1,1,0,0,0,0|1,0,0]=3 216 B4R0.1 C(C(=O)O)S CUR-0101545 [1,1,0,0,0,0|1,0,0]=3 217 B4R0.1 C(O)S(=O)[O-] CUR-0023303 [1,1,0,0,0,0|1,1,0]=4 218 B4R0.1 C=CC(=O)Cl CUR-0101542 [1,1,0,0,0,0|0,0,2]=4 219 B4R0.1 C=CC(=O)N CUR-0007166 [1,1,0,0,0,0|0,0,2]=4 220 B4R0.1 C=CC(=O)O CUR-0028045 [1,1,0,0,0,0|0,0,2]=4 221 B4R0.1 CC(=C)C=O CUR-0101443 [1,1,0,0,0,0|0,0,1]=3 222 B4R0.1 CC(=C)CCl CUR-0011941 [1,1,0,0,0,0|2,0,0]=4 223 B4R0.1 CC(=C)OC CUR-0101450 [1,1,0,0,0,0|1,0,0]=3 224 B4R0.1 CC(=O)C=C CUR-0013098 [1,1,0,0,0,0|0,0,2]=4 225 B4R0.1 CC(=O)C=O CUR-0101448 [1,1,0,0,0,0|0,0,1]=3 226 B4R0.1 CC(=O)CCl CUR-0002239 [1,1,0,0,0,0|1,0,0]=3 227 B4R0.1 CC(=O)CO CUR-0005016 [1,1,0,0,0,0|1,0,0]=3 228 B4R0.1 CC(C#C)N CUR-0083146 [1,1,0,0,0,0|1,0,1]=4 229 B4R0.1 CC(C#C)O CUR-0101444 [1,1,0,0,0,0|1,0,1]=4 230 B4R0.1 CC(C#N)Cl CUR-0101233 [1,1,0,0,0,0|1,0,1]=4 231 B4R0.1 CC(C)C#N CUR-0009528 [1,1,0,0,0,0|1,0,1]=4 232 B4R0.1 CC(C)C=O CUR-0017872 [1,1,0,0,0,0|0,0,0]=2 233 B4R0.1 CC(C)CBr CUR-0024115 [1,1,0,0,0,0|1,0,1]=4 234 B4R0.1 CC(C)CI CUR-0028804 [1,1,0,0,0,0|1,0,1]=4 235 B4R0.1 CC(C)CN CUR-0020747 [1,1,0,0,0,0|1,0,1]=4 236 B4R0.1 CC(C)CO CUR-0012302 [1,1,0,0,0,0|0,0,2]=4 237 B4R0.1 CC(C)NN CUR-0014509 [1,1,0,0,0,0|2,0,0]=4 238 B4R0.1 CC(CN)N CUR-0101461 [1,1,0,0,0,0|1,0,1]=4 239 B4R0.1 CC(CN)O CUR-0024952 [1,1,0,0,0,0|1,0,1]=4 240 B4R0.1 CC(CN)S CUR-0003165 [1,1,0,0,0,0|1,0,1]=4 241 B4R0.1 CC(CO)O CUR-0022593 [1,1,0,0,0,0|0,0,2]=4 242 B4R0.1 CC(CS)N CUR-0021165 [1,1,0,0,0,0|0,1,1]=4 243 B4R0.1 CCC(=O)Cl CUR-0101547 [1,1,0,0,0,0|0,0,0]=2 244 B4R0.1 CCC(=O)N CUR-0101453 [1,1,0,0,0,0|0,0,0]=2 245 B4R0.1 CCC(=O)O CUR-0010221 [1,1,0,0,0,0|0,0,0]=2 246 B4R0.1 CCC(C)Br CUR-0102085 [1,1,0,0,0,0|1,0,1]=4 247 B4R0.1 CCC(C)I CUR-0055396 [1,1,0,0,0,0|1,0,1]=4 248 B4R0.1 CCC(C)N CUR-0001789 [1,1,0,0,0,0|1,0,1]=4 249 B4R0.1 CCN(C)C CUR-0101456 [1,1,0,0,0,0|1,0,1]=4 250 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [1,1,0,0,0,0|1,0,0]=3 251 B4R0.1 CNC(=O)N CUR-0025342 [1,1,0,0,0,0|1,0,0]=3 252 B4R0.1 CNC(=S)N CUR-0004136 [1,1,0,0,0,0|1,1,0]=4 253 B4R0.1 COC(=N)N CUR-0101458 [1,1,0,0,0,0|1,0,0]=3 254 B4R0.1 COC(=O)Cl CUR-0019109 [1,1,0,0,0,0|0,0,0]=2 255 B4R0.1 COC(Cl)Cl CUR-0101733 [1,1,0,0,0,0|1,0,1]=4 256 B4R0.1 CSC(=N)N CUR-0104011 [1,1,0,0,0,0|1,1,0]=4 257 B6R0.1 CCC(=O)OCC CUR-0101621 [0,2,0,0,0,0|0,0,0]=2 258 B6R0.1 CCCC(C)C=O CUR-0101597 [0,2,0,0,0,0|1,0,0]=3 259 B6R0.1 CCNC(=O)C#C CUR-0067040 [0,2,0,0,0,0|1,0,0]=3 260 B6R0.1 CCNC(=O)CCl CUR-0099539 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.1 CCOC(=O)C#C CUR-0101411 [0,2,0,0,0,0|0,0,0]=2 262 B6R0.1 CCOC(=O)C#N CUR-0012085 [0,2,0,0,0,0|0,0,0]=2 263 B6R0.1 CCOC(=O)C=C CUR-0027721 [0,2,0,0,0,0|0,0,0]=2 264 B6R0.1 CCOC(=O)C=O CUR-0101612 [0,2,0,0,0,0|0,0,0]=2 265 B6R0.1 CCOC(=O)CBr CUR-0001682 [0,2,0,0,0,0|0,0,0]=2 266 B6R0.1 CCOC(=O)CCl CUR-0015757 [0,2,0,0,0,0|0,0,0]=2 267 B6R0.1 CCOC(=O)CF CUR-0101650 [0,2,0,0,0,0|0,0,0]=2 268 B6R0.1 CCOC(=O)CN CUR-0024509 [0,2,0,0,0,0|0,0,0]=2 269 B6R0.1 CCOC(=O)CO CUR-0101638 [0,2,0,0,0,0|0,0,0]=2 270 B6R0.1 CNCC(=O)OC CUR-0102132 [0,2,0,0,0,0|2,0,0]=4 271 B6R0.1 COC(=O)CCS CUR-0005277 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.1 COCC(=O)OC CUR-0101636 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [0,2,0,0,0,0|1,0,1]=4 274 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [0,2,0,0,0,0|1,0,1]=4 275 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [0,2,0,0,0,0|1,0,1]=4 276 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,2,0,0,0,0|1,0,0]=3 280 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [0,2,0,0,0,0|0,0,0]=2 281 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [0,2,0,0,0,0|0,0,0]=2 282 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [0,2,0,0,0,0|2,0,0]=4 283 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [0,2,0,0,0,0|2,0,0]=4 284 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [0,2,0,0,0,0|2,0,0]=4 287 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [0,2,0,0,0,0|2,0,0]=4 288 B6R0.3 CC(=O)C(=O)OC CUR-0100866 [0,2,0,0,0,0|2,0,0]=4 289 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [0,2,0,0,0,0|1,0,0]=3 291 B6R0.3 CCC(C(=O)O)N CUR-0010659 [0,2,0,0,0,0|1,0,0]=3 292 B6R0.3 CCC(C)C(=O)O CUR-0101619 [0,2,0,0,0,0|1,0,0]=3 293 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [0,2,0,0,0,0|1,0,0]=3 294 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [0,2,0,0,0,0|1,0,0]=3 295 B6R0.4 C(CC(=O)O)CN CUR-0010241 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.4 C(CNC(=O)N)N CUR-0013187 [0,2,0,0,0,0|1,0,0]=3 297 B6R0.4 C=CCCC(=O)O CUR-0101586 [0,2,0,0,0,0|1,0,1]=4 298 B6R0.4 CC(=O)CCCCl CUR-0004280 [0,2,0,0,0,0|1,0,0]=3 299 B6R0.4 CC(C)CN=C=O CUR-0095337 [0,2,0,0,0,0|1,0,1]=4 300 B6R0.4 CCCCC(=O)C CUR-0101595 [0,2,0,0,0,0|1,0,0]=3 301 B6R0.4 CCCCC(=O)Cl CUR-0101805 [0,2,0,0,0,0|1,0,0]=3 302 B6R0.4 CCCCC(=O)O CUR-0101620 [0,2,0,0,0,0|1,0,0]=3 303 B6R0.4 CCOCC(=O)O CUR-0101637 [0,2,0,0,0,0|0,0,0]=2 304 B6R0.4 COCCC(=O)O CUR-0012995 [0,2,0,0,0,0|1,0,0]=3 305 B6R0.5 CC(C)(C)CC=O CUR-0101596 [0,2,0,0,0,0|1,0,0]=3 306 B6R0.5 CC(C)(C)N=C=O CUR-0101577 [0,2,0,0,0,0|1,0,1]=4 307 B6R0.5 CC(C)(C)ON=O CUR-0013641 [0,2,0,0,0,0|1,0,0]=3 308 B6R0.5 CCCS(=O)(=O)Cl CUR-0006923 [0,2,0,0,0,0|2,0,0]=4 309 B6R0.6 C(CC=O)CC=O CUR-0101590 [0,2,0,0,0,0|1,0,0]=3 310 B6R0.6 C(CCl)OCCCl CUR-0102211 [0,2,0,0,0,0|1,0,1]=4 311 B6R0.6 C(COCCO)N CUR-0101647 [0,2,0,0,0,0|0,0,2]=4 312 B6R0.6 C(COCCO)O CUR-0012642 [0,2,0,0,0,0|0,0,2]=4 313 B6R0.6 CCCCOC=C CUR-0002040 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.6 CCOCCCN CUR-0101632 [0,2,0,0,0,0|1,0,1]=4 315 B6R0.6 CCO\C=C\C#N CUR-0101565 [0,2,0,0,0,0|1,0,0]=3 316 B6R0.6 CC\C=C\CCO CUR-0007913 [0,2,0,0,0,0|1,0,1]=4 317 B6R0.6 COCCN=C=O CUR-0101602 [0,2,0,0,0,0|1,0,1]=4 318 B6R0.9 CCC(CC)C=O CUR-0009845 [0,2,0,0,0,0|1,0,0]=3 319 B4R1.1 C1CNC1 CUR-0026397 [1,0,0,1,0,0|1,0,1]=4 320 B4R1.2 C1CC1Br CUR-0101807 [1,0,0,1,0,0|1,0,1]=4 321 B4R1.2 C1CC1N CUR-0000296 [1,0,0,1,0,0|1,0,1]=4 322 B4R1.2 CC1CO1 CUR-0006075 [1,0,0,1,0,0|0,0,1]=3 323 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [0,1,0,1,0,0|1,0,0]=3 324 B6R1.2 C1CC(=O)NC1 CUR-0017206 [0,1,0,1,0,0|1,0,0]=3 325 B6R1.2 C1CC(=O)OC1 CUR-0101496 [0,1,0,1,0,0|0,0,0]=2 326 B6R1.2 C1CCC(=O)C1 CUR-0027028 [0,1,0,1,0,0|1,0,0]=3 327 B6R1.2 C1CNC(=O)N1 CUR-0017995 [0,1,0,1,0,0|1,0,0]=3 328 B6R1.2 C1CNC(=O)N1 CUR-0101499 [0,1,0,1,0,0|1,0,0]=3 329 B6R1.2 C1CNC(=S)N1 CUR-0101624 [0,1,0,1,0,0|1,1,0]=4 330 B6R1.2 C1COC(=O)N1 CUR-0101507 [0,1,0,1,0,0|0,0,0]=2 331 B6R1.2 C1COCC1O CUR-0101518 [0,1,0,1,0,0|0,0,2]=4 332 B6R1.2 C1CSC(=N)N1 CUR-0101395 [0,1,0,1,0,0|1,1,0]=4 333 B6R1.2 C1CSC(=N1)N CUR-0013303 [0,1,0,1,0,0|1,1,0]=4 334 B6R1.2 C1CSC(=N1)N CUR-0101202 [0,1,0,1,0,0|1,1,0]=4 335 B6R1.2 C1CSC(=N1)S CUR-0101794 [0,1,0,1,0,0|0,2,0]=4 336 B6R1.2 C1CSCC1=O CUR-0101623 [0,1,0,1,0,0|0,1,0]=3 337 B6R1.2 C1[C@H](CON1)O CUR-0120241 [0,1,0,1,0,0|2,0,0]=4 338 B6R1.2 Cc1ccco1 CUR-0026171 [0,1,0,1,0,0|1,0,1]=4 339 B6R1.2 Cc1ccno1 CUR-0100786 [0,1,0,1,0,0|1,0,1]=4 340 B6R1.3 C1CC1N=C=O CUR-0027996 [0,1,0,1,0,0|1,0,1]=4 341 B6R1.8 C=C1CC1CO CUR-0163362 [0,1,0,1,0,0|2,0,0]=4 342 B6R1.11 C1CC1C(=O)Cl CUR-0101645 [0,1,0,1,0,0|1,0,0]=3 343 B6R1.11 C1CC1C(=O)O CUR-0027058 [0,1,0,1,0,0|1,0,0]=3 344 B6R1.11 CC(=O)C1CC1 CUR-0020622 [0,1,0,1,0,0|1,0,0]=3 345 B6R1.1 C1CC=COC1 CUR-0027513 [0,1,0,1,0,0|1,0,0]=3 346 B6R1.1 C1CCC=CC1 CUR-0022869 [0,1,0,1,0,0|2,0,0]=4 347 B6R1.1 C1COCCN1 CUR-0027011 [0,1,0,1,0,0|1,0,1]=4 348 B6R1.1 C1OCOCO1 CUR-0020355 [0,1,0,1,0,0|0,0,2]=4