0 B5R0.2 C#CCCCO CUR-0101486 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.2 C(C#CCCl)Cl CUR-0101846 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C(C#CCN)N CUR-0082841 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C(C#CCO)N CUR-0090769 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C(C#CCO)O CUR-0101498 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C(C=CCO)O CUR-0100969 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 C(CC#N)CCl CUR-0000109 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 C(CC#N)CO CUR-0020823 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 C(CCBr)CBr CUR-0026189 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 C(CCBr)CCl CUR-0000065 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 C(CCCl)CO CUR-0025105 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.2 C(CCN)CN CUR-0016745 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 C(CCO)CO CUR-0024794 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 C(CCS)CN CUR-0119579 [0,0,0,0,0,0|2,1,0]=3 14 B5R0.2 C(CCl)N=C=O CUR-0029062 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.2 C(\C=C/CO)O CUR-0101515 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.2 C=CCCCN CUR-0089890 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.2 CC#CCCN CUR-0091824 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.2 CCCCC#N CUR-0002776 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.2 CCCCC=O CUR-0020580 [0,0,0,0,0,0|1,0,2]=3 20 B5R0.2 CCCCCBr CUR-0020920 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.2 CCCCCI CUR-0007389 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.2 CCCCCN CUR-0101510 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.2 CCCCCO CUR-0018736 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.2 CCCCNC CUR-0101509 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.2 CCCN=C=O CUR-0101493 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.2 CCNCCCl CUR-0137711 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.2 CCNCCO CUR-0101534 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.2 CCOCCBr CUR-0026041 [0,0,0,0,0,0|1,0,0]=1 29 B5R0.2 CCOCCO CUR-0010841 [0,0,0,0,0,0|0,0,0]=0 30 B5R0.2 CCO\C=C\C CUR-0101289 [0,0,0,0,0,0|1,0,2]=3 31 B5R0.2 CC\C=C/C#N CUR-0101476 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.2 CC\C=C/CO CUR-0101504 [0,0,0,0,0,0|1,0,1]=2 33 B5R0.2 CNCCC#C CUR-0041404 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.2 CNCCC#N CUR-0024199 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.2 CNCCCN CUR-0101524 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.2 CNCCNC CUR-0001888 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.2 CNCCOC CUR-0101531 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.2 COCCC#N CUR-0101494 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.2 COCCCN CUR-0101530 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.2 COCCNN CUR-0018740 [0,0,0,0,0,0|4,0,0]=4 41 B5R0.2 COCCOC CUR-0026380 [0,0,0,0,0,0|4,0,0]=4 42 B4R0.2 C#CCCN CUR-0100609 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 C#CCCO CUR-0101442 [1,0,0,0,0,0|0,0,2]=3 44 B4R0.2 C(CBr)CBr CUR-0016721 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 C(CCl)C#N CUR-0025838 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 C(CCl)CBr CUR-0004377 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 C(CN)CBr CUR-0103678 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 C(CN)CCl CUR-0101958 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 C(CN)CN CUR-0101462 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.2 C(CN)CO CUR-0005687 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.2 C(CO)C#N CUR-0000520 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.2 C(CO)CCl CUR-0004180 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.2 C(CO)CO CUR-0007262 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.2 C(CO)NN CUR-0100819 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 C(CS)CS CUR-0006323 [1,0,0,0,0,0|1,1,0]=3 56 B4R0.2 C=CCCBr CUR-0002027 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.2 C=CCCI CUR-0000685 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.2 C=CCCO CUR-0101449 [1,0,0,0,0,0|0,0,2]=3 59 B4R0.2 CC#CCBr CUR-0102000 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.2 CCCC#N CUR-0101440 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.2 CCCC=O CUR-0100896 [1,0,0,0,0,0|0,0,2]=3 62 B4R0.2 CCCCBr CUR-0023794 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.2 CCCCCl CUR-0023945 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.2 CCCCI CUR-0001021 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.2 CCCCN CUR-0017800 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.2 CCCCN CUR-0101317 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.2 CCCCO CUR-0016718 [1,0,0,0,0,0|0,0,0]=1 68 B4R0.2 CCCNN CUR-0022831 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 CCN=C=O CUR-0101447 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.2 CCN=C=S CUR-0006416 [1,0,0,0,0,0|1,1,1]=4 71 B4R0.2 CCNCC CUR-0022731 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.2 CCNCC CUR-0101285 [1,0,0,0,0,0|1,0,0]=2 73 B4R0.2 CCOC=C CUR-0100764 [1,0,0,0,0,0|0,0,2]=3 74 B4R0.2 CCOC=O CUR-0010493 [1,0,0,0,0,0|0,0,2]=3 75 B4R0.2 CNCCI CUR-0017490 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 CNCCO CUR-0011813 [1,0,0,0,0,0|1,0,0]=2 77 B4R0.2 COCC#N CUR-0101446 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.2 COCCBr CUR-0009505 [1,0,0,0,0,0|1,0,0]=2 79 B4R0.2 COCCCl CUR-0000941 [1,0,0,0,0,0|1,0,0]=2 80 B4R0.2 COCCN CUR-0012344 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.2 COCCO CUR-0101466 [1,0,0,0,0,0|0,0,0]=1 82 B4R0.2 COCOC CUR-0101465 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 CSCCN CUR-0101544 [1,0,0,0,0,0|1,1,0]=3 84 B6R0.1 C(CN)C(CN)O CUR-0122282 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.1 CC(CCN)OC CUR-0122797 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.1 CCC(=O)OCC CUR-0101621 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.1 CCCC(C)C=O CUR-0101597 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.1 CCNC(=O)CCl CUR-0099539 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 CCOC(=O)C#C CUR-0101411 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.1 CCOC(=O)C#N CUR-0012085 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.1 CCOC(=O)C=C CUR-0027721 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.1 CCOC(=O)C=O CUR-0101612 [0,1,0,0,0,0|0,0,3]=4 93 B6R0.1 CCOC(=O)CBr CUR-0001682 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.1 CCOC(=O)CCl CUR-0015757 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.1 CCOC(=O)CF CUR-0101650 [0,1,0,0,0,0|1,0,1]=3 96 B6R0.1 CCOC(=O)CN CUR-0024509 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.1 CCOC(=O)CO CUR-0101638 [0,1,0,0,0,0|0,0,1]=2 98 B6R0.1 COC(=O)CCS CUR-0005277 [0,1,0,0,0,0|2,1,0]=4 99 B6R0.4 C(CC(=O)O)CN CUR-0010241 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.4 CC(=O)CCCCl CUR-0004280 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.4 CC(C)CCNN CUR-0019174 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.4 CC(C)CCON CUR-0153393 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.4 CC(C)NCC#C CUR-0075482 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.4 CC(C)NCCO CUR-0101633 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.4 CC(CCC#C)O CUR-0038064 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.4 CC(CCC#N)Br CUR-0049988 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.4 CCCCC(=O)C CUR-0101595 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.4 CCCCC(=O)Cl CUR-0101805 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.4 CCCCC(=O)O CUR-0101620 [0,1,0,0,0,0|1,0,1]=3 110 B6R0.4 CCOCC(=O)O CUR-0101637 [0,1,0,0,0,0|0,0,1]=2 111 B6R0.4 CN(C)CCCN CUR-0101628 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.4 CN(C)CCCO CUR-0020324 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.4 COCCC(=O)O CUR-0012995 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.6 C(CCBr)CCBr CUR-0024921 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.6 C(CCCl)CC#N CUR-0016906 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.6 C(CCCl)CCBr CUR-0005784 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.6 C(CCO)CCO CUR-0010266 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.6 C(CCl)NCCCl CUR-0014609 [0,1,0,0,0,0|2,0,0]=3 119 B6R0.6 C(CCl)OCCCl CUR-0102211 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.6 C(CN=[N+]=[N-])CO CUR-0005323 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.6 C(CNCCN)N CUR-0025488 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.6 C(CNCCO)N CUR-0101642 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.6 C(CO)NCCO CUR-0020204 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.6 C(COCCO)N CUR-0101647 [0,1,0,0,0,0|0,0,0]=1 125 B6R0.6 C(COCCO)O CUR-0012642 [0,1,0,0,0,0|0,0,0]=1 126 B6R0.6 C(CSCCO)O CUR-0101840 [0,1,0,0,0,0|0,1,0]=2 127 B6R0.6 CCCCCCBr CUR-0023541 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.6 CCCCCCC CUR-0101599 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.6 CCCCCCI CUR-0008970 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.6 CCCCCCN CUR-0100774 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.6 CCCCCCO CUR-0025713 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.6 CCCCNCC CUR-0101609 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.6 CCCCOC=C CUR-0002040 [0,1,0,0,0,0|1,0,2]=4 134 B6R0.6 CCCNCCC CUR-0008343 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.6 CCNCCC#N CUR-0021027 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.6 CCOCCCN CUR-0101632 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.6 CCO\C=C\C#N CUR-0101565 [0,1,0,0,0,0|1,0,2]=4 138 B6R0.6 CC\C=C\CCO CUR-0007913 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.6 CNCCCC#C CUR-0122249 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.6 CNCCCCN CUR-0156103 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.6 COCCN=C=O CUR-0101602 [0,1,0,0,0,0|2,0,1]=4 142 B6R1.1 C1CC=COC1 CUR-0027513 [0,0,0,1,0,0|1,0,2]=4 143 B6R1.1 C1CCC=CC1 CUR-0022869 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.1 C1CNCCN1 CUR-0027494 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.1 C1COCCN1 CUR-0027011 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.1 C1CSCCN1 CUR-0101634 [0,0,0,1,0,0|1,1,0]=3 147 B6R1.1 C1OCOCO1 CUR-0020355 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.2 C1CC(=O)OC1 CUR-0101496 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.2 C1CCC(=O)C1 CUR-0027028 [0,0,0,1,0,0|1,0,2]=4 150 B6R1.2 C1CCC(C1)Br CUR-0025546 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.2 C1CCC(C1)N CUR-0006172 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.2 C1CCC(C1)O CUR-0021370 [0,0,0,1,0,0|1,0,0]=2 153 B6R1.2 C1CNCC1O CUR-0101217 [0,0,0,1,0,0|1,0,0]=2 154 B6R1.2 C1CNC[C@@H]1O CUR-0101508 [0,0,0,1,0,0|1,0,0]=2 155 B6R1.2 C1COC(=O)N1 CUR-0101507 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.2 C1COCC1O CUR-0101518 [0,0,0,1,0,0|0,0,0]=1 157 B6R1.2 C1CSCC1=O CUR-0101623 [0,0,0,1,0,0|0,1,2]=4 158 B6R1.2 C1[C@H](CON1)O CUR-0120241 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.2 CN1CCCC1 CUR-0101495 [0,0,0,1,0,0|3,0,0]=4 160 B6R1.3 C1CC1CNN CUR-0028773 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.3 C1CC1CON CUR-0121722 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.3 CNCC1CC1 CUR-0090189 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.4 CC1CCC1N CUR-0163343 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.4 CC1CCC1O CUR-0090358 [0,0,0,1,0,0|1,0,0]=2 165 B6R1.6 C1CC(C1)CBr CUR-0003993 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.6 C1CC(C1)CO CUR-0022828 [0,0,0,1,0,0|1,0,0]=2 167 B6R1.6 C1CC(C1)NN CUR-0100630 [0,0,0,1,0,0|3,0,0]=4 168 B6R1.6 CNC1CCC1 CUR-0010771 [0,0,0,1,0,0|3,0,0]=4 169 B6R1.8 C=C1CC1CO CUR-0163362 [0,0,0,1,0,0|1,0,2]=4 170 B3R0.1 C#CCO CUR-0007009 [2,0,0,0,0,0|0,0,2]=4 171 B3R0.1 C(CBr)Br CUR-0000806 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.1 C(CBr)Cl CUR-0006161 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 C(CBr)N CUR-0103516 [2,0,0,0,0,0|2,0,0]=4 174 B3R0.1 C(CBr)O CUR-0021042 [2,0,0,0,0,0|1,0,0]=3 175 B3R0.1 C(CCl)N CUR-0015629 [2,0,0,0,0,0|2,0,0]=4 176 B3R0.1 C(CCl)O CUR-0101474 [2,0,0,0,0,0|1,0,0]=3 177 B3R0.1 C(CN)N CUR-0009355 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.1 C(CN)N CUR-0101207 [2,0,0,0,0,0|2,0,0]=4 179 B3R0.1 C(CN)N CUR-0101271 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.1 C(CO)N CUR-0010085 [2,0,0,0,0,0|1,0,0]=3 181 B3R0.1 C(CO)O CUR-0026540 [2,0,0,0,0,0|0,0,0]=2 182 B3R0.1 C(CS)N CUR-0000633 [2,0,0,0,0,0|1,1,0]=4 183 B3R0.1 C(CS)N CUR-0101235 [2,0,0,0,0,0|1,1,0]=4 184 B3R0.1 C(CS)O CUR-0013730 [2,0,0,0,0,0|0,1,0]=3 185 B3R0.1 C=CCO CUR-0101427 [2,0,0,0,0,0|0,0,2]=4 186 B3R0.1 CCC#N CUR-0100813 [2,0,0,0,0,0|1,0,1]=4 187 B3R0.1 CCC=O CUR-0015273 [2,0,0,0,0,0|0,0,2]=4 188 B3R0.1 CCCBr CUR-0028377 [2,0,0,0,0,0|1,0,0]=3 189 B3R0.1 CCCI CUR-0010202 [2,0,0,0,0,0|1,0,0]=3 190 B3R0.1 CCCN CUR-0000120 [2,0,0,0,0,0|1,0,0]=3 191 B3R0.1 CCCO CUR-0017382 [2,0,0,0,0,0|0,0,0]=2 192 B3R0.1 CCCS CUR-0009615 [2,0,0,0,0,0|0,1,0]=3 193 B3R0.1 CCNN CUR-0017500 [2,0,0,0,0,0|2,0,0]=4 194 B3R0.1 CNOC CUR-0015640 [2,0,0,0,0,0|1,0,0]=3 195 B3R0.1 COCCl CUR-0028317 [2,0,0,0,0,0|1,0,0]=3 196 B3R0.1 CSSC CUR-0101553 [2,0,0,0,0,0|1,1,0]=4 197 B5R0.1 C(CBr)C(=O)O CUR-0102453 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.1 C(CCl)C(=O)O CUR-0008480 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.1 C(CN)C(=O)O CUR-0006907 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.1 C(CS)C(=O)O CUR-0101651 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.1 CC(=O)COC CUR-0101516 [1,1,0,0,0,0|0,0,2]=4 202 B5R0.1 CC(C)CC#N CUR-0101228 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.1 CC(C)CC=O CUR-0101502 [1,1,0,0,0,0|0,0,2]=4 204 B5R0.1 CC(C)CCBr CUR-0002757 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.1 CC(C)CCN CUR-0101511 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.1 CC(C)CCO CUR-0003416 [1,1,0,0,0,0|0,0,0]=2 207 B5R0.1 CC(C)CNN CUR-0001046 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.1 CC(CCO)O CUR-0003759 [1,1,0,0,0,0|0,0,0]=2 209 B5R0.1 CC(COC)N CUR-0101532 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.1 CC(CSC)N CUR-0019523 [1,1,0,0,0,0|1,1,0]=4 211 B5R0.1 CCCC(=O)C CUR-0026599 [1,1,0,0,0,0|0,0,2]=4 212 B5R0.1 CCCC(=O)Cl CUR-0020308 [1,1,0,0,0,0|0,0,2]=4 213 B5R0.1 CCCC(=O)O CUR-0020198 [1,1,0,0,0,0|0,0,1]=3 214 B5R0.1 CCCC(C)O CUR-0023615 [1,1,0,0,0,0|0,0,0]=2 215 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.1 CCOC(=O)C CUR-0101519 [1,1,0,0,0,0|0,0,1]=3 217 B5R0.1 CCOC(=O)Cl CUR-0026181 [1,1,0,0,0,0|0,0,2]=4 218 B5R0.1 CCOC(=O)N CUR-0100824 [1,1,0,0,0,0|0,0,2]=4 219 B5R0.1 CN(C)CCCl CUR-0017041 [1,1,0,0,0,0|2,0,0]=4 220 B5R0.1 CN(C)CCN CUR-0101525 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.1 CN(C)CCO CUR-0019188 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.1 CNCC(=O)O CUR-0018005 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.1 COCC(=O)Cl CUR-0101665 [1,1,0,0,0,0|0,0,2]=4 224 B5R0.1 COCC(=O)O CUR-0014449 [1,1,0,0,0,0|0,0,1]=3 225 B5R0.1 CSCC(=O)O CUR-0025987 [1,1,0,0,0,0|0,1,1]=4 226 B5R0.3 C(C(CO)O)O CUR-0012902 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.3 CC(CO)CO CUR-0101538 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.3 CCC(=O)CC CUR-0101500 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.3 CCC(C)CO CUR-0101523 [1,1,0,0,0,0|0,0,0]=2 230 B5R0.3 CCC(C)NN CUR-0004060 [1,1,0,0,0,0|2,0,0]=4 231 B5R0.3 CCC(CC)Br CUR-0020873 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.3 CCC(CO)N CUR-0101528 [1,1,0,0,0,0|0,0,0]=2 233 B5R0.3 CC\C(=N/O)\N CUR-0010533 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.3 COC(=N)CCl CUR-0101034 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.3 COC(=O)CBr CUR-0102451 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.3 COC(=O)CCl CUR-0019510 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.3 COC(=O)CN CUR-0016914 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.3 COC(=O)CO CUR-0101535 [1,1,0,0,0,0|0,0,1]=3 239 B5R0.3 COC(=O)CS CUR-0014981 [1,1,0,0,0,0|0,1,1]=4 240 B7R0.2 CC(C)OC(=O)CCl CUR-0013704 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.2 CN(C)CC(CO)N CUR-0048488 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.2 CN(C)CC(CO)N CUR-0163315 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.3 CCCOC(=O)CCl CUR-0101322 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.3 CCOCC(CN)O CUR-0096148 [0,2,0,0,0,0|0,0,0]=2 246 B7R0.3 CNC(=O)OCCO CUR-0053764 [0,2,0,0,0,0|0,0,1]=3 247 B7R0.3 COCCC(=O)OC CUR-0101774 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.5 CCCC(C)C(C)N CUR-0034233 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.5 CCOC(=O)C(C)Br CUR-0103087 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.5 CCOC(=O)C(F)F CUR-0007059 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.7 CCCC(=O)OCC CUR-0005973 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.7 CCOC(=O)CC#N CUR-0025194 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.7 CCOC(=O)CCBr CUR-0103086 [0,2,0,0,0,0|1,0,0]=3 255 B7R0.7 CCOC(=O)CCCl CUR-0017965 [0,2,0,0,0,0|1,0,0]=3 256 B7R0.7 CCOC(=O)CNN CUR-0022001 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.7 CCOC(=O)C[N+]#[C-] CUR-0023815 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.7 CCOC(=O)OCC CUR-0003960 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.7 CCOC(C)OCC CUR-0008227 [0,2,0,0,0,0|1,0,0]=3 260 B7R0.7 CCOP(=O)OCC CUR-0027645 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.7 COCC(CCO)N CUR-0020087 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.7 CSCC(CCO)N CUR-0018604 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.10 C([C@H]([C@H](CO)O)O)O CUR-0163306 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.10 COC(=O)C(CO)N CUR-0010591 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.11 CCS(=O)(=O)CCN CUR-0098565 [0,2,0,0,0,0|1,1,0]=4 266 B7R0.12 CCN(CC)CCBr CUR-0001629 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.12 CCN(CC)CCCl CUR-0102890 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.12 CCN(CC)CCN CUR-0101764 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.12 CCN(CC)CCO CUR-0014383 [0,2,0,0,0,0|1,0,0]=3 270 B7R0.12 CCN(CC)CCS CUR-0023512 [0,2,0,0,0,0|1,1,0]=4 271 B7R0.4 C(CCBr)CC(=O)O CUR-0103088 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.4 C(CCN)CC(=O)O CUR-0018281 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.4 C=CCOCC(=O)O CUR-0014777 [0,2,0,0,0,0|0,0,2]=4 274 B7R0.4 CC(C)OCCCN CUR-0101773 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.4 CC(C)OCCCO CUR-0010579 [0,2,0,0,0,0|0,0,0]=2 276 B7R0.4 CCCCOC(=O)C CUR-0026180 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.8 CC(C)(C)OCCO CUR-0101780 [0,2,0,0,0,0|0,0,0]=2 278 B7R0.1 C(CCCBr)CCBr CUR-0100760 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.1 C(CCCCl)CCO CUR-0102083 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.1 C(CCCN)CCN CUR-0022953 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.1 C(CCCO)CCN CUR-0101772 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.1 C(CNCCO)CO CUR-0027567 [0,2,0,0,0,0|1,0,0]=3 283 B7R0.1 CCCCCCC=O CUR-0101726 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.1 CCCCCCCBr CUR-0012025 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.1 CCCCCCCC CUR-0101732 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.1 CCCCCCCI CUR-0002481 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.1 CCCCCCCO CUR-0012442 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.1 CCNCCNCC CUR-0019308 [0,2,0,0,0,0|2,0,0]=4 289 B5R1.1 C1C=CCO1 CUR-0017724 [1,0,0,1,0,0|0,0,2]=4 290 B5R1.1 C1CCNC1 CUR-0027320 [1,0,0,1,0,0|1,0,0]=3 291 B5R1.1 C1COC=C1 CUR-0023942 [1,0,0,1,0,0|0,0,2]=4 292 B5R1.2 C1C(CN1)O CUR-0015234 [1,0,0,1,0,0|1,0,0]=3 293 B5R1.2 C1C(CO1)O CUR-0028981 [1,0,0,1,0,0|0,0,0]=2 294 B5R1.2 C1CC(=O)C1 CUR-0005686 [1,0,0,1,0,0|0,0,2]=4 295 B5R1.2 C1CC(C1)Br CUR-0102047 [1,0,0,1,0,0|1,0,0]=3 296 B5R1.2 C1CC(C1)O CUR-0029256 [1,0,0,1,0,0|0,0,0]=2 297 B5R1.3 C1C(O1)CCl CUR-0004573 [1,0,0,1,0,0|1,0,0]=3 298 B5R1.3 C1C(O1)CO CUR-0011597 [1,0,0,1,0,0|0,0,0]=2 299 B5R1.3 C1CC1C#N CUR-0028789 [1,0,0,1,0,0|1,0,1]=4 300 B5R1.3 C1CC1C=O CUR-0016286 [1,0,0,1,0,0|0,0,2]=4 301 B5R1.3 C1CC1CBr CUR-0015213 [1,0,0,1,0,0|1,0,0]=3 302 B5R1.3 C1CC1CN CUR-0019694 [1,0,0,1,0,0|1,0,0]=3 303 B5R1.3 C1CC1CO CUR-0016442 [1,0,0,1,0,0|0,0,0]=2 304 B7R1.1 C1CC(OC1)CBr CUR-0102737 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.1 C1CC(OC1)CCl CUR-0000752 [0,1,0,1,0,0|1,0,0]=3 306 B7R1.1 C1CC(OC1)CN CUR-0022405 [0,1,0,1,0,0|1,0,0]=3 307 B7R1.1 C1CC(OC1)CO CUR-0021816 [0,1,0,1,0,0|0,0,0]=2 308 B7R1.1 C1CCC(C1)C#N CUR-0101264 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.1 C1CCC(C1)CBr CUR-0005007 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.1 C1CCC(C1)CN CUR-0013562 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.1 C1CCC(C1)CO CUR-0114427 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.1 C1CCC(C1)NN CUR-0100745 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.1 C1CNCC1CF CUR-0122530 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.1 C1COC(O1)CBr CUR-0102803 [0,1,0,1,0,0|0,0,0]=2 315 B7R1.1 C1COCC1C#N CUR-0018666 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.1 C1COCC1C=O CUR-0082585 [0,1,0,1,0,0|0,0,1]=3 317 B7R1.1 C1COCC1CBr CUR-0003563 [0,1,0,1,0,0|1,0,0]=3 318 B7R1.1 C1COCC1CI CUR-0015713 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.1 C1COCC1CN CUR-0021455 [0,1,0,1,0,0|1,0,0]=3 320 B7R1.1 C1COCC1CO CUR-0101139 [0,1,0,1,0,0|0,0,0]=2 321 B7R1.1 CCC1=NCCO1 CUR-0101578 [0,1,0,1,0,0|1,0,0]=3 322 B7R1.1 CNC1CCCC1 CUR-0011121 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.1 CNC1CCOC1 CUR-0020484 [0,1,0,1,0,0|1,0,0]=3 324 B7R1.1 CSC1CCNC1 CUR-0121753 [0,1,0,1,0,0|1,1,0]=4 325 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.2 CC1COC(=O)O1 CUR-0101613 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.3 C1CC(CNC1)O CUR-0101604 [0,1,0,1,0,0|1,0,0]=3 328 B7R1.3 C1CC(COC1)N CUR-0090441 [0,1,0,1,0,0|1,0,0]=3 329 B7R1.3 C1CCC(=O)CC1 CUR-0013382 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.3 C1CCC(CC1)Br CUR-0027491 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.3 C1CCC(CC1)N CUR-0004167 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.3 C1CCC(CC1)O CUR-0020069 [0,1,0,1,0,0|1,0,0]=3 333 B7R1.3 C1CNCCC1=O CUR-0009294 [0,1,0,1,0,0|1,0,1]=4 334 B7R1.3 C1CNCCC1=O CUR-0102475 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.3 C1CNCCC1O CUR-0021573 [0,1,0,1,0,0|1,0,0]=3 336 B7R1.3 C1COCC(=O)N1 CUR-0014967 [0,1,0,1,0,0|0,0,2]=4 337 B7R1.3 C1COCCC1=O CUR-0001478 [0,1,0,1,0,0|0,0,1]=3 338 B7R1.3 C1COCCC1O CUR-0101618 [0,1,0,1,0,0|0,0,0]=2 339 B7R1.3 C1COCCN1N CUR-0101622 [0,1,0,1,0,0|1,0,0]=3 340 B7R1.3 C1CSCCC1=O CUR-0005576 [0,1,0,1,0,0|0,1,1]=4 341 B7R1.3 C1CSCCC1N CUR-0026582 [0,1,0,1,0,0|1,1,0]=4 342 B7R1.3 CC1CCCCN1 CUR-0101581 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.3 CC1CCCNC1 CUR-0013551 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.3 CC1CCNCC1 CUR-0000849 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.3 CC1CNCCN1 CUR-0101598 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.3 CN1CCNCC1 CUR-0017087 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.3 CN1CCOCC1 CUR-0027520 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.4 C1CC(C(C1)F)O CUR-0014122 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.4 C1COC(=O)C1Br CUR-0012154 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.6 CCNC1CCC1 CUR-0028770 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.22 C1CC1C(CN)O CUR-0022173 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.25 CC1(COC1)CO CUR-0022359 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.7 C1CC1NCCO CUR-0001656 [0,1,0,1,0,0|1,0,0]=3 354 B7R1.7 C1CC1OCCCl CUR-0010646 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.7 CCOCC1CO1 CUR-0006249 [0,1,0,1,0,0|0,0,0]=2 356 B7R1.12 CC1CC1C(=O)O CUR-0100917 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.14 CC1(CCCN1)C CUR-0020922 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.14 CC1(COCN1)C CUR-0101605 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [0,1,0,1,0,0|1,0,1]=4 360 B7R1.18 C1CNC1C(=O)O CUR-0081896 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.20 C1CC1CC(=O)O CUR-0101588 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.24 C1CCCNCC1 CUR-0020867 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.24 C1CNCCNC1 CUR-0010052 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.24 C1CNCCOC1 CUR-0101276 [0,1,0,1,0,0|1,0,0]=3 365 B7R2.13 C1C2C(O2)CO1 CUR-0101497 [0,0,0,2,0,0|0,0,0]=2 366 B7R2.13 C1CC2C(C1)O2 CUR-0001673 [0,0,0,2,0,0|1,0,0]=3 367 B7R2.13 C1CNC2C1C2 CUR-0015592 [0,0,0,2,0,0|2,0,0]=4