0 B5R0.2 C#CCCCO CUR-0101486 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C#CCN=C=O CUR-0021951 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 C(CC#N)C#N CUR-0101473 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C(CC#N)CCl CUR-0000109 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C(CC#N)CO CUR-0020823 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C(CCBr)CBr CUR-0026189 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 C(CCBr)CCl CUR-0000065 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 C(CCCl)CO CUR-0025105 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.2 C(CCN)CN CUR-0016745 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.2 C(CCO)CO CUR-0024794 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.2 C(CCS)CN CUR-0119579 [0,0,0,0,0,0|1,1,1]=3 11 B5R0.2 C(CCl)N=C=O CUR-0029062 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.2 C=CCCCN CUR-0089890 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 C=CCN=C=S CUR-0101580 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.2 CC#CCCN CUR-0091824 [0,0,0,0,0,0|1,0,3]=4 15 B5R0.2 CCCCC#N CUR-0002776 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.2 CCCCC=O CUR-0020580 [0,0,0,0,0,0|0,0,0]=0 17 B5R0.2 CCCCCBr CUR-0020920 [0,0,0,0,0,0|1,0,1]=2 18 B5R0.2 CCCCCI CUR-0007389 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.2 CCCCCN CUR-0101510 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.2 CCCCCO CUR-0018736 [0,0,0,0,0,0|0,0,2]=2 21 B5R0.2 CCCCNC CUR-0101509 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.2 CCCN=C=O CUR-0101493 [0,0,0,0,0,0|1,0,1]=2 23 B5R0.2 CCNCCCl CUR-0137711 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.2 CCNCCO CUR-0101534 [0,0,0,0,0,0|1,0,2]=3 25 B5R0.2 CCOCCBr CUR-0026041 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.2 CCOCCO CUR-0010841 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.2 CCO\C=C\C CUR-0101289 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.2 CC\C=C/C#N CUR-0101476 [0,0,0,0,0,0|1,0,3]=4 29 B5R0.2 CC\C=C/CO CUR-0101504 [0,0,0,0,0,0|0,0,4]=4 30 B5R0.2 CNCCC#C CUR-0041404 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.2 CNCCC#N CUR-0024199 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.2 CNCCCN CUR-0101524 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.2 CNCCNC CUR-0001888 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.2 CNCCOC CUR-0101531 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.2 COCCC#N CUR-0101494 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.2 COCCCN CUR-0101530 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.2 COCCNN CUR-0018740 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.2 COCCOC CUR-0026380 [0,0,0,0,0,0|3,0,0]=3 39 B4R0.2 C#CCCN CUR-0100609 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.2 C#CCCO CUR-0101442 [1,0,0,0,0,0|0,0,3]=4 41 B4R0.2 C(CBr)CBr CUR-0016721 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.2 C(CCl)C#N CUR-0025838 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 C(CCl)CBr CUR-0004377 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 C(CN)CBr CUR-0103678 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 C(CN)CCl CUR-0101958 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 C(CN)CN CUR-0101462 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 C(CN)CO CUR-0005687 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.2 C(CO)C#N CUR-0000520 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 C(CO)CCl CUR-0004180 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.2 C(CO)CO CUR-0007262 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.2 C(CO)NN CUR-0100819 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 C(CS)CS CUR-0006323 [1,0,0,0,0,0|1,1,0]=3 53 B4R0.2 C=CCC#N CUR-0014589 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 C=CCCBr CUR-0002027 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.2 C=CCCI CUR-0000685 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.2 C=CCCO CUR-0101449 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.2 C=CCNN CUR-0101265 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 C=CCNN CUR-0122500 [1,0,0,0,0,0|2,0,1]=4 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|0,0,0]=1 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|0,0,1]=2 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|1,0,1]=3 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|1,0,1]=3 72 B4R0.2 CCNCC CUR-0101285 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.2 CCOC=C CUR-0100764 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.2 CCOC=O CUR-0010493 [1,0,0,0,0,0|1,0,0]=2 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|1,0,1]=3 77 B4R0.2 COCC#N CUR-0101446 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 COCCBr CUR-0009505 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 COCCCl CUR-0000941 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.2 COCCN CUR-0012344 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.2 COCCO CUR-0101466 [1,0,0,0,0,0|1,0,1]=3 82 B4R0.2 COCOC CUR-0101465 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.2 CSCCN CUR-0101544 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 C\C=C\C=O CUR-0001472 [1,0,0,0,0,0|0,0,2]=3 85 B6R0.1 C(CN)C(CN)O CUR-0122282 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 CC(CCN)OC CUR-0122797 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.1 CC(CSC)NC CUR-0022342 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.1 CCCC(C)C=O CUR-0101597 [0,1,0,0,0,0|0,0,0]=1 89 B6R0.1 CCOC(=O)C=C CUR-0027721 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.1 CCOC(=O)C=O CUR-0101612 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.4 C(CC(=O)O)CN CUR-0010241 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.4 C(CNC(=O)N)N CUR-0013187 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.4 C=CCCC(=O)O CUR-0101586 [0,1,0,0,0,0|0,0,2]=3 96 B6R0.4 CC(=O)CCCCl CUR-0004280 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.4 CC(C)CCNN CUR-0019174 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.4 CC(C)CCON CUR-0153393 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.4 CC(C)CN=C=O CUR-0095337 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.4 CC(C)NCC#C CUR-0075482 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.4 CC(C)NCCO CUR-0101633 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.4 CC(CCC#C)O CUR-0038064 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.4 CC(CCC#N)Br CUR-0049988 [0,1,0,0,0,0|1,0,1]=3 104 B6R0.4 CCCCC(=O)C CUR-0101595 [0,1,0,0,0,0|0,0,0]=1 105 B6R0.4 CCCCC(=O)Cl CUR-0101805 [0,1,0,0,0,0|0,0,0]=1 106 B6R0.4 CCCCC(=O)O CUR-0101620 [0,1,0,0,0,0|0,0,0]=1 107 B6R0.4 CCOCC(=O)O CUR-0101637 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.4 CN(C)CCC#N CUR-0021460 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.4 CN(C)CCCN CUR-0101628 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.4 CN(C)CCCO CUR-0020324 [0,1,0,0,0,0|1,0,2]=4 111 B6R0.4 CN(C)CCNN CUR-0009172 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.4 COCCC(=O)O CUR-0012995 [0,1,0,0,0,0|1,0,0]=2 113 B6R0.6 C(CC#N)CC#N CUR-0029742 [0,1,0,0,0,0|1,0,2]=4 114 B6R0.6 C(CC=O)CC=O CUR-0101590 [0,1,0,0,0,0|0,0,1]=2 115 B6R0.6 C(CCBr)CCBr CUR-0024921 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.6 C(CCCl)CC#N CUR-0016906 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.6 C(CCCl)CCBr CUR-0005784 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.6 C(CCO)CCO CUR-0010266 [0,1,0,0,0,0|0,0,2]=3 119 B6R0.6 C(CCl)NCCCl CUR-0014609 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.6 C(CCl)OCCCl CUR-0102211 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.6 C(CN=[N+]=[N-])CO CUR-0005323 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.6 C(CNCCN)N CUR-0025488 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.6 C(CNCCO)N CUR-0101642 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.6 C(CO)NCCO CUR-0020204 [0,1,0,0,0,0|1,0,2]=4 125 B6R0.6 C(COCCO)N CUR-0101647 [0,1,0,0,0,0|1,0,2]=4 126 B6R0.6 C(COCCO)O CUR-0012642 [0,1,0,0,0,0|1,0,2]=4 127 B6R0.6 C(CSCCO)O CUR-0101840 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.6 C=CCNCC=C CUR-0101567 [0,1,0,0,0,0|1,0,2]=4 129 B6R0.6 CCCCCCBr CUR-0023541 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.6 CCCCCCC CUR-0101599 [0,1,0,0,0,0|1,0,1]=3 131 B6R0.6 CCCCCCI CUR-0008970 [0,1,0,0,0,0|1,0,1]=3 132 B6R0.6 CCCCCCN CUR-0100774 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.6 CCCCCCO CUR-0025713 [0,1,0,0,0,0|0,0,2]=3 134 B6R0.6 CCCCNCC CUR-0101609 [0,1,0,0,0,0|1,0,1]=3 135 B6R0.6 CCCCOC=C CUR-0002040 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.6 CCCNCCC CUR-0008343 [0,1,0,0,0,0|1,0,1]=3 137 B6R0.6 CCNCCC#N CUR-0021027 [0,1,0,0,0,0|1,0,1]=3 138 B6R0.6 CCOCCCN CUR-0101632 [0,1,0,0,0,0|1,0,1]=3 139 B6R0.6 CCO\C=C\C#N CUR-0101565 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.6 CC\C=C\CCO CUR-0007913 [0,1,0,0,0,0|0,0,3]=4 141 B6R0.6 CNCCCC#C CUR-0122249 [0,1,0,0,0,0|1,0,1]=3 142 B6R0.6 CNCCCCN CUR-0156103 [0,1,0,0,0,0|1,0,1]=3 143 B6R0.6 COCCN=C=O CUR-0101602 [0,1,0,0,0,0|1,0,1]=3 144 B6R1.1 C1CC=COC1 CUR-0027513 [0,0,0,1,0,0|0,0,2]=3 145 B6R1.1 C1CCC=CC1 CUR-0022869 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.1 C1CNCCN1 CUR-0027494 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.1 C1COCCN1 CUR-0027011 [0,0,0,1,0,0|1,0,2]=4 148 B6R1.1 C1CSCCN1 CUR-0101634 [0,0,0,1,0,0|1,1,1]=4 149 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [0,0,0,1,0,0|0,0,2]=3 150 B6R1.2 C1CC(=O)NC1 CUR-0017206 [0,0,0,1,0,0|1,0,0]=2 151 B6R1.2 C1CC(=O)OC1 CUR-0101496 [0,0,0,1,0,0|1,0,0]=2 152 B6R1.2 C1CCC(=O)C1 CUR-0027028 [0,0,0,1,0,0|0,0,0]=1 153 B6R1.2 C1CCC(C1)Br CUR-0025546 [0,0,0,1,0,0|1,0,1]=3 154 B6R1.2 C1CCC(C1)N CUR-0006172 [0,0,0,1,0,0|1,0,1]=3 155 B6R1.2 C1CCC(C1)O CUR-0021370 [0,0,0,1,0,0|0,0,2]=3 156 B6R1.2 C1CNC(=O)N1 CUR-0017995 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.2 C1CNC(=O)N1 CUR-0101499 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 C1CNC(=S)N1 CUR-0101624 [0,0,0,1,0,0|2,1,0]=4 159 B6R1.2 C1CNCC1O CUR-0101217 [0,0,0,1,0,0|1,0,2]=4 160 B6R1.2 C1CNC[C@@H]1O CUR-0101508 [0,0,0,1,0,0|1,0,2]=4 161 B6R1.2 C1COC(=O)N1 CUR-0101507 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.2 C1COCC1O CUR-0101518 [0,0,0,1,0,0|1,0,2]=4 163 B6R1.2 C1CSC(=N)N1 CUR-0101395 [0,0,0,1,0,0|3,0,0]=4 164 B6R1.2 C1CSC(=N1)N CUR-0013303 [0,0,0,1,0,0|3,0,0]=4 165 B6R1.2 C1CSC(=N1)N CUR-0101202 [0,0,0,1,0,0|3,0,0]=4 166 B6R1.2 C1CSC(=N1)S CUR-0101794 [0,0,0,1,0,0|2,1,0]=4 167 B6R1.2 C1CSCC1=O CUR-0101623 [0,0,0,1,0,0|1,0,0]=2 168 B6R1.2 CN1CCCC1 CUR-0101495 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.3 C1CC1CNN CUR-0028773 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.3 C1CC1CON CUR-0121722 [0,0,0,1,0,0|2,0,0]=3 171 B6R1.3 C1CC1N=C=O CUR-0027996 [0,0,0,1,0,0|1,0,1]=3 172 B6R1.3 CNCC1CC1 CUR-0090189 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.4 CC1CCC1N CUR-0163343 [0,0,0,1,0,0|1,0,1]=3 174 B6R1.4 CC1CCC1O CUR-0090358 [0,0,0,1,0,0|0,0,2]=3 175 B6R1.6 C1CC(C1)CBr CUR-0003993 [0,0,0,1,0,0|1,0,1]=3 176 B6R1.6 C1CC(C1)CO CUR-0022828 [0,0,0,1,0,0|0,0,2]=3 177 B6R1.6 C1CC(C1)NN CUR-0100630 [0,0,0,1,0,0|2,0,0]=3 178 B6R1.6 CNC1CCC1 CUR-0010771 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.6 CSC1CNC1 CUR-0120936 [0,0,0,1,0,0|3,0,0]=4 180 B6R1.8 C=C1CC1CO CUR-0163362 [0,0,0,1,0,0|2,0,0]=3 181 B3R0.1 C(=O)C=O CUR-0024623 [2,0,0,0,0,0|1,0,1]=4 182 B3R0.1 C(=O)NN CUR-0101193 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.1 C(C=O)Cl CUR-0018990 [2,0,0,0,0,0|1,0,0]=3 184 B3R0.1 C(CBr)Br CUR-0000806 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 C(CBr)Cl CUR-0006161 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.1 C(CBr)N CUR-0103516 [2,0,0,0,0,0|2,0,0]=4 187 B3R0.1 C(CBr)O CUR-0021042 [2,0,0,0,0,0|1,0,1]=4 188 B3R0.1 C(CCl)N CUR-0015629 [2,0,0,0,0,0|2,0,0]=4 189 B3R0.1 C(CCl)O CUR-0101474 [2,0,0,0,0,0|1,0,1]=4 190 B3R0.1 C(CN)N CUR-0009355 [2,0,0,0,0,0|2,0,0]=4 191 B3R0.1 C(CN)N CUR-0101207 [2,0,0,0,0,0|2,0,0]=4 192 B3R0.1 C(CN)N CUR-0101271 [2,0,0,0,0,0|2,0,0]=4 193 B3R0.1 C(CO)N CUR-0010085 [2,0,0,0,0,0|1,0,1]=4 194 B3R0.1 C(CO)O CUR-0026540 [2,0,0,0,0,0|1,0,1]=4 195 B3R0.1 C(CS)N CUR-0000633 [2,0,0,0,0,0|1,1,0]=4 196 B3R0.1 C(CS)N CUR-0101235 [2,0,0,0,0,0|1,1,0]=4 197 B3R0.1 C(CS)O CUR-0013730 [2,0,0,0,0,0|1,0,1]=4 198 B3R0.1 C=CCBr CUR-0014802 [2,0,0,0,0,0|1,0,1]=4 199 B3R0.1 C=CCCl CUR-0002102 [2,0,0,0,0,0|1,0,1]=4 200 B3R0.1 C=CCI CUR-0024817 [2,0,0,0,0,0|1,0,1]=4 201 B3R0.1 C=CCN CUR-0009493 [2,0,0,0,0,0|1,0,1]=4 202 B3R0.1 C=CCO CUR-0101427 [2,0,0,0,0,0|1,0,1]=4 203 B3R0.1 CCC#N CUR-0100813 [2,0,0,0,0,0|1,0,1]=4 204 B3R0.1 CCC=O CUR-0015273 [2,0,0,0,0,0|0,0,0]=2 205 B3R0.1 CCCBr CUR-0028377 [2,0,0,0,0,0|1,0,0]=3 206 B3R0.1 CCCI CUR-0010202 [2,0,0,0,0,0|1,0,0]=3 207 B3R0.1 CCCN CUR-0000120 [2,0,0,0,0,0|1,0,0]=3 208 B3R0.1 CCCO CUR-0017382 [2,0,0,0,0,0|0,0,1]=3 209 B3R0.1 CCCS CUR-0009615 [2,0,0,0,0,0|0,1,0]=3 210 B3R0.1 CCNN CUR-0017500 [2,0,0,0,0,0|2,0,0]=4 211 B3R0.1 CNC=O CUR-0012781 [2,0,0,0,0,0|1,0,0]=3 212 B3R0.1 CNOC CUR-0015640 [2,0,0,0,0,0|2,0,0]=4 213 B3R0.1 COCCl CUR-0028317 [2,0,0,0,0,0|2,0,0]=4 214 B3R0.1 CSSC CUR-0101553 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.1 C(C#N)C(=O)N CUR-0015106 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.1 C(C#N)C(=O)O CUR-0011506 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.1 C(CBr)C(=O)O CUR-0102453 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.1 C(CCl)C(=O)O CUR-0008480 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.1 C(CN)C(=O)O CUR-0006907 [1,1,0,0,0,0|1,0,0]=3 221 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.1 C(CS)C(=O)O CUR-0101651 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.1 CC(=O)COC CUR-0101516 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.1 CC(C)CC#N CUR-0101228 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.1 CC(C)CC=O CUR-0101502 [1,1,0,0,0,0|0,0,0]=2 226 B5R0.1 CC(C)CCBr CUR-0002757 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.1 CC(C)CCN CUR-0101511 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.1 CC(C)CCO CUR-0003416 [1,1,0,0,0,0|0,0,1]=3 229 B5R0.1 CC(C)CNN CUR-0001046 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.1 CC(C)N=C=O CUR-0101492 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.1 CC(CCO)O CUR-0003759 [1,1,0,0,0,0|0,0,1]=3 232 B5R0.1 CC(COC)N CUR-0101532 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.1 CC(CSC)N CUR-0019523 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.1 CCCC(=O)C CUR-0026599 [1,1,0,0,0,0|0,0,0]=2 235 B5R0.1 CCCC(=O)Cl CUR-0020308 [1,1,0,0,0,0|0,0,0]=2 236 B5R0.1 CCCC(=O)O CUR-0020198 [1,1,0,0,0,0|0,0,0]=2 237 B5R0.1 CCCC(C)O CUR-0023615 [1,1,0,0,0,0|0,0,1]=3 238 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.1 CCOC(=O)C CUR-0101519 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.1 CCOC(=O)Cl CUR-0026181 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.1 CCOC(=O)N CUR-0100824 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.1 CN(C)CCCl CUR-0017041 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.1 CN(C)CCN CUR-0101525 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.1 CN(C)CCO CUR-0019188 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.1 CNCC(=O)O CUR-0018005 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.1 COCC(=O)Cl CUR-0101665 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.1 COCC(=O)O CUR-0014449 [1,1,0,0,0,0|1,0,0]=3 248 B5R0.1 CSCC(=N)N CUR-0100998 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.1 CSCC(=O)O CUR-0025987 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.1 C\C=C\C(=O)O CUR-0100765 [1,1,0,0,0,0|0,0,2]=4 251 B5R0.3 C(C(CO)O)O CUR-0012902 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.3 CC(CO)CO CUR-0101538 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.3 CCC(=O)CC CUR-0101500 [1,1,0,0,0,0|0,0,2]=4 254 B5R0.3 CCC(C)CO CUR-0101523 [1,1,0,0,0,0|0,0,1]=3 255 B5R0.3 CCC(C)NN CUR-0004060 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.3 CCC(CC)Br CUR-0020873 [1,1,0,0,0,0|0,0,1]=3 257 B5R0.3 CCC(CO)N CUR-0101528 [1,1,0,0,0,0|0,0,1]=3 258 B7R0.2 CC(=O)CC(=O)OC CUR-0018522 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [0,2,0,0,0,0|0,0,0]=2 261 B7R0.3 CCCNC(=O)CCl CUR-0099537 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.3 CCCOC(=O)CCl CUR-0101322 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.3 CCOCC(CN)O CUR-0096148 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.3 CNC(=O)OCCO CUR-0053764 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.3 COC(=O)CCCN CUR-0008398 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.3 COCCC(=O)OC CUR-0101774 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [0,2,0,0,0,0|0,0,0]=2 269 B7R0.5 CCCC(C)C(C)N CUR-0034233 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.5 CCOC(=O)C(=O)C CUR-0021376 [0,2,0,0,0,0|1,0,1]=4 271 B7R0.5 CCOC(=O)C(=O)Cl CUR-0102081 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.5 CCOC(=O)C(=O)N CUR-0013418 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.7 CC(COC)N=C=O CUR-0098998 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.7 COCC(CCO)N CUR-0020087 [0,2,0,0,0,0|0,0,2]=4 275 B7R0.7 CSCC(CCO)N CUR-0018604 [0,2,0,0,0,0|0,0,2]=4 276 B7R0.4 C#CCNCC(=O)O CUR-0123529 [0,2,0,0,0,0|0,0,2]=4 277 B7R0.4 C(CCBr)CC(=O)O CUR-0103088 [0,2,0,0,0,0|0,0,0]=2 278 B7R0.4 C(CCN)CC(=O)O CUR-0018281 [0,2,0,0,0,0|0,0,0]=2 279 B7R0.4 C(CN=[N+]=[N-])C(=O)O CUR-0027706 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.4 C=CCOCC(=O)O CUR-0014777 [0,2,0,0,0,0|0,0,2]=4 281 B7R0.4 CC(C)OCCCN CUR-0101773 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.4 CC(C)OCCCO CUR-0010579 [0,2,0,0,0,0|0,0,2]=4 283 B7R0.4 CCCCNC(=O)N CUR-0101762 [0,2,0,0,0,0|0,0,0]=2 284 B7R0.4 CCCCOC(=O)C CUR-0026180 [0,2,0,0,0,0|0,0,0]=2 285 B7R0.4 CN(C)CCN=C=O CUR-0000295 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.6 C(CC(=O)O)C(=O)O CUR-0014664 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [0,2,0,0,0,0|0,0,1]=3 288 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [0,2,0,0,0,0|0,0,1]=3 289 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.6 CC(=O)OCC(=O)Cl CUR-0102082 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.8 C(CS(=O)(=O)Cl)CCl CUR-0013047 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.8 CCCCS(=O)(=O)Cl CUR-0102553 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.8 CS(=O)(=O)CCCBr CUR-0028536 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.1 C(CCC#N)CC#N CUR-0101663 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.1 C(CCCBr)CCBr CUR-0100760 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.1 C(CCCCl)CCO CUR-0102083 [0,2,0,0,0,0|0,0,2]=4 298 B7R0.1 C(CCCN)CCN CUR-0022953 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.1 C(CCCO)CCN CUR-0101772 [0,2,0,0,0,0|0,0,2]=4 300 B7R0.1 C(CNCCO)CO CUR-0027567 [0,2,0,0,0,0|0,0,2]=4 301 B7R0.1 CCCCCCC=O CUR-0101726 [0,2,0,0,0,0|0,0,0]=2 302 B7R0.1 CCCCCCCBr CUR-0012025 [0,2,0,0,0,0|1,0,1]=4 303 B7R0.1 CCCCCCCC CUR-0101732 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.1 CCCCCCCI CUR-0002481 [0,2,0,0,0,0|1,0,1]=4 305 B7R0.1 CCCCCCCO CUR-0012442 [0,2,0,0,0,0|0,0,2]=4 306 B7R0.1 CCNCCNCC CUR-0019308 [0,2,0,0,0,0|1,0,1]=4 307 B5R1.1 C1C=CCO1 CUR-0017724 [1,0,0,1,0,0|1,0,1]=4 308 B5R1.1 C1CCNC1 CUR-0027320 [1,0,0,1,0,0|1,0,0]=3 309 B5R1.1 C1COC=C1 CUR-0023942 [1,0,0,1,0,0|0,0,2]=4 310 B5R1.2 C1C(CN1)O CUR-0015234 [1,0,0,1,0,0|1,0,1]=4 311 B5R1.2 C1C(CO1)O CUR-0028981 [1,0,0,1,0,0|1,0,1]=4 312 B5R1.2 C1CC(=O)C1 CUR-0005686 [1,0,0,1,0,0|0,0,0]=2 313 B5R1.2 C1CC(C1)Br CUR-0102047 [1,0,0,1,0,0|1,0,0]=3 314 B5R1.2 C1CC(C1)O CUR-0029256 [1,0,0,1,0,0|0,0,1]=3 315 B5R1.3 C1C(O1)CCl CUR-0004573 [1,0,0,1,0,0|1,0,1]=4 316 B5R1.3 C1C(O1)CO CUR-0011597 [1,0,0,1,0,0|1,0,1]=4 317 B5R1.3 C1CC1C#N CUR-0028789 [1,0,0,1,0,0|1,0,1]=4 318 B5R1.3 C1CC1C=O CUR-0016286 [1,0,0,1,0,0|0,0,0]=2 319 B5R1.3 C1CC1CBr CUR-0015213 [1,0,0,1,0,0|1,0,0]=3 320 B5R1.3 C1CC1CN CUR-0019694 [1,0,0,1,0,0|1,0,0]=3 321 B5R1.3 C1CC1CO CUR-0016442 [1,0,0,1,0,0|0,0,1]=3 322 B7R1.1 C1CC(OC1)CBr CUR-0102737 [0,1,0,1,0,0|0,0,2]=4 323 B7R1.1 C1CC(OC1)CCl CUR-0000752 [0,1,0,1,0,0|0,0,2]=4 324 B7R1.1 C1CC(OC1)CN CUR-0022405 [0,1,0,1,0,0|0,0,2]=4 325 B7R1.1 C1CC(OC1)CO CUR-0021816 [0,1,0,1,0,0|0,0,2]=4 326 B7R1.1 C1CCC(C1)C#N CUR-0101264 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.1 C1CCC(C1)CBr CUR-0005007 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.1 C1CCC(C1)CN CUR-0013562 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.1 C1CCC(C1)CO CUR-0114427 [0,1,0,1,0,0|0,0,2]=4 330 B7R1.1 C1CCC(C1)NN CUR-0100745 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.1 C1CCN(C1)C=O CUR-0050422 [0,1,0,1,0,0|0,0,0]=2 332 B7R1.1 C1CNCC1CF CUR-0122530 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.1 C1COCC1C#N CUR-0018666 [0,1,0,1,0,0|1,0,1]=4 334 B7R1.1 C1COCC1C=O CUR-0082585 [0,1,0,1,0,0|0,0,0]=2 335 B7R1.1 C1COCC1CBr CUR-0003563 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.1 C1COCC1CI CUR-0015713 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.1 C1COCC1CN CUR-0021455 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.1 C1COCC1CO CUR-0101139 [0,1,0,1,0,0|0,0,2]=4 339 B7R1.1 CNC1CCCC1 CUR-0011121 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.1 CNC1CCOC1 CUR-0020484 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.1 COC1=NCCC1 CUR-0119549 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.1 CSC1CCNC1 CUR-0121753 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.2 C1C(=O)CNC1=O CUR-0122247 [0,1,0,1,0,0|1,0,1]=4 344 B7R1.2 C1C(=O)COC1=O CUR-0100913 [0,1,0,1,0,0|1,0,1]=4 345 B7R1.2 C1C(CNC1=O)N CUR-0087034 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.2 C1CC(=O)CC1=O CUR-0010695 [0,1,0,1,0,0|0,0,1]=3 347 B7R1.2 C1CC(=O)NC1=O CUR-0005450 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.2 C1CC(=O)OC1=O CUR-0017714 [0,1,0,1,0,0|1,0,1]=4 349 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [0,1,0,1,0,0|0,0,0]=2 350 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [0,1,0,1,0,0|0,0,0]=2 351 B7R1.2 CC1COC(=O)O1 CUR-0101613 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.3 C1CC(CNC1)O CUR-0101604 [0,1,0,1,0,0|0,0,2]=4 353 B7R1.3 C1CC(COC1)N CUR-0090441 [0,1,0,1,0,0|0,0,2]=4 354 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [0,1,0,1,0,0|0,0,1]=3 355 B7R1.3 C1CCC(=O)CC1 CUR-0013382 [0,1,0,1,0,0|0,0,0]=2 356 B7R1.3 C1CCC(CC1)Br CUR-0027491 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.3 C1CCC(CC1)N CUR-0004167 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.3 C1CCC(CC1)O CUR-0020069 [0,1,0,1,0,0|0,0,2]=4 359 B7R1.3 C1CCNC(=O)C1 CUR-0002331 [0,1,0,1,0,0|0,0,0]=2 360 B7R1.3 C1CNC(=N)NC1 CUR-0096512 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.3 C1CNC(=N)OC1 CUR-0096514 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.3 C1CNC(=O)CN1 CUR-0101593 [0,1,0,1,0,0|1,0,0]=3 363 B7R1.3 C1CNC(=S)NC1 CUR-0101763 [0,1,0,1,0,0|1,1,0]=4 364 B7R1.3 C1CNCCC1=O CUR-0009294 [0,1,0,1,0,0|0,0,0]=2 365 B7R1.3 C1CNCCC1=O CUR-0102475 [0,1,0,1,0,0|0,0,0]=2 366 B7R1.3 C1CNCCC1O CUR-0021573 [0,1,0,1,0,0|0,0,2]=4 367 B7R1.3 C1COCC(=O)N1 CUR-0014967 [0,1,0,1,0,0|1,0,0]=3 368 B7R1.3 C1COCCC1=O CUR-0001478 [0,1,0,1,0,0|0,0,0]=2 369 B7R1.3 C1COCCC1O CUR-0101618 [0,1,0,1,0,0|0,0,2]=4 370 B7R1.3 C1COCCN1N CUR-0101622 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.3 C1CSCC(=O)N1 CUR-0095816 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.3 C1CSCCC1=O CUR-0005576 [0,1,0,1,0,0|0,0,0]=2 373 B7R1.3 C1CSCCC1N CUR-0026582 [0,1,0,1,0,0|0,1,1]=4 374 B7R1.3 CC1CCCCN1 CUR-0101581 [0,1,0,1,0,0|1,0,1]=4 375 B7R1.3 CC1CCCNC1 CUR-0013551 [0,1,0,1,0,0|1,0,1]=4 376 B7R1.3 CC1CCNCC1 CUR-0000849 [0,1,0,1,0,0|1,0,1]=4 377 B7R1.3 CC1CNCCN1 CUR-0101598 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.3 CN1CCNCC1 CUR-0017087 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.3 CN1CCOCC1 CUR-0027520 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.4 C1CC(=O)C(=O)C1 CUR-0061064 [0,1,0,1,0,0|0,0,1]=3 381 B7R1.4 C1CC(=O)N(C1)N CUR-0099031 [0,1,0,1,0,0|1,0,0]=3 382 B7R1.4 C1CC(C(C1)F)O CUR-0014122 [0,1,0,1,0,0|0,0,2]=4 383 B7R1.4 C1CNC(=O)C1Br CUR-0004832 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.4 C1COC(=O)C1Br CUR-0012154 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.4 C1CSC(=O)C1N CUR-0025625 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.4 C1[C@H](C(=O)NO1)N CUR-0101615 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.4 CN1CCCC1=O CUR-0101576 [0,1,0,1,0,0|0,0,0]=2 388 B7R1.5 CC1CC1N=C=O CUR-0006486 [0,1,0,1,0,0|0,0,1]=3 389 B7R1.6 C1CC(C1)N=C=O CUR-0004501 [0,1,0,1,0,0|0,0,1]=3 390 B7R1.6 CCNC1CCC1 CUR-0028770 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.22 C1CC1C(CN)O CUR-0022173 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.22 CC(C1CC1)NN CUR-0014382 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.7 C1CC1CN=C=O CUR-0022437 [0,1,0,1,0,0|0,0,1]=3 394 B7R1.7 C1CC1NCCO CUR-0001656 [0,1,0,1,0,0|0,0,2]=4 395 B7R1.7 C1CC1OCCCl CUR-0010646 [0,1,0,1,0,0|1,0,1]=4 396 B7R1.7 CCOCC1CO1 CUR-0006249 [0,1,0,1,0,0|0,0,2]=4 397 B7R1.12 CC1CC1C(=O)O CUR-0100917 [0,1,0,1,0,0|0,0,0]=2 398 B7R1.14 C1CCS(=O)(=O)C1 CUR-0001027 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.14 C1COS(=O)(=O)C1 CUR-0101825 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.14 CC1(CCCN1)C CUR-0020922 [0,1,0,1,0,0|1,0,1]=4 401 B7R1.18 C1C(CN1)C(=O)O CUR-0009104 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.18 C1CC(C1)C(=O)Cl CUR-0016394 [0,1,0,1,0,0|0,0,0]=2 403 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [0,1,0,1,0,0|0,0,0]=2 404 B7R1.18 C1CNC1C(=O)O CUR-0081896 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.20 C1CC1CC(=O)O CUR-0101588 [0,1,0,1,0,0|0,0,0]=2 406 B7R1.24 C1CCCNCC1 CUR-0020867 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.24 C1CNCCNC1 CUR-0010052 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.24 C1CNCCOC1 CUR-0101276 [0,1,0,1,0,0|0,0,2]=4 409 B7R2.13 C1CC2C(C1)O2 CUR-0001673 [0,0,0,2,0,0|0,0,2]=4 410 B7R2.13 C1CNC2C1C2 CUR-0015592 [0,0,0,2,0,0|1,0,1]=4