0 B5R0.1 C(C(F)F)NN CUR-0027696 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 CC(=CCBr)C CUR-0059675 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 CC(=CCCl)C CUR-0022594 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 CC(=O)COC CUR-0101516 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(=O)OC=C CUR-0001318 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(C)CC#N CUR-0101228 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 CC(C)CC=O CUR-0101502 [0,0,0,0,0,0|0,0,0]=0 7 B5R0.1 CC(C)CCBr CUR-0002757 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 CC(C)CCN CUR-0101511 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.1 CC(C)CCO CUR-0003416 [0,0,0,0,0,0|0,0,2]=2 10 B5R0.1 CC(C)CNN CUR-0001046 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CC(C)N=C=O CUR-0101492 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 CC(C)N=C=S CUR-0101608 [0,0,0,0,0,0|1,1,1]=3 13 B5R0.1 CC(CCO)O CUR-0003759 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.1 CC(COC)N CUR-0101532 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CC(CSC)N CUR-0019523 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CCCC(=O)C CUR-0026599 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 CCCC(C)O CUR-0023615 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 CN(C)CCCl CUR-0017041 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 CN(C)CCN CUR-0101525 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 CN(C)CCO CUR-0019188 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.1 C(=O)C(=O)O CUR-0021308 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C(C(Cl)Cl)Cl CUR-0102022 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 C(C(Cl)Cl)N CUR-0101208 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CC(=C)C=O CUR-0101443 [1,0,0,0,0,0|0,0,2]=3 25 B4R0.1 CC(=C)CCl CUR-0011941 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 CC(=O)C=C CUR-0013098 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CC(=O)C=O CUR-0101448 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CC(=O)CCl CUR-0002239 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(=O)CO CUR-0005016 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 CC(C#C)N CUR-0083146 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CC(C#C)O CUR-0101444 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 CC(C#N)Cl CUR-0101233 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CC(C)C#N CUR-0009528 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(C)C=O CUR-0017872 [1,0,0,0,0,0|0,0,0]=1 35 B4R0.1 CC(C)CBr CUR-0024115 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 CC(C)CI CUR-0028804 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 CC(C)CN CUR-0020747 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CC(C)CO CUR-0012302 [1,0,0,0,0,0|0,0,1]=2 39 B4R0.1 CC(C)NN CUR-0014509 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(CN)N CUR-0101461 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(CN)O CUR-0024952 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 CC(CN)S CUR-0003165 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 CC(CO)O CUR-0022593 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(CS)N CUR-0021165 [1,0,0,0,0,0|1,1,0]=3 45 B4R0.1 CCC(C)Br CUR-0102085 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 CCC(C)I CUR-0055396 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 CCC(C)N CUR-0001789 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 CCN(C)C CUR-0101456 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 CN(C)C#N CUR-0101445 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 C#CCCN CUR-0100609 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 C#CCCO CUR-0101442 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 C(CBr)CBr CUR-0016721 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.2 C(CCl)C#N CUR-0025838 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 C(CCl)CBr CUR-0004377 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.2 C(CN)CBr CUR-0103678 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.2 C(CN)CCl CUR-0101958 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 C(CN)CN CUR-0101462 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 C(CN)CO CUR-0005687 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.2 C(CO)C#N CUR-0000520 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 C(CO)CCl CUR-0004180 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.2 C(CO)CO CUR-0007262 [1,0,0,0,0,0|1,0,2]=4 62 B4R0.2 C(CO)NN CUR-0100819 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.2 C(CS)CS CUR-0006323 [1,0,0,0,0,0|1,1,1]=4 64 B4R0.2 C=CCC#N CUR-0014589 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 C=CCCBr CUR-0002027 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.2 C=CCCI CUR-0000685 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.2 C=CCCO CUR-0101449 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.2 C=CCNN CUR-0101265 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.2 C=CCNN CUR-0122500 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.2 CCCC#N CUR-0101440 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.2 CCCC=O CUR-0100896 [1,0,0,0,0,0|0,0,0]=1 72 B4R0.2 CCCCBr CUR-0023794 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.2 CCCCCl CUR-0023945 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.2 CCCCI CUR-0001021 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.2 CCCCN CUR-0017800 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.2 CCCCN CUR-0101317 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.2 CCCCO CUR-0016718 [1,0,0,0,0,0|0,0,2]=3 78 B4R0.2 CCCNN CUR-0022831 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 CCN=C=O CUR-0101447 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.2 CCN=C=S CUR-0006416 [1,0,0,0,0,0|1,1,1]=4 81 B4R0.2 CCNCC CUR-0022731 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.2 CCNCC CUR-0101285 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.2 CCOC=C CUR-0100764 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 CCOC=O CUR-0010493 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.2 CNCCI CUR-0017490 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 CNCCO CUR-0011813 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.2 COCC#N CUR-0101446 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 COCCBr CUR-0009505 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.2 COCCCl CUR-0000941 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 COCCN CUR-0012344 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 COCCO CUR-0101466 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.2 COCOC CUR-0101465 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.2 CSCCN CUR-0101544 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 C\C=C\C=O CUR-0001472 [1,0,0,0,0,0|0,0,2]=3 95 B6R0.1 C(CN)C(CN)O CUR-0122282 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.1 CC(CCN)OC CUR-0122797 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.1 CC(CSC)NC CUR-0022342 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.1 CCCC(C)C=O CUR-0101597 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.2 C(C(=O)N)C(=O)N CUR-0021261 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.2 C(C(=O)N)C(=S)N CUR-0096493 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.2 C(C(=O)O)C(=O)O CUR-0011839 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.2 C(C(=O)[O-])[N+](=O)[O-] CUR-0019317 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [0,1,0,0,0,0|0,0,2]=3 104 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [0,1,0,0,0,0|1,0,1]=3 105 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,1,0,0,0,0|0,0,0]=1 107 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [0,1,0,0,0,0|0,0,0]=1 108 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,1,0,0,0,0|0,0,0]=1 109 B6R0.2 CC(C)NC(C)C CUR-0028446 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.3 CC(C)C(=N)OC CUR-0101310 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 CC(C)C(=NO)N CUR-0027209 [0,1,0,0,0,0|1,0,2]=4 114 B6R0.3 CC(C)C(CN)O CUR-0027506 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.3 CCC(C(C)O)N CUR-0067426 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.4 CC(C)CCNN CUR-0019174 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.4 CC(C)CCON CUR-0153393 [0,1,0,0,0,0|0,0,2]=3 118 B6R0.4 CC(C)CN=C=O CUR-0095337 [0,1,0,0,0,0|0,0,1]=2 119 B6R0.4 CC(C)NCC#C CUR-0075482 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.4 CC(C)NCCO CUR-0101633 [0,1,0,0,0,0|0,0,2]=3 121 B6R0.4 CC(CCC#C)O CUR-0038064 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.4 CC(CCC#N)Br CUR-0049988 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.4 CN(C)CCC#N CUR-0021460 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.4 CN(C)CCCN CUR-0101628 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.4 CN(C)CCCO CUR-0020324 [0,1,0,0,0,0|1,0,2]=4 126 B6R0.4 CN(C)CCNN CUR-0009172 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.5 CC(C)(C)CC=O CUR-0101596 [0,1,0,0,0,0|0,0,0]=1 128 B6R0.5 CC(C)(C)CNN CUR-0101236 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.5 CC(C)(C)N=C=O CUR-0101577 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.5 CC(C)(C)N=C=S CUR-0019806 [0,1,0,0,0,0|1,1,1]=4 131 B6R0.5 CC(C)(C)ON=O CUR-0013641 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.5 CC(C)(CCO)O CUR-0101415 [0,1,0,0,0,0|0,0,2]=3 133 B6R0.5 C[N+](C)(C)CCO CUR-0013658 [0,1,0,0,0,0|1,0,2]=4 134 B6R0.5 C[N+](C)(C)CCO CUR-0024609 [0,1,0,0,0,0|1,0,2]=4 135 B6R1.2 C1CCC(C1)Br CUR-0025546 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.2 C1CCC(C1)N CUR-0006172 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 C1CCC(C1)O CUR-0021370 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.2 C1CNCC1O CUR-0101217 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.2 C1CNC[C@@H]1O CUR-0101508 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.2 C1COCC1O CUR-0101518 [0,0,0,1,0,0|1,0,2]=4 141 B6R1.2 C1[C@H](CON1)O CUR-0120241 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.2 CN1CCCC1 CUR-0101495 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.3 C1CC1CNN CUR-0028773 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.3 C1CC1CON CUR-0121722 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.3 C1CC1N=C=O CUR-0027996 [0,0,0,1,0,0|1,0,1]=3 146 B6R1.3 CNCC1CC1 CUR-0090189 [0,0,0,1,0,0|2,0,0]=3 147 B6R1.9 CC1(CC1N)C CUR-0090235 [0,0,0,1,0,0|1,0,1]=3 148 B3R0.1 C(=O)C=O CUR-0024623 [2,0,0,0,0,0|1,0,1]=4 149 B3R0.1 C(=O)NN CUR-0101193 [2,0,0,0,0,0|2,0,0]=4 150 B3R0.1 C(C=O)Cl CUR-0018990 [2,0,0,0,0,0|1,0,0]=3 151 B3R0.1 C(CBr)Br CUR-0000806 [2,0,0,0,0,0|2,0,0]=4 152 B3R0.1 C(CBr)Cl CUR-0006161 [2,0,0,0,0,0|2,0,0]=4 153 B3R0.1 C(CBr)N CUR-0103516 [2,0,0,0,0,0|2,0,0]=4 154 B3R0.1 C(CBr)O CUR-0021042 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.1 C(CCl)N CUR-0015629 [2,0,0,0,0,0|2,0,0]=4 156 B3R0.1 C(CCl)O CUR-0101474 [2,0,0,0,0,0|1,0,1]=4 157 B3R0.1 C(CN)N CUR-0009355 [2,0,0,0,0,0|2,0,0]=4 158 B3R0.1 C(CN)N CUR-0101207 [2,0,0,0,0,0|2,0,0]=4 159 B3R0.1 C(CN)N CUR-0101271 [2,0,0,0,0,0|2,0,0]=4 160 B3R0.1 C(CO)N CUR-0010085 [2,0,0,0,0,0|1,0,1]=4 161 B3R0.1 C(CO)O CUR-0026540 [2,0,0,0,0,0|1,0,1]=4 162 B3R0.1 C(CS)N CUR-0000633 [2,0,0,0,0,0|1,1,0]=4 163 B3R0.1 C(CS)N CUR-0101235 [2,0,0,0,0,0|1,1,0]=4 164 B3R0.1 C(CS)O CUR-0013730 [2,0,0,0,0,0|1,0,1]=4 165 B3R0.1 C=CCBr CUR-0014802 [2,0,0,0,0,0|1,0,1]=4 166 B3R0.1 C=CCCl CUR-0002102 [2,0,0,0,0,0|1,0,1]=4 167 B3R0.1 C=CCI CUR-0024817 [2,0,0,0,0,0|1,0,1]=4 168 B3R0.1 C=CCN CUR-0009493 [2,0,0,0,0,0|1,0,1]=4 169 B3R0.1 C=CCO CUR-0101427 [2,0,0,0,0,0|1,0,1]=4 170 B3R0.1 CCC#N CUR-0100813 [2,0,0,0,0,0|1,0,1]=4 171 B3R0.1 CCC=O CUR-0015273 [2,0,0,0,0,0|0,0,0]=2 172 B3R0.1 CCCBr CUR-0028377 [2,0,0,0,0,0|1,0,0]=3 173 B3R0.1 CCCI CUR-0010202 [2,0,0,0,0,0|1,0,0]=3 174 B3R0.1 CCCN CUR-0000120 [2,0,0,0,0,0|1,0,0]=3 175 B3R0.1 CCCO CUR-0017382 [2,0,0,0,0,0|0,0,1]=3 176 B3R0.1 CCCS CUR-0009615 [2,0,0,0,0,0|0,1,0]=3 177 B3R0.1 CCNN CUR-0017500 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.1 CNC=O CUR-0012781 [2,0,0,0,0,0|1,0,0]=3 179 B3R0.1 COCCl CUR-0028317 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.2 CC(=O)Br CUR-0004133 [2,0,0,0,0,0|1,0,1]=4 181 B3R0.2 CC(=O)Cl CUR-0019985 [2,0,0,0,0,0|1,0,1]=4 182 B3R0.2 CC(=O)N CUR-0016336 [2,0,0,0,0,0|1,0,1]=4 183 B3R0.2 CC(=O)O CUR-0005925 [2,0,0,0,0,0|1,0,1]=4 184 B3R0.2 CC(C)Br CUR-0027321 [2,0,0,0,0,0|1,0,0]=3 185 B3R0.2 CC(C)Cl CUR-0022523 [2,0,0,0,0,0|1,0,0]=3 186 B3R0.2 CC(C)I CUR-0026227 [2,0,0,0,0,0|1,0,0]=3 187 B3R0.2 CC(C)N CUR-0024558 [2,0,0,0,0,0|1,0,0]=3 188 B3R0.2 CC(C)S CUR-0012379 [2,0,0,0,0,0|0,1,0]=3 189 B3R0.2 CN(C)C CUR-0004768 [2,0,0,0,0,0|1,0,0]=3 190 B3R0.2 CP(C)C CUR-0006076 [2,0,0,0,0,0|1,0,0]=3 191 B3R0.2 C[N+](=O)[O-] CUR-0016305 [2,0,0,0,0,0|2,0,0]=4 192 B3R0.2 C[S+](C)C CUR-0103505 [2,0,0,0,0,0|1,0,0]=3 193 B5R0.3 C(C(CO)O)O CUR-0012902 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.3 CC(CO)CO CUR-0101538 [1,1,0,0,0,0|0,0,1]=3 195 B5R0.3 CCC(C)CO CUR-0101523 [1,1,0,0,0,0|0,0,1]=3 196 B5R0.3 CCC(C)NN CUR-0004060 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.3 CCC(CC)Br CUR-0020873 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.3 CCC(CO)N CUR-0101528 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.4 C(=O)C(F)(F)F CUR-0101751 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.4 CC(C)(C#C)O CUR-0101018 [1,1,0,0,0,0|0,0,2]=4 201 B5R0.4 CC(C)(C#N)O CUR-0021522 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.4 CC(C)(C)C#C CUR-0101479 [1,1,0,0,0,0|0,0,2]=4 203 B5R0.4 CC(C)(C)C#N CUR-0029203 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.4 CC(C)(C)C=O CUR-0101501 [1,1,0,0,0,0|0,0,0]=2 205 B5R0.4 CC(C)(C)NN CUR-0015780 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.4 CC(C)(C)OO CUR-0122293 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.4 CC(C)(CCl)O CUR-0008479 [1,1,0,0,0,0|1,0,0]=3 208 B5R0.4 CC(C)(CO)N CUR-0101533 [1,1,0,0,0,0|0,0,1]=3 209 B5R0.4 CCC(C)(C)N CUR-0017274 [1,1,0,0,0,0|0,0,1]=3 210 B5R0.4 CCC(C)(C)O CUR-0012425 [1,1,0,0,0,0|0,0,1]=3 211 B5R0.4 C[Si](C)(C)CCl CUR-0101843 [1,1,0,0,0,0|1,1,0]=4 212 B5R0.5 C(C(=O)Cl)(Cl)Cl CUR-0015043 [1,1,0,0,0,0|2,0,0]=4 213 B5R0.5 C(C(=O)O)(Cl)Cl CUR-0017246 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.5 CC(=O)C(=O)C CUR-0014415 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.5 CC(=O)C(=O)O CUR-0101513 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.5 CC(=O)N(C)C CUR-0015735 [1,1,0,0,0,0|1,0,0]=3 217 B5R0.5 CC(C(=N)N)Cl CUR-0013780 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.5 CC(C(=O)C)O CUR-0101517 [1,1,0,0,0,0|1,0,0]=3 221 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.5 CC(C(=O)O)N CUR-0005753 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.5 CC(C(=O)O)O CUR-0100772 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.5 CC(C(=O)O)S CUR-0001712 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.5 CC(C(C)Br)Br CUR-0103657 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.5 CC(C)C(=N)N CUR-0101000 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.5 CC(C)C(=O)C CUR-0101503 [1,1,0,0,0,0|0,0,0]=2 229 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [1,1,0,0,0,0|0,0,0]=2 230 B5R0.5 CC(C)C(=O)O CUR-0023620 [1,1,0,0,0,0|0,0,0]=2 231 B5R0.5 CC(C)[N+](=O)[O-] CUR-0001597 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.5 CN(C)C(=N)N CUR-0100903 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.5 CN(C)C(=S)Cl CUR-0101854 [1,1,0,0,0,0|1,1,0]=4 235 B5R0.5 CN(C)C(=S)N CUR-0099857 [1,1,0,0,0,0|1,1,0]=4 236 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [1,1,0,0,0,0|1,0,0]=3 238 B5R0.2 C#CCCCO CUR-0101486 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.2 C(CC#N)CCl CUR-0000109 [1,1,0,0,0,0|1,0,1]=4 240 B5R0.2 C(CC#N)CO CUR-0020823 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.2 C(CCBr)CBr CUR-0026189 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.2 C(CCBr)CCl CUR-0000065 [1,1,0,0,0,0|1,0,1]=4 243 B5R0.2 C(CCCl)CO CUR-0025105 [1,1,0,0,0,0|0,0,2]=4 244 B5R0.2 C(CCN)CN CUR-0016745 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.2 C(CCO)CO CUR-0024794 [1,1,0,0,0,0|0,0,2]=4 246 B5R0.2 C(CCS)CN CUR-0119579 [1,1,0,0,0,0|0,1,1]=4 247 B5R0.2 C(CCl)N=C=O CUR-0029062 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.2 C=CCCCN CUR-0089890 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.2 CCCCC#N CUR-0002776 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.2 CCCCC=O CUR-0020580 [1,1,0,0,0,0|0,0,0]=2 251 B5R0.2 CCCCCBr CUR-0020920 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.2 CCCCCI CUR-0007389 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.2 CCCCCN CUR-0101510 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.2 CCCCCO CUR-0018736 [1,1,0,0,0,0|0,0,2]=4 255 B5R0.2 CCCCNC CUR-0101509 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.2 CCCN=C=O CUR-0101493 [1,1,0,0,0,0|0,0,1]=3 257 B5R0.2 CCNCCCl CUR-0137711 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.2 CCNCCO CUR-0101534 [1,1,0,0,0,0|0,0,2]=4 259 B5R0.2 CCOCCBr CUR-0026041 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.2 CCOCCO CUR-0010841 [1,1,0,0,0,0|0,0,2]=4 261 B5R0.2 CCO\C=C\C CUR-0101289 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.2 CC\C=C/C#N CUR-0101476 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.2 CC\C=C/CO CUR-0101504 [1,1,0,0,0,0|0,0,2]=4 264 B5R0.2 CNCCC#C CUR-0041404 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.2 CNCCC#N CUR-0024199 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.2 CNCCCN CUR-0101524 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.2 CNCCNC CUR-0001888 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.2 CNCCOC CUR-0101531 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.2 COCCC#N CUR-0101494 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.2 COCCCN CUR-0101530 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.2 COCCNN CUR-0018740 [1,1,0,0,0,0|2,0,0]=4 272 B5R0.2 COCCOC CUR-0026380 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.2 CC(=O)CC(=O)OC CUR-0018522 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [0,2,0,0,0,0|0,0,0]=2 275 B7R0.2 CC(C)OC(=O)CCl CUR-0013704 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [0,2,0,0,0,0|0,0,0]=2 277 B7R0.5 CCCC(C)C(C)N CUR-0034233 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.7 CC(COC)N=C=O CUR-0098998 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.11 CC(CN)(COC)O CUR-0010743 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.12 COC(CC#C)OC CUR-0026697 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.12 COC(CC#N)OC CUR-0101736 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.9 C(C(=O)O)C(F)(F)F CUR-0101914 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [0,2,0,0,0,0|0,0,0]=2 284 B7R0.9 CC(=O)OC(C)(C)C CUR-0001433 [0,2,0,0,0,0|1,0,0]=3 285 B7R0.9 CC(C)(C)CC(=O)Cl CUR-0102044 [0,2,0,0,0,0|0,0,0]=2 286 B7R0.9 CC(C)(C)CC(=O)O CUR-0101757 [0,2,0,0,0,0|0,0,0]=2 287 B7R0.9 CC(C)(C)OC(=O)N CUR-0100962 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.9 CC(C)CS(=O)(=O)Cl CUR-0102552 [0,2,0,0,0,0|1,0,0]=3 289 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,2,0,0,0,0|0,0,0]=2 293 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,2,0,0,0,0|0,0,0]=2 294 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,2,0,0,0,0|1,0,0]=3 295 B7R0.4 CC(C)OCCCN CUR-0101773 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.4 CC(C)OCCCO CUR-0010579 [0,2,0,0,0,0|0,0,2]=4 297 B7R0.4 CN(C)CCN=C=O CUR-0000295 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.6 CC(=O)OCC(=O)Cl CUR-0102082 [0,2,0,0,0,0|1,0,1]=4 302 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [0,2,0,0,0,0|0,0,0]=2 303 B7R0.8 CC(C)(C)OCCO CUR-0101780 [0,2,0,0,0,0|0,0,2]=4 304 B5R1.2 C1C(CN1)O CUR-0015234 [1,0,0,1,0,0|2,0,0]=4 305 B5R1.2 C1C(CO1)O CUR-0028981 [1,0,0,1,0,0|1,0,1]=4 306 B5R1.2 C1CC(C1)Br CUR-0102047 [1,0,0,1,0,0|1,0,1]=4 307 B5R1.2 C1CC(C1)O CUR-0029256 [1,0,0,1,0,0|1,0,1]=4 308 B5R1.3 C1C(O1)CCl CUR-0004573 [1,0,0,1,0,0|2,0,0]=4 309 B5R1.3 C1C(O1)CO CUR-0011597 [1,0,0,1,0,0|1,0,1]=4 310 B5R1.3 C1CC1C#N CUR-0028789 [1,0,0,1,0,0|1,0,1]=4 311 B5R1.3 C1CC1C=O CUR-0016286 [1,0,0,1,0,0|0,0,0]=2 312 B5R1.3 C1CC1CBr CUR-0015213 [1,0,0,1,0,0|1,0,0]=3 313 B5R1.3 C1CC1CN CUR-0019694 [1,0,0,1,0,0|1,0,0]=3 314 B5R1.3 C1CC1CO CUR-0016442 [1,0,0,1,0,0|0,0,1]=3 315 B5R1.1 C1C=CCO1 CUR-0017724 [1,0,0,1,0,0|2,0,0]=4 316 B5R1.1 C1CCNC1 CUR-0027320 [1,0,0,1,0,0|1,0,1]=4 317 B5R1.1 C1COC=C1 CUR-0023942 [1,0,0,1,0,0|0,0,2]=4 318 B7R1.1 C1CCC(C1)CBr CUR-0005007 [0,1,0,1,0,0|1,0,1]=4 319 B7R1.1 C1CCC(C1)CN CUR-0013562 [0,1,0,1,0,0|1,0,1]=4 320 B7R1.1 C1CCC(C1)CO CUR-0114427 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.1 C1CNCC1CF CUR-0122530 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.1 C1COCC1CBr CUR-0003563 [0,1,0,1,0,0|0,0,2]=4 323 B7R1.1 C1COCC1CI CUR-0015713 [0,1,0,1,0,0|0,0,2]=4 324 B7R1.1 C1COCC1CN CUR-0021455 [0,1,0,1,0,0|0,0,2]=4 325 B7R1.1 C1COCC1CO CUR-0101139 [0,1,0,1,0,0|0,0,2]=4 326 B7R1.1 CNC1CCCC1 CUR-0011121 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.1 CNC1CCOC1 CUR-0020484 [0,1,0,1,0,0|0,0,2]=4 328 B7R1.1 CSC1CCNC1 CUR-0121753 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.2 C1C(=O)CNC1=O CUR-0122247 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.2 C1C(=O)COC1=O CUR-0100913 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.2 C1C(CNC1=O)N CUR-0087034 [0,1,0,1,0,0|1,0,0]=3 332 B7R1.2 C1CC(=O)CC1=O CUR-0010695 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [0,1,0,1,0,0|1,0,0]=3 334 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [0,1,0,1,0,0|1,0,0]=3 335 B7R1.2 CC1COC(=O)O1 CUR-0101613 [0,1,0,1,0,0|1,0,0]=3 336 B7R1.3 CC1CCCCN1 CUR-0101581 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.3 CC1CCCNC1 CUR-0013551 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.3 CC1CCNCC1 CUR-0000849 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.3 CC1CNCCN1 CUR-0101598 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.5 CC1CC1N=C=O CUR-0006486 [0,1,0,1,0,0|0,0,1]=3 341 B7R1.6 C1CC(C1)N=C=O CUR-0004501 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.22 C1CC1C(CN)O CUR-0022173 [0,1,0,1,0,0|1,0,1]=4 343 B7R1.22 CC(C1CC1)NN CUR-0014382 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.25 CC1(COC1)CO CUR-0022359 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.12 CC1CC1C(=O)O CUR-0100917 [0,1,0,1,0,0|0,0,0]=2 346 B7R1.20 C1CC1CC(=O)O CUR-0101588 [0,1,0,1,0,0|0,0,0]=2 347 B7R1.7 C1CC1CN=C=O CUR-0022437 [0,1,0,1,0,0|0,0,1]=3 348 B7R1.7 C1CC1NCCO CUR-0001656 [0,1,0,1,0,0|0,0,2]=4 349 B7R1.7 C1CC1OCCCl CUR-0010646 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.14 CC1(CCCN1)C CUR-0020922 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.14 CC1(COCN1)C CUR-0101605 [0,1,0,1,0,0|1,0,1]=4 352 B7R2.13 C1CNC2C1C2 CUR-0015592 [0,0,0,2,0,0|1,0,1]=4