0 B3R0.2 C(=N)(N)N CUR-0011215 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.2 C(=O)(N)N CUR-0004435 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 C(=S)(N)N CUR-0027936 [0,0,0,0,0,0|2,1,0]=3 3 B3R0.2 C(Br)(Br)Br CUR-0023191 [0,0,0,0,0,0|3,0,1]=4 4 B3R0.2 C(Cl)(Cl)Cl CUR-0101795 [0,0,0,0,0,0|3,0,1]=4 5 B3R0.2 CC(=N)N CUR-0023632 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.2 CC(=O)Br CUR-0004133 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.2 CC(=O)Cl CUR-0019985 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 CC(=O)N CUR-0016336 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 CC(=O)O CUR-0005925 [0,0,0,0,0,0|1,0,0]=1 10 B3R0.2 CC(=S)N CUR-0008655 [0,0,0,0,0,0|2,1,0]=3 11 B3R0.2 CC(C)Br CUR-0027321 [0,0,0,0,0,0|3,0,1]=4 12 B3R0.2 CC(C)Cl CUR-0022523 [0,0,0,0,0,0|3,0,1]=4 13 B3R0.2 CC(C)I CUR-0026227 [0,0,0,0,0,0|3,0,1]=4 14 B3R0.2 CC(C)N CUR-0024558 [0,0,0,0,0,0|3,0,1]=4 15 B3R0.2 CC(C)S CUR-0012379 [0,0,0,0,0,0|2,1,1]=4 16 B3R0.2 CN(C)C CUR-0004768 [0,0,0,0,0,0|4,0,0]=4 17 B3R0.2 CP(C)C CUR-0006076 [0,0,0,0,0,0|4,0,0]=4 18 B3R0.2 C[N+](=O)[O-] CUR-0016305 [0,0,0,0,0,0|2,0,1]=3 19 B3R0.2 C[S+](C)C CUR-0103505 [0,0,0,0,0,0|4,0,0]=4 20 B2R0.1 C(#N)N CUR-0024768 [1,0,0,0,0,0|2,0,1]=4 21 B2R0.1 C(=O)N CUR-0026798 [1,0,0,0,0,0|1,0,0]=2 22 B2R0.1 C(=O)O CUR-0018439 [1,0,0,0,0,0|0,0,0]=1 23 B2R0.1 C(Br)Br CUR-0005423 [1,0,0,0,0,0|2,0,1]=4 24 B2R0.1 C(I)I CUR-0100965 [1,0,0,0,0,0|2,0,1]=4 25 B2R0.1 CC=O CUR-0008743 [1,0,0,0,0,0|1,0,0]=2 26 B2R0.1 CCBr CUR-0012119 [1,0,0,0,0,0|2,0,1]=4 27 B2R0.1 CCI CUR-0000443 [1,0,0,0,0,0|2,0,1]=4 28 B2R0.1 CCN CUR-0101229 [1,0,0,0,0,0|2,0,1]=4 29 B2R0.1 CCS CUR-0022672 [1,0,0,0,0,0|1,1,1]=4 30 B2R0.1 CNC CUR-0026541 [1,0,0,0,0,0|3,0,0]=4 31 B2R0.1 CNC CUR-0101266 [1,0,0,0,0,0|3,0,0]=4 32 B2R0.1 CNN CUR-0101255 [1,0,0,0,0,0|3,0,0]=4 33 B2R0.1 CON CUR-0007384 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 C#CC(=O)O CUR-0101441 [0,1,0,0,0,0|1,0,0]=2 35 B4R0.1 C(=C(Cl)Cl)Cl CUR-0101983 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.1 C(=O)(N)NN CUR-0003223 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.1 C(=O)(N)NO CUR-0001014 [0,1,0,0,0,0|1,0,0]=2 38 B4R0.1 C(=O)C(=O)O CUR-0021308 [0,1,0,0,0,0|0,0,1]=2 39 B4R0.1 C(=S)(N)NN CUR-0004669 [0,1,0,0,0,0|2,1,0]=4 40 B4R0.1 C(C(=N)N)Cl CUR-0085287 [0,1,0,0,0,0|3,0,0]=4 41 B4R0.1 C(C(=O)Br)Br CUR-0006369 [0,1,0,0,0,0|2,0,0]=3 42 B4R0.1 C(C(=O)Cl)Cl CUR-0004550 [0,1,0,0,0,0|2,0,0]=3 43 B4R0.1 C(C(=O)N)Br CUR-0014813 [0,1,0,0,0,0|2,0,0]=3 44 B4R0.1 C(C(=O)N)Cl CUR-0007516 [0,1,0,0,0,0|2,0,0]=3 45 B4R0.1 C(C(=O)N)N CUR-0101687 [0,1,0,0,0,0|2,0,0]=3 46 B4R0.1 C(C(=O)N)O CUR-0113957 [0,1,0,0,0,0|1,0,0]=2 47 B4R0.1 C(C(=O)O)Br CUR-0100788 [0,1,0,0,0,0|1,0,0]=2 48 B4R0.1 C(C(=O)O)Cl CUR-0003311 [0,1,0,0,0,0|1,0,0]=2 49 B4R0.1 C(C(=O)O)I CUR-0003176 [0,1,0,0,0,0|1,0,0]=2 50 B4R0.1 C(C(=O)O)N CUR-0014574 [0,1,0,0,0,0|1,0,0]=2 51 B4R0.1 C(C(=O)O)N CUR-0101231 [0,1,0,0,0,0|1,0,0]=2 52 B4R0.1 C(C(=O)O)O CUR-0014667 [0,1,0,0,0,0|0,0,0]=1 53 B4R0.1 C(C(=O)O)S CUR-0101545 [0,1,0,0,0,0|0,1,0]=2 54 B4R0.1 C(O)S(=O)[O-] CUR-0023303 [0,1,0,0,0,0|1,0,1]=3 55 B4R0.1 C=C(C#N)Cl CUR-0000372 [0,1,0,0,0,0|3,0,0]=4 56 B4R0.1 C=CC(=O)Cl CUR-0101542 [0,1,0,0,0,0|2,0,0]=3 57 B4R0.1 C=CC(=O)N CUR-0007166 [0,1,0,0,0,0|2,0,0]=3 58 B4R0.1 C=CC(=O)O CUR-0028045 [0,1,0,0,0,0|1,0,0]=2 59 B4R0.1 CC(=C)C=O CUR-0101443 [0,1,0,0,0,0|2,0,0]=3 60 B4R0.1 CC(=C)CCl CUR-0011941 [0,1,0,0,0,0|3,0,0]=4 61 B4R0.1 CC(=C)OC CUR-0101450 [0,1,0,0,0,0|2,0,0]=3 62 B4R0.1 CC(=O)C=C CUR-0013098 [0,1,0,0,0,0|2,0,0]=3 63 B4R0.1 CC(=O)C=O CUR-0101448 [0,1,0,0,0,0|1,0,1]=3 64 B4R0.1 CC(=O)CCl CUR-0002239 [0,1,0,0,0,0|2,0,0]=3 65 B4R0.1 CC(=O)CO CUR-0005016 [0,1,0,0,0,0|1,0,0]=2 66 B4R0.1 CC(C#C)O CUR-0101444 [0,1,0,0,0,0|2,0,1]=4 67 B4R0.1 CC(C)C=O CUR-0017872 [0,1,0,0,0,0|2,0,1]=4 68 B4R0.1 CC(C)CO CUR-0012302 [0,1,0,0,0,0|2,0,1]=4 69 B4R0.1 CC(CN)O CUR-0024952 [0,1,0,0,0,0|2,0,1]=4 70 B4R0.1 CC(CO)O CUR-0022593 [0,1,0,0,0,0|1,0,1]=3 71 B4R0.1 CCC(=O)Cl CUR-0101547 [0,1,0,0,0,0|2,0,0]=3 72 B4R0.1 CCC(=O)N CUR-0101453 [0,1,0,0,0,0|2,0,0]=3 73 B4R0.1 CCC(=O)O CUR-0010221 [0,1,0,0,0,0|1,0,0]=2 74 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [0,1,0,0,0,0|2,0,1]=4 75 B4R0.1 CNC(=O)N CUR-0025342 [0,1,0,0,0,0|2,0,0]=3 76 B4R0.1 CNC(=S)N CUR-0004136 [0,1,0,0,0,0|2,1,0]=4 77 B4R0.1 COC(=N)N CUR-0101458 [0,1,0,0,0,0|2,0,0]=3 78 B4R0.1 COC(=O)Cl CUR-0019109 [0,1,0,0,0,0|1,0,0]=2 79 B4R0.1 COC(Cl)Cl CUR-0101733 [0,1,0,0,0,0|2,0,1]=4 80 B4R0.1 CSC(=N)N CUR-0104011 [0,1,0,0,0,0|2,1,0]=4 81 B4R0.1 C\C(=N\O)\N CUR-0098903 [0,1,0,0,0,0|2,0,0]=3 82 B4R0.3 CC(C)(C)O CUR-0002925 [0,1,0,0,0,0|2,0,1]=4 83 B4R0.3 CP(=O)(C)[O-] CUR-0012653 [0,1,0,0,0,0|2,0,1]=4 84 B4R0.3 CS(=O)(=O)Cl CUR-0028112 [0,1,0,0,0,0|2,0,1]=4 85 B4R0.3 CS(=O)(=O)N CUR-0017808 [0,1,0,0,0,0|2,0,1]=4 86 B4R0.3 CS(=O)(=O)O CUR-0017504 [0,1,0,0,0,0|1,0,1]=3 87 B4R0.3 C[S+](=O)(C)C CUR-0021799 [0,1,0,0,0,0|3,0,0]=4 88 B4R0.3 OS(=O)(=O)O CUR-0103589 [0,1,0,0,0,0|1,0,0]=2 89 B4R1.2 CC1CO1 CUR-0006075 [0,0,0,1,0,0|2,0,1]=4 90 B1R0.1 CI CUR-0009105 [2,0,0,0,0,0|1,0,1]=4 91 B1R0.1 CN CUR-0101232 [2,0,0,0,0,0|1,0,1]=4 92 B3R0.1 C#CCO CUR-0007009 [1,1,0,0,0,0|1,0,1]=4 93 B3R0.1 C(=O)C=O CUR-0024623 [1,1,0,0,0,0|0,0,1]=3 94 B3R0.1 C(=O)NN CUR-0101193 [1,1,0,0,0,0|1,0,0]=3 95 B3R0.1 C(C=O)Cl CUR-0018990 [1,1,0,0,0,0|1,0,0]=3 96 B3R0.1 C(CBr)O CUR-0021042 [1,1,0,0,0,0|1,0,1]=4 97 B3R0.1 C(CCl)O CUR-0101474 [1,1,0,0,0,0|1,0,1]=4 98 B3R0.1 C(CO)N CUR-0010085 [1,1,0,0,0,0|1,0,1]=4 99 B3R0.1 C(CO)O CUR-0026540 [1,1,0,0,0,0|0,0,1]=3 100 B3R0.1 C(CS)O CUR-0013730 [1,1,0,0,0,0|0,1,1]=4 101 B3R0.1 C=CC#N CUR-0023863 [1,1,0,0,0,0|2,0,0]=4 102 B3R0.1 C=CCBr CUR-0014802 [1,1,0,0,0,0|2,0,0]=4 103 B3R0.1 C=CCCl CUR-0002102 [1,1,0,0,0,0|2,0,0]=4 104 B3R0.1 C=CCI CUR-0024817 [1,1,0,0,0,0|2,0,0]=4 105 B3R0.1 C=CCN CUR-0009493 [1,1,0,0,0,0|2,0,0]=4 106 B3R0.1 C=CCO CUR-0101427 [1,1,0,0,0,0|1,0,0]=3 107 B3R0.1 CCC=O CUR-0015273 [1,1,0,0,0,0|1,0,0]=3 108 B3R0.1 CCCO CUR-0017382 [1,1,0,0,0,0|1,0,1]=4 109 B3R0.1 CNC=O CUR-0012781 [1,1,0,0,0,0|1,0,0]=3 110 B3R0.1 CNOC CUR-0015640 [1,1,0,0,0,0|2,0,0]=4 111 B3R0.1 COCCl CUR-0028317 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.1 C(C#N)C(=O)N CUR-0015106 [0,2,0,0,0,0|2,0,0]=4 113 B5R0.1 C(C#N)C(=O)O CUR-0011506 [0,2,0,0,0,0|1,0,0]=3 114 B5R0.1 C(CBr)C(=O)O CUR-0102453 [0,2,0,0,0,0|1,0,0]=3 115 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [0,2,0,0,0,0|2,0,0]=4 116 B5R0.1 C(CCl)C(=O)O CUR-0008480 [0,2,0,0,0,0|1,0,0]=3 117 B5R0.1 C(CN)C(=O)O CUR-0006907 [0,2,0,0,0,0|1,0,0]=3 118 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [0,2,0,0,0,0|1,0,1]=4 119 B5R0.1 C(CS)C(=O)O CUR-0101651 [0,2,0,0,0,0|0,1,0]=3 120 B5R0.1 CC(=O)COC CUR-0101516 [0,2,0,0,0,0|1,0,0]=3 121 B5R0.1 CC(=O)OC=C CUR-0001318 [0,2,0,0,0,0|1,0,0]=3 122 B5R0.1 CC(CCO)O CUR-0003759 [0,2,0,0,0,0|1,0,1]=4 123 B5R0.1 CCCC(=O)C CUR-0026599 [0,2,0,0,0,0|2,0,0]=4 124 B5R0.1 CCCC(=O)Cl CUR-0020308 [0,2,0,0,0,0|2,0,0]=4 125 B5R0.1 CCCC(=O)O CUR-0020198 [0,2,0,0,0,0|1,0,0]=3 126 B5R0.1 CCOC(=O)C CUR-0101519 [0,2,0,0,0,0|1,0,0]=3 127 B5R0.1 CCOC(=O)Cl CUR-0026181 [0,2,0,0,0,0|1,0,0]=3 128 B5R0.1 CCOC(=O)N CUR-0100824 [0,2,0,0,0,0|1,0,0]=3 129 B5R0.1 CNCC(=O)O CUR-0018005 [0,2,0,0,0,0|1,0,0]=3 130 B5R0.1 COCC(=O)Cl CUR-0101665 [0,2,0,0,0,0|1,0,0]=3 131 B5R0.1 COCC(=O)O CUR-0014449 [0,2,0,0,0,0|0,0,0]=2 132 B5R0.1 CSCC(=O)O CUR-0025987 [0,2,0,0,0,0|0,1,0]=3 133 B5R0.1 C\C=C\C(=O)O CUR-0100765 [0,2,0,0,0,0|1,0,0]=3 134 B5R0.3 C(C(=NO)N)Cl CUR-0029129 [0,2,0,0,0,0|2,0,0]=4 135 B5R0.3 C(C(=O)CCl)Cl CUR-0101901 [0,2,0,0,0,0|2,0,0]=4 136 B5R0.3 C(C(CO)O)O CUR-0012902 [0,2,0,0,0,0|0,0,2]=4 137 B5R0.3 CC(CO)CO CUR-0101538 [0,2,0,0,0,0|1,0,1]=4 138 B5R0.3 CCC(=O)CC CUR-0101500 [0,2,0,0,0,0|2,0,0]=4 139 B5R0.3 CC\C(=N/O)\N CUR-0010533 [0,2,0,0,0,0|2,0,0]=4 140 B5R0.3 CNC(=O)C#C CUR-0016542 [0,2,0,0,0,0|2,0,0]=4 141 B5R0.3 CNC(=O)CCl CUR-0099536 [0,2,0,0,0,0|2,0,0]=4 142 B5R0.3 CNC(=O)NC CUR-0101521 [0,2,0,0,0,0|2,0,0]=4 143 B5R0.3 COC(=N)CCl CUR-0101034 [0,2,0,0,0,0|2,0,0]=4 144 B5R0.3 COC(=O)C#C CUR-0008050 [0,2,0,0,0,0|1,0,0]=3 145 B5R0.3 COC(=O)C=C CUR-0018588 [0,2,0,0,0,0|1,0,0]=3 146 B5R0.3 COC(=O)CBr CUR-0102451 [0,2,0,0,0,0|1,0,0]=3 147 B5R0.3 COC(=O)CCl CUR-0019510 [0,2,0,0,0,0|1,0,0]=3 148 B5R0.3 COC(=O)CN CUR-0016914 [0,2,0,0,0,0|1,0,0]=3 149 B5R0.3 COC(=O)CO CUR-0101535 [0,2,0,0,0,0|0,0,0]=2 150 B5R0.3 COC(=O)CS CUR-0014981 [0,2,0,0,0,0|0,1,0]=3 151 B5R0.3 COC(=O)NN CUR-0100906 [0,2,0,0,0,0|1,0,0]=3 152 B5R0.3 COC(=O)OC CUR-0101536 [0,2,0,0,0,0|0,0,0]=2 153 B5R0.3 COP(=O)OC CUR-0016444 [0,2,0,0,0,0|1,0,0]=3 154 B5R0.5 C(=O)(C(=O)Cl)Cl CUR-0022479 [0,2,0,0,0,0|1,0,1]=4 155 B5R0.5 C(=O)(C(=O)N)N CUR-0013129 [0,2,0,0,0,0|1,0,1]=4 156 B5R0.5 C(=O)(C(=O)O)O CUR-0022161 [0,2,0,0,0,0|0,0,0]=2 157 B5R0.5 C(=O)(C(=O)O)O CUR-0100644 [0,2,0,0,0,0|0,0,0]=2 158 B5R0.5 C(C(=O)Cl)(Cl)Cl CUR-0015043 [0,2,0,0,0,0|2,0,0]=4 159 B5R0.5 C(C(=O)O)(Cl)Cl CUR-0017246 [0,2,0,0,0,0|1,0,0]=3 160 B5R0.5 CC(=O)C(=O)C CUR-0014415 [0,2,0,0,0,0|1,0,1]=4 161 B5R0.5 CC(=O)C(=O)O CUR-0101513 [0,2,0,0,0,0|0,0,1]=3 162 B5R0.5 CC(=O)N(C)C CUR-0015735 [0,2,0,0,0,0|2,0,0]=4 163 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [0,2,0,0,0,0|2,0,0]=4 164 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [0,2,0,0,0,0|2,0,0]=4 165 B5R0.5 CC(C(=O)C)O CUR-0101517 [0,2,0,0,0,0|1,0,0]=3 166 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [0,2,0,0,0,0|2,0,0]=4 167 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [0,2,0,0,0,0|1,0,0]=3 168 B5R0.5 CC(C(=O)O)N CUR-0005753 [0,2,0,0,0,0|1,0,0]=3 169 B5R0.5 CC(C(=O)O)O CUR-0100772 [0,2,0,0,0,0|0,0,0]=2 170 B5R0.5 CC(C(=O)O)S CUR-0001712 [0,2,0,0,0,0|0,1,0]=3 171 B5R0.5 CC(C)C(=O)C CUR-0101503 [0,2,0,0,0,0|2,0,0]=4 172 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [0,2,0,0,0,0|2,0,0]=4 173 B5R0.5 CC(C)C(=O)O CUR-0023620 [0,2,0,0,0,0|1,0,0]=3 174 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [0,2,0,0,0,0|2,0,0]=4 175 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [0,2,0,0,0,0|2,0,0]=4 176 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [0,2,0,0,0,0|1,0,0]=3 177 B5R1.2 C1C(CO1)O CUR-0028981 [0,1,0,1,0,0|1,0,1]=4 178 B5R1.2 C1CC(=O)C1 CUR-0005686 [0,1,0,1,0,0|2,0,0]=4 179 B5R1.3 C1C(O1)CO CUR-0011597 [0,1,0,1,0,0|1,0,1]=4