0 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.2 C1CC(=O)NC1 CUR-0017206 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 C1CC(=O)OC1 CUR-0101496 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 C1CCC(=O)C1 CUR-0027028 [0,0,0,0,0,0|1,0,0]=1 4 B6R1.2 C1CCC(C1)Br CUR-0025546 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 C1CCC(C1)N CUR-0006172 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 C1CCC(C1)O CUR-0021370 [0,0,0,0,0,0|1,0,2]=3 7 B6R1.2 C1CNC(=O)N1 CUR-0017995 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 C1CNC(=O)N1 CUR-0101499 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 C1CNC(=S)N1 CUR-0101624 [0,0,0,0,0,0|3,1,0]=4 10 B6R1.2 C1CNCC1O CUR-0101217 [0,0,0,0,0,0|1,0,2]=3 11 B6R1.2 C1CNC[C@@H]1O CUR-0101508 [0,0,0,0,0,0|1,0,2]=3 12 B6R1.2 C1COC(=O)N1 CUR-0101507 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 C1COCC1O CUR-0101518 [0,0,0,0,0,0|0,1,2]=3 14 B6R1.2 C1CSC(=N)N1 CUR-0101395 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 C1CSC(=N1)N CUR-0013303 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 C1CSC(=N1)N CUR-0101202 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 C1CSC(=N1)S CUR-0101794 [0,0,0,0,0,0|3,1,0]=4 18 B6R1.2 C1CSCC1=O CUR-0101623 [0,0,0,0,0,0|0,0,0]=0 19 B6R1.2 C1[C@H](CON1)O CUR-0120241 [0,0,0,0,0,0|1,1,2]=4 20 B6R1.2 CN1CCCC1 CUR-0101495 [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 Cc1ccsc1 CUR-0006917 [0,0,0,0,0,0|1,0,3]=4 22 B6R1.2 Cc1cscn1 CUR-0101579 [0,0,0,0,0,0|2,0,2]=4 23 B6R1.2 c1c(nsn1)Cl CUR-0099633 [0,0,0,0,0,0|3,0,1]=4 24 B6R1.2 c1cscc1Br CUR-0102678 [0,0,0,0,0,0|1,0,3]=4 25 B6R1.2 c1cscc1F CUR-0098914 [0,0,0,0,0,0|1,0,3]=4 26 B6R1.2 c1cscc1N CUR-0103243 [0,0,0,0,0,0|1,0,3]=4 27 B5R1.1 C1C=CCO1 CUR-0017724 [1,0,0,0,0,0|0,1,1]=3 28 B5R1.1 C1CCNC1 CUR-0027320 [1,0,0,0,0,0|1,0,1]=3 29 B5R1.1 C1COC=C1 CUR-0023942 [1,0,0,0,0,0|0,1,1]=3 30 B5R1.1 c1ccsc1 CUR-0023526 [1,0,0,0,0,0|0,0,3]=4 31 B7R1.1 C1CCC(C1)C#N CUR-0101264 [0,1,0,0,0,0|2,0,1]=4 32 B7R1.1 C1CCC(C1)CBr CUR-0005007 [0,1,0,0,0,0|2,0,1]=4 33 B7R1.1 C1CCC(C1)CN CUR-0013562 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.1 C1CCC(C1)CO CUR-0114427 [0,1,0,0,0,0|1,0,2]=4 35 B7R1.1 C1CCC(C1)NN CUR-0100745 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.1 C1CCN(C1)C=O CUR-0050422 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.1 C1CNCC1CF CUR-0122530 [0,1,0,0,0,0|2,0,1]=4 38 B7R1.1 C1COCC1C#N CUR-0018666 [0,1,0,0,0,0|1,1,1]=4 39 B7R1.1 C1COCC1C=O CUR-0082585 [0,1,0,0,0,0|0,1,1]=3 40 B7R1.1 C1COCC1CBr CUR-0003563 [0,1,0,0,0,0|1,1,1]=4 41 B7R1.1 C1COCC1CI CUR-0015713 [0,1,0,0,0,0|1,1,1]=4 42 B7R1.1 C1COCC1CN CUR-0021455 [0,1,0,0,0,0|1,1,1]=4 43 B7R1.1 C1COCC1CO CUR-0101139 [0,1,0,0,0,0|0,1,2]=4 44 B7R1.1 CNC1CCCC1 CUR-0011121 [0,1,0,0,0,0|2,0,1]=4 45 B7R1.1 CNC1CCOC1 CUR-0020484 [0,1,0,0,0,0|1,1,1]=4 46 B7R1.1 COC1=NCCC1 CUR-0119549 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.1 CSC1CCNC1 CUR-0121753 [0,1,0,0,0,0|1,1,1]=4 48 B7R1.1 c1cscc1C=O CUR-0026809 [0,1,0,0,0,0|0,0,3]=4 49 B7R1.2 C1C(=N)NC(=O)S1 CUR-0096040 [0,1,0,0,0,0|2,0,1]=4 50 B7R1.2 C1C(=O)CNC1=O CUR-0122247 [0,1,0,0,0,0|1,0,1]=3 51 B7R1.2 C1C(=O)COC1=O CUR-0100913 [0,1,0,0,0,0|0,1,1]=3 52 B7R1.2 C1C(=O)NC(=O)N1 CUR-0101582 [0,1,0,0,0,0|2,0,1]=4 53 B7R1.2 C1C(=O)NC(=S)S1 CUR-0102016 [0,1,0,0,0,0|1,0,1]=3 54 B7R1.2 C1C(CNC1=O)N CUR-0087034 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.2 C1CC(=O)CC1=O CUR-0010695 [0,1,0,0,0,0|1,0,0]=2 56 B7R1.2 C1CC(=O)NC1=O CUR-0005450 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.2 C1CC(=O)OC1=O CUR-0017714 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.2 CC1COC(=O)O1 CUR-0101613 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.4 C1CC(=O)C(=O)C1 CUR-0061064 [0,1,0,0,0,0|1,0,1]=3 62 B7R1.4 C1CC(=O)N(C1)N CUR-0099031 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.4 C1CC(C(C1)F)O CUR-0014122 [0,1,0,0,0,0|1,0,2]=4 64 B7R1.4 C1CNC(=O)C1Br CUR-0004832 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.4 C1COC(=O)C1Br CUR-0012154 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.4 C1CSC(=O)C1N CUR-0025625 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.4 C1[C@H](C(=O)NO1)N CUR-0101615 [0,1,0,0,0,0|1,1,0]=3 68 B7R1.4 CN1CCCC1=O CUR-0101576 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.14 C1C=CCP1(=O)Cl CUR-0018597 [0,1,0,0,0,0|2,0,1]=4 70 B7R1.14 C1C=CCS1(=O)=O CUR-0013292 [0,1,0,0,0,0|2,0,1]=4 71 B7R1.14 C1CCS(=O)(=O)C1 CUR-0001027 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.14 C1COS(=O)(=O)C1 CUR-0101825 [0,1,0,0,0,0|3,0,0]=4 73 B5R0.1 C(C#N)C(=O)N CUR-0015106 [0,0,1,0,0,0|2,0,1]=4 74 B5R0.1 C(C#N)C(=O)O CUR-0011506 [0,0,1,0,0,0|2,0,1]=4 75 B5R0.1 C(CBr)C(=O)O CUR-0102453 [0,0,1,0,0,0|2,0,0]=3 76 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [0,0,1,0,0,0|2,0,0]=3 77 B5R0.1 C(CCl)C(=O)O CUR-0008480 [0,0,1,0,0,0|2,0,0]=3 78 B5R0.1 C(CN)C(=O)O CUR-0006907 [0,0,1,0,0,0|2,0,0]=3 79 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [0,0,1,0,0,0|2,0,0]=3 80 B5R0.1 C(CS)C(=O)O CUR-0101651 [0,0,1,0,0,0|1,0,0]=2 81 B5R0.1 CC(=CCBr)C CUR-0059675 [0,0,1,0,0,0|2,0,1]=4 82 B5R0.1 CC(=CCCl)C CUR-0022594 [0,0,1,0,0,0|2,0,1]=4 83 B5R0.1 CC(=O)COC CUR-0101516 [0,0,1,0,0,0|0,1,0]=2 84 B5R0.1 CC(=O)OC=C CUR-0001318 [0,0,1,0,0,0|2,0,1]=4 85 B5R0.1 CC(C)CCBr CUR-0002757 [0,0,1,0,0,0|2,0,1]=4 86 B5R0.1 CC(C)CCN CUR-0101511 [0,0,1,0,0,0|2,0,1]=4 87 B5R0.1 CC(C)CCO CUR-0003416 [0,0,1,0,0,0|1,1,1]=4 88 B5R0.1 CC(CCO)O CUR-0003759 [0,0,1,0,0,0|0,1,2]=4 89 B5R0.1 CC(COC)N CUR-0101532 [0,0,1,0,0,0|1,1,1]=4 90 B5R0.1 CC(CSC)N CUR-0019523 [0,0,1,0,0,0|1,0,1]=3 91 B5R0.1 CCCC(=O)C CUR-0026599 [0,0,1,0,0,0|1,0,0]=2 92 B5R0.1 CCCC(=O)Cl CUR-0020308 [0,0,1,0,0,0|2,0,0]=3 93 B5R0.1 CCCC(=O)O CUR-0020198 [0,0,1,0,0,0|2,0,0]=3 94 B5R0.1 CCCC(C)O CUR-0023615 [0,0,1,0,0,0|1,0,2]=4 95 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [0,0,1,0,0,0|3,0,0]=4 96 B5R0.1 CCOC(=O)C CUR-0101519 [0,0,1,0,0,0|2,0,0]=3 97 B5R0.1 CCOC(=O)Cl CUR-0026181 [0,0,1,0,0,0|3,0,0]=4 98 B5R0.1 CCOC(=O)N CUR-0100824 [0,0,1,0,0,0|3,0,0]=4 99 B5R0.1 CN(C)CCCl CUR-0017041 [0,0,1,0,0,0|3,0,0]=4 100 B5R0.1 CN(C)CCN CUR-0101525 [0,0,1,0,0,0|3,0,0]=4 101 B5R0.1 CN(C)CCO CUR-0019188 [0,0,1,0,0,0|2,1,0]=4 102 B5R0.1 CNCC(=O)O CUR-0018005 [0,0,1,0,0,0|2,0,0]=3 103 B5R0.1 COCC(=O)Cl CUR-0101665 [0,0,1,0,0,0|1,1,0]=3 104 B5R0.1 COCC(=O)O CUR-0014449 [0,0,1,0,0,0|1,1,0]=3 105 B5R0.1 CSCC(=N)N CUR-0100998 [0,0,1,0,0,0|2,0,0]=3 106 B5R0.1 CSCC(=O)O CUR-0025987 [0,0,1,0,0,0|1,0,0]=2 107 B5R0.1 C\C=C\C(=O)O CUR-0100765 [0,0,1,0,0,0|2,0,1]=4 108 B5R0.2 C=CCCCN CUR-0089890 [0,0,1,0,0,0|3,0,0]=4 109 B5R0.2 CCCCC#N CUR-0002776 [0,0,1,0,0,0|2,0,1]=4 110 B5R0.2 CCCCC=O CUR-0020580 [0,0,1,0,0,0|1,0,0]=2 111 B5R0.2 CCCCCBr CUR-0020920 [0,0,1,0,0,0|2,0,1]=4 112 B5R0.2 CCCCCI CUR-0007389 [0,0,1,0,0,0|2,0,1]=4 113 B5R0.2 CCCCCN CUR-0101510 [0,0,1,0,0,0|2,0,1]=4 114 B5R0.2 CCCCCO CUR-0018736 [0,0,1,0,0,0|1,0,2]=4 115 B5R0.2 CCCCNC CUR-0101509 [0,0,1,0,0,0|2,0,1]=4 116 B5R0.2 CCCN=C=O CUR-0101493 [0,0,1,0,0,0|2,0,1]=4 117 B5R0.2 CCNCCCl CUR-0137711 [0,0,1,0,0,0|2,0,1]=4 118 B5R0.2 CCNCCO CUR-0101534 [0,0,1,0,0,0|1,0,2]=4 119 B5R0.2 CCOCCBr CUR-0026041 [0,0,1,0,0,0|1,1,1]=4 120 B5R0.2 CCOCCO CUR-0010841 [0,0,1,0,0,0|0,1,2]=4 121 B5R0.2 CCO\C=C\C CUR-0101289 [0,0,1,0,0,0|1,1,1]=4 122 B5R0.2 CNCCC#C CUR-0041404 [0,0,1,0,0,0|2,0,1]=4 123 B5R0.2 CNCCC#N CUR-0024199 [0,0,1,0,0,0|2,0,1]=4 124 B5R0.2 CNCCCN CUR-0101524 [0,0,1,0,0,0|2,0,1]=4 125 B5R0.2 CNCCNC CUR-0001888 [0,0,1,0,0,0|3,0,0]=4 126 B5R0.2 CNCCOC CUR-0101531 [0,0,1,0,0,0|2,1,0]=4 127 B5R0.2 COCCC#N CUR-0101494 [0,0,1,0,0,0|1,1,1]=4 128 B5R0.2 COCCCN CUR-0101530 [0,0,1,0,0,0|1,1,1]=4 129 B5R0.2 COCCNN CUR-0018740 [0,0,1,0,0,0|2,1,0]=4 130 B5R0.2 COCCOC CUR-0026380 [0,0,1,0,0,0|2,1,0]=4 131 B5R0.3 C(C(=O)CCl)Cl CUR-0101901 [0,0,1,0,0,0|2,0,0]=3 132 B5R0.3 CCC(=O)CC CUR-0101500 [0,0,1,0,0,0|1,0,0]=2 133 B5R0.3 CCC(C)CO CUR-0101523 [0,0,1,0,0,0|1,1,1]=4 134 B5R0.3 CCC(CC)Br CUR-0020873 [0,0,1,0,0,0|2,0,1]=4 135 B5R0.3 CCC(CO)N CUR-0101528 [0,0,1,0,0,0|1,1,1]=4 136 B5R0.3 CC\C(=N/O)\N CUR-0010533 [0,0,1,0,0,0|2,1,0]=4 137 B5R0.3 CNC(=O)C#C CUR-0016542 [0,0,1,0,0,0|2,0,1]=4 138 B5R0.3 CNC(=O)CCl CUR-0099536 [0,0,1,0,0,0|2,0,0]=3 139 B5R0.3 CNC(=O)NC CUR-0101521 [0,0,1,0,0,0|3,0,0]=4 140 B5R0.3 COC(=N)CCl CUR-0101034 [0,0,1,0,0,0|3,0,0]=4 141 B5R0.3 COC(=O)C#C CUR-0008050 [0,0,1,0,0,0|2,0,1]=4 142 B5R0.3 COC(=O)C=C CUR-0018588 [0,0,1,0,0,0|2,0,1]=4 143 B5R0.3 COC(=O)CBr CUR-0102451 [0,0,1,0,0,0|2,0,0]=3 144 B5R0.3 COC(=O)CCl CUR-0019510 [0,0,1,0,0,0|2,0,0]=3 145 B5R0.3 COC(=O)CN CUR-0016914 [0,0,1,0,0,0|2,0,0]=3 146 B5R0.3 COC(=O)CO CUR-0101535 [0,0,1,0,0,0|1,1,0]=3 147 B5R0.3 COC(=O)CS CUR-0014981 [0,0,1,0,0,0|1,0,0]=2 148 B5R0.3 COC(=O)NN CUR-0100906 [0,0,1,0,0,0|3,0,0]=4 149 B5R0.3 COC(=O)OC CUR-0101536 [0,0,1,0,0,0|3,0,0]=4 150 B7R2.13 C1C2C(O2)CO1 CUR-0101497 [0,0,0,1,0,0|0,1,2]=4 151 B7R2.13 C1CC2C(C1)O2 CUR-0001673 [0,0,0,1,0,0|1,0,2]=4 152 B7R2.13 C1CNC2C1C2 CUR-0015592 [0,0,0,1,0,0|2,0,1]=4 153 B5R1.2 C1C(CN1)O CUR-0015234 [0,0,0,0,1,0|1,0,2]=4 154 B5R1.2 C1C(CO1)O CUR-0028981 [0,0,0,0,1,0|0,1,2]=4 155 B5R1.2 C1CC(=O)C1 CUR-0005686 [0,0,0,0,1,0|0,0,0]=1 156 B5R1.2 C1CC(C1)Br CUR-0102047 [0,0,0,0,1,0|1,0,1]=3 157 B5R1.2 C1CC(C1)O CUR-0029256 [0,0,0,0,1,0|0,0,2]=3 158 B7R1.3 C1CC(CNC1)O CUR-0101604 [0,0,0,0,0,1|1,0,2]=4 159 B7R1.3 C1CC(COC1)N CUR-0090441 [0,0,0,0,0,1|1,1,1]=4 160 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [0,0,0,0,0,1|1,0,1]=3 161 B7R1.3 C1CCC(=O)CC1 CUR-0013382 [0,0,0,0,0,1|1,0,0]=2 162 B7R1.3 C1CCC(CC1)Br CUR-0027491 [0,0,0,0,0,1|2,0,1]=4 163 B7R1.3 C1CCC(CC1)N CUR-0004167 [0,0,0,0,0,1|2,0,1]=4 164 B7R1.3 C1CCC(CC1)O CUR-0020069 [0,0,0,0,0,1|1,0,2]=4 165 B7R1.3 C1CCNC(=O)C1 CUR-0002331 [0,0,0,0,0,1|1,0,0]=2 166 B7R1.3 C1CNC(=N)NC1 CUR-0096512 [0,0,0,0,0,1|3,0,0]=4 167 B7R1.3 C1CNC(=N)OC1 CUR-0096514 [0,0,0,0,0,1|3,0,0]=4 168 B7R1.3 C1CNC(=O)CN1 CUR-0101593 [0,0,0,0,0,1|1,0,0]=2 169 B7R1.3 C1CNC(=S)NC1 CUR-0101763 [0,0,0,0,0,1|2,1,0]=4 170 B7R1.3 C1CNCCC1=O CUR-0009294 [0,0,0,0,0,1|1,0,0]=2 171 B7R1.3 C1CNCCC1=O CUR-0102475 [0,0,0,0,0,1|1,0,0]=2 172 B7R1.3 C1CNCCC1O CUR-0021573 [0,0,0,0,0,1|1,0,2]=4 173 B7R1.3 C1COCC(=O)N1 CUR-0014967 [0,0,0,0,0,1|0,1,0]=2 174 B7R1.3 C1COCCC1=O CUR-0001478 [0,0,0,0,0,1|0,1,0]=2 175 B7R1.3 C1COCCC1O CUR-0101618 [0,0,0,0,0,1|0,1,2]=4 176 B7R1.3 C1COCCN1N CUR-0101622 [0,0,0,0,0,1|2,1,0]=4 177 B7R1.3 C1CSCC(=O)N1 CUR-0095816 [0,0,0,0,0,1|0,0,0]=1 178 B7R1.3 C1CSCCC1=O CUR-0005576 [0,0,0,0,0,1|0,0,0]=1 179 B7R1.3 C1CSCCC1N CUR-0026582 [0,0,0,0,0,1|1,0,1]=3 180 B7R1.3 C1NCNC(=S)N1 CUR-0095839 [0,0,0,0,0,1|2,1,0]=4 181 B7R1.3 CC1CCCCN1 CUR-0101581 [0,0,0,0,0,1|2,0,1]=4 182 B7R1.3 CC1CCCNC1 CUR-0013551 [0,0,0,0,0,1|2,0,1]=4 183 B7R1.3 CC1CCNCC1 CUR-0000849 [0,0,0,0,0,1|2,0,1]=4 184 B7R1.3 CC1CNCCN1 CUR-0101598 [0,0,0,0,0,1|2,0,1]=4 185 B7R1.3 CN1CCNCC1 CUR-0017087 [0,0,0,0,0,1|3,0,0]=4 186 B7R1.3 CN1CCOCC1 CUR-0027520 [0,0,0,0,0,1|2,1,0]=4 187 B4R0.1 C(C(=O)Br)Br CUR-0006369 [1,0,1,0,0,0|2,0,0]=4 188 B4R0.1 C(C(=O)Cl)Cl CUR-0004550 [1,0,1,0,0,0|2,0,0]=4 189 B4R0.1 C(C(=O)N)Br CUR-0014813 [1,0,1,0,0,0|2,0,0]=4 190 B4R0.1 C(C(=O)N)Cl CUR-0007516 [1,0,1,0,0,0|2,0,0]=4 191 B4R0.1 C(C(=O)N)N CUR-0101687 [1,0,1,0,0,0|2,0,0]=4 192 B4R0.1 C(C(=O)N)O CUR-0113957 [1,0,1,0,0,0|1,1,0]=4 193 B4R0.1 C(C(=O)O)Br CUR-0100788 [1,0,1,0,0,0|1,1,0]=4 194 B4R0.1 C(C(=O)O)Cl CUR-0003311 [1,0,1,0,0,0|1,1,0]=4 195 B4R0.1 C(C(=O)O)I CUR-0003176 [1,0,1,0,0,0|1,1,0]=4 196 B4R0.1 C(C(=O)O)N CUR-0014574 [1,0,1,0,0,0|1,1,0]=4 197 B4R0.1 C(C(=O)O)N CUR-0101231 [1,0,1,0,0,0|1,1,0]=4 198 B4R0.1 C(C(=O)O)O CUR-0014667 [1,0,1,0,0,0|1,1,0]=4 199 B4R0.1 C(C(=O)O)S CUR-0101545 [1,0,1,0,0,0|1,0,0]=3 200 B4R0.1 CC(=C)CCl CUR-0011941 [1,0,1,0,0,0|2,0,0]=4 201 B4R0.1 CC(=C)OC CUR-0101450 [1,0,1,0,0,0|1,1,0]=4 202 B4R0.1 CC(=O)C=C CUR-0013098 [1,0,1,0,0,0|0,0,2]=4 203 B4R0.1 CC(=O)C=O CUR-0101448 [1,0,1,0,0,0|0,1,1]=4 204 B4R0.1 CC(=O)CCl CUR-0002239 [1,0,1,0,0,0|1,0,0]=3 205 B4R0.1 CC(=O)CO CUR-0005016 [1,0,1,0,0,0|0,1,0]=3 206 B4R0.1 CC(CS)N CUR-0021165 [1,0,1,0,0,0|1,0,1]=4 207 B4R0.1 CCC(=O)Cl CUR-0101547 [1,0,1,0,0,0|1,0,0]=3 208 B4R0.1 CCC(=O)N CUR-0101453 [1,0,1,0,0,0|1,0,0]=3 209 B4R0.1 CCC(=O)O CUR-0010221 [1,0,1,0,0,0|0,1,0]=3 210 B4R0.1 CCC(C)Br CUR-0102085 [1,0,1,0,0,0|1,0,1]=4 211 B4R0.1 CCC(C)I CUR-0055396 [1,0,1,0,0,0|1,0,1]=4 212 B4R0.1 CCC(C)N CUR-0001789 [1,0,1,0,0,0|1,0,1]=4 213 B4R0.1 CCN(C)C CUR-0101456 [1,0,1,0,0,0|2,0,0]=4 214 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [1,0,1,0,0,0|1,1,0]=4 215 B4R0.1 CNC(=O)N CUR-0025342 [1,0,1,0,0,0|2,0,0]=4 216 B4R0.1 COC(=O)Cl CUR-0019109 [1,0,1,0,0,0|1,1,0]=4 217 B4R0.1 CSC(=N)N CUR-0104011 [1,0,1,0,0,0|2,0,0]=4 218 B4R0.2 C(CS)CS CUR-0006323 [1,0,1,0,0,0|0,1,1]=4 219 B4R0.2 C=CCCBr CUR-0002027 [1,0,1,0,0,0|1,0,1]=4 220 B4R0.2 C=CCCI CUR-0000685 [1,0,1,0,0,0|1,0,1]=4 221 B4R0.2 C=CCCO CUR-0101449 [1,0,1,0,0,0|0,1,1]=4 222 B4R0.2 CCCC#N CUR-0101440 [1,0,1,0,0,0|1,0,1]=4 223 B4R0.2 CCCC=O CUR-0100896 [1,0,1,0,0,0|0,0,0]=2 224 B4R0.2 CCCCBr CUR-0023794 [1,0,1,0,0,0|1,0,1]=4 225 B4R0.2 CCCCCl CUR-0023945 [1,0,1,0,0,0|1,0,1]=4 226 B4R0.2 CCCCI CUR-0001021 [1,0,1,0,0,0|1,0,1]=4 227 B4R0.2 CCCCN CUR-0017800 [1,0,1,0,0,0|1,0,1]=4 228 B4R0.2 CCCCN CUR-0101317 [1,0,1,0,0,0|1,0,1]=4 229 B4R0.2 CCCCO CUR-0016718 [1,0,1,0,0,0|0,0,2]=4 230 B4R0.2 CCCNN CUR-0022831 [1,0,1,0,0,0|2,0,0]=4 231 B4R0.2 CCN=C=O CUR-0101447 [1,0,1,0,0,0|1,0,1]=4 232 B4R0.2 CCNCC CUR-0022731 [1,0,1,0,0,0|1,0,1]=4 233 B4R0.2 CCNCC CUR-0101285 [1,0,1,0,0,0|1,0,1]=4 234 B4R0.2 CCOC=C CUR-0100764 [1,0,1,0,0,0|0,1,1]=4 235 B4R0.2 CCOC=O CUR-0010493 [1,0,1,0,0,0|0,1,0]=3 236 B4R0.2 CNCCI CUR-0017490 [1,0,1,0,0,0|2,0,0]=4 237 B4R0.2 CNCCO CUR-0011813 [1,0,1,0,0,0|1,0,1]=4 238 B4R0.2 COCCBr CUR-0009505 [1,0,1,0,0,0|1,1,0]=4 239 B4R0.2 COCCCl CUR-0000941 [1,0,1,0,0,0|1,1,0]=4 240 B4R0.2 COCCN CUR-0012344 [1,0,1,0,0,0|1,1,0]=4 241 B4R0.2 COCCO CUR-0101466 [1,0,1,0,0,0|0,1,1]=4 242 B4R0.2 COCOC CUR-0101465 [1,0,1,0,0,0|1,1,0]=4 243 B4R0.2 CSCCN CUR-0101544 [1,0,1,0,0,0|1,0,0]=3 244 B4R0.2 C\C=C\C=O CUR-0001472 [1,0,1,0,0,0|0,0,2]=4 245 B6R0.1 CC(CSC)NC CUR-0022342 [0,1,1,0,0,0|1,0,1]=4 246 B6R0.1 CCC(=O)OCC CUR-0101621 [0,1,1,0,0,0|2,0,0]=4 247 B6R0.1 CCCC(C)C=O CUR-0101597 [0,1,1,0,0,0|1,0,1]=4 248 B6R0.1 CCNC(=O)CCl CUR-0099539 [0,1,1,0,0,0|2,0,0]=4 249 B6R0.1 CCOC(=O)CBr CUR-0001682 [0,1,1,0,0,0|2,0,0]=4 250 B6R0.1 CCOC(=O)CCl CUR-0015757 [0,1,1,0,0,0|2,0,0]=4 251 B6R0.1 CCOC(=O)CF CUR-0101650 [0,1,1,0,0,0|2,0,0]=4 252 B6R0.1 CCOC(=O)CN CUR-0024509 [0,1,1,0,0,0|2,0,0]=4 253 B6R0.1 CCOC(=O)CO CUR-0101638 [0,1,1,0,0,0|2,0,0]=4 254 B6R0.1 CNC(=O)CC#N CUR-0098025 [0,1,1,0,0,0|1,0,1]=4 255 B6R0.1 CNCC(=O)OC CUR-0102132 [0,1,1,0,0,0|1,0,0]=3 256 B6R0.1 COC(=O)CC#N CUR-0022414 [0,1,1,0,0,0|1,0,1]=4 257 B6R0.1 COC(=O)CCS CUR-0005277 [0,1,1,0,0,0|0,0,0]=2 258 B6R0.1 COCC(=O)OC CUR-0101636 [0,1,1,0,0,0|0,1,0]=3 259 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [0,1,1,0,0,0|1,0,1]=4 260 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [0,1,1,0,0,0|1,0,0]=3 261 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [0,1,1,0,0,0|0,1,1]=4 262 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,1,1,0,0,0|1,0,0]=3 263 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [0,1,1,0,0,0|2,0,0]=4 264 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,1,1,0,0,0|2,0,0]=4 265 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [0,1,1,0,0,0|2,0,0]=4 266 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [0,1,1,0,0,0|1,1,0]=4 267 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [0,1,1,0,0,0|1,0,0]=3 268 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [0,1,1,0,0,0|1,1,0]=4 269 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [0,1,1,0,0,0|1,0,0]=3 270 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [0,1,1,0,0,0|1,0,0]=3 271 B6R0.3 CC(=O)C(=O)OC CUR-0100866 [0,1,1,0,0,0|0,1,1]=4 272 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [0,1,1,0,0,0|2,0,0]=4 273 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [0,1,1,0,0,0|2,0,0]=4 274 B6R0.3 CCC(C(=O)O)N CUR-0010659 [0,1,1,0,0,0|2,0,0]=4 275 B6R0.3 CCC(C)C(=O)O CUR-0101619 [0,1,1,0,0,0|2,0,0]=4 276 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [0,1,1,0,0,0|2,0,0]=4 277 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [0,1,1,0,0,0|2,0,0]=4 278 B6R0.4 C(CC(=O)O)CN CUR-0010241 [0,1,1,0,0,0|2,0,0]=4 279 B6R0.4 C(CNC(=O)N)N CUR-0013187 [0,1,1,0,0,0|2,0,0]=4 280 B6R0.4 C=CCCC(=O)O CUR-0101586 [0,1,1,0,0,0|2,0,0]=4 281 B6R0.4 CC(=O)CCCCl CUR-0004280 [0,1,1,0,0,0|1,0,0]=3 282 B6R0.4 CCCCC(=O)C CUR-0101595 [0,1,1,0,0,0|1,0,0]=3 283 B6R0.4 CCCCC(=O)Cl CUR-0101805 [0,1,1,0,0,0|2,0,0]=4 284 B6R0.4 CCCCC(=O)O CUR-0101620 [0,1,1,0,0,0|2,0,0]=4 285 B6R0.4 CCOCC(=O)O CUR-0101637 [0,1,1,0,0,0|1,1,0]=4 286 B6R0.4 COCCC(=O)O CUR-0012995 [0,1,1,0,0,0|1,1,0]=4 287 B6R0.5 CS(=O)(=O)CCO CUR-0101869 [0,1,1,0,0,0|1,1,0]=4 288 B6R0.6 C(CC=O)CC=O CUR-0101590 [0,1,1,0,0,0|1,0,1]=4 289 B6R0.6 C(CSCCO)O CUR-0101840 [0,1,1,0,0,0|0,0,2]=4 290 B6R0.6 CCCCOC=C CUR-0002040 [0,1,1,0,0,0|2,0,0]=4 291 B6R0.6 COCCN=C=O CUR-0101602 [0,1,1,0,0,0|0,1,1]=4 292 B6R0.9 CCC(CC)C=O CUR-0009845 [0,1,1,0,0,0|1,0,1]=4 293 B6R1.4 CC1CCC1N CUR-0163343 [0,1,0,0,1,0|1,0,1]=4 294 B6R1.4 CC1CCC1O CUR-0090358 [0,1,0,0,1,0|0,0,2]=4 295 B6R1.6 C1CC(C1)CBr CUR-0003993 [0,1,0,0,1,0|1,0,1]=4 296 B6R1.6 C1CC(C1)CO CUR-0022828 [0,1,0,0,1,0|0,0,2]=4 297 B6R1.6 C1CC(C1)NN CUR-0100630 [0,1,0,0,1,0|1,0,1]=4 298 B6R1.6 CNC1CCC1 CUR-0010771 [0,1,0,0,1,0|1,0,1]=4 299 B8R1.2 C1CC(=COC1)C=O CUR-0100474 [0,1,0,0,0,1|0,1,1]=4 300 B8R1.2 C1CC(CC=C1)C=O CUR-0018878 [0,1,0,0,0,1|1,0,1]=4 301 B8R1.2 C1CC(COC1)C=O CUR-0006884 [0,1,0,0,0,1|0,1,1]=4 302 B8R1.2 C1CCC(=NO)CC1 CUR-0008698 [0,1,0,0,0,1|1,0,1]=4 303 B8R1.2 C1CCC(CC1)C=O CUR-0101704 [0,1,0,0,0,1|1,0,1]=4 304 B8R1.2 C1CCN(CC1)C=O CUR-0012773 [0,1,0,0,0,1|2,0,0]=4 305 B8R1.2 C1CN(CCN1)C=O CUR-0101722 [0,1,0,0,0,1|2,0,0]=4 306 B8R1.2 C1COCCN1C=O CUR-0000742 [0,1,0,0,0,1|1,1,0]=4 307 B8R1.2 C1CSCCC1=NO CUR-0009442 [0,1,0,0,0,1|0,0,1]=3 308 B8R1.3 C1C(SCC(S1)O)O CUR-0102443 [0,1,0,0,0,1|0,0,2]=4 309 B8R1.3 C1CC(=O)NCC1N CUR-0023298 [0,1,0,0,0,1|1,0,0]=3 310 B8R1.3 C1CC(=O)NCC1N CUR-0094615 [0,1,0,0,0,1|1,0,0]=3 311 B8R1.3 C=C1CCC(CC1)N CUR-0123168 [0,1,0,0,0,1|2,0,0]=4 312 B8R1.3 CC1CCC(=O)CC1 CUR-0016613 [0,1,0,0,0,1|1,0,0]=3 313 B8R1.3 CN1CCC(=O)CC1 CUR-0101707 [0,1,0,0,0,1|1,0,0]=3 314 B8R1.4 C1C(=O)NC(=O)CO1 CUR-0123188 [0,1,0,0,0,1|0,1,1]=4 315 B8R1.4 C1CC(=O)CC(=O)C1 CUR-0019886 [0,1,0,0,0,1|1,0,0]=3 316 B8R1.4 C1CC(=O)OC(=O)C1 CUR-0009916 [0,1,0,0,0,1|1,0,1]=4 317 B8R1.4 CC1CCCC(=O)C1 CUR-0101702 [0,1,0,0,0,1|1,0,0]=3 318 B8R1.5 C1CC(C(=O)NC1)Br CUR-0014307 [0,1,0,0,0,1|1,0,0]=3 319 B8R1.5 C1CC(C(=O)OC1)Br CUR-0008409 [0,1,0,0,0,1|1,0,0]=3 320 B8R1.5 C1CCC(=O)C(C1)Cl CUR-0101998 [0,1,0,0,0,1|1,0,0]=3 321 B8R1.5 CC1C(=O)NCCN1 CUR-0001671 [0,1,0,0,0,1|1,0,0]=3 322 B8R1.5 CC1C(SCCN1)C CUR-0002582 [0,1,0,0,0,1|1,0,1]=4 323 B8R1.5 CC1CCCCC1=O CUR-0101703 [0,1,0,0,0,1|1,0,0]=3 324 B8R1.5 CN1CCNCC1=O CUR-0091495 [0,1,0,0,0,1|1,0,0]=3 325 B8R1.1 C1C(CNC1=O)CBr CUR-0022348 [0,2,0,0,0,0|2,0,0]=4 326 B8R1.1 C1C(CNC1=O)CN CUR-0046714 [0,2,0,0,0,0|2,0,0]=4 327 B8R1.1 C1C(CNC1=O)CO CUR-0098527 [0,2,0,0,0,0|2,0,0]=4 328 B8R1.1 C1CC(=O)NC1CN CUR-0094491 [0,2,0,0,0,0|2,0,0]=4 329 B8R1.1 C1CC(=O)NC1CO CUR-0028114 [0,2,0,0,0,0|2,0,0]=4 330 B8R1.1 CNC1CC(=O)NC1 CUR-0011593 [0,2,0,0,0,0|2,0,0]=4 331 B8R1.7 C1CCC(C1)C(=O)O CUR-0019739 [0,2,0,0,0,0|1,0,1]=4 332 B8R1.7 C1CNCC1C(=O)N CUR-0028604 [0,2,0,0,0,0|1,0,1]=4 333 B8R1.7 C1COCC1C(=O)O CUR-0024198 [0,2,0,0,0,0|0,1,1]=4 334 B8R1.7 C1[C@H](NCS1)C(=O)O CUR-0102015 [0,2,0,0,0,0|1,0,1]=4 335 B8R1.8 C1CCC(C1)N=C=O CUR-0101692 [0,2,0,0,0,0|1,0,1]=4 336 B8R1.8 C1COCC1N=C=O CUR-0026873 [0,2,0,0,0,0|0,1,1]=4 337 B8R1.8 C1CSCC1N=[N+]=[N-] CUR-0127168 [0,2,0,0,0,0|1,0,1]=4 338 B8R1.11 C1CC(=O)N(C1)CCl CUR-0095842 [0,2,0,0,0,0|2,0,0]=4 339 B8R1.11 C=CN1CCCC1=O CUR-0026598 [0,2,0,0,0,0|2,0,0]=4 340 B8R1.11 CNC1CCNC1=O CUR-0087614 [0,2,0,0,0,0|2,0,0]=4 341 B8R1.18 CC1CC(C(=O)O1)Br CUR-0020365 [0,2,0,0,0,0|2,0,0]=4 342 B8R1.18 CN1CC(=O)CC1=O CUR-0055835 [0,2,0,0,0,0|1,0,1]=4 343 B8R1.18 CN1CC(CC1=O)N CUR-0086561 [0,2,0,0,0,0|2,0,0]=4 344 B8R1.50 C1CC(=O)N(C1=O)Br CUR-0027333 [0,2,0,0,0,0|2,0,0]=4 345 B8R1.50 C1CC(=O)N(C1=O)Cl CUR-0024886 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.50 C1CC(=O)N(C1=O)I CUR-0103727 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.50 C1CC(=O)N(C1=O)O CUR-0010898 [0,2,0,0,0,0|2,0,0]=4 348 B8R1.50 CN1CCC(C1=O)Br CUR-0011211 [0,2,0,0,0,0|2,0,0]=4 349 B8R1.50 CN1CCC(C1=O)N CUR-0012125 [0,2,0,0,0,0|2,0,0]=4 350 B8R1.50 CN1CCC(C1=O)O CUR-0013744 [0,2,0,0,0,0|2,0,0]=4 351 B8R1.51 C1CS(=O)(=O)CC1Br CUR-0059673 [0,2,0,0,0,0|2,0,0]=4 352 B8R1.51 C1CS(=O)(=O)CC1Cl CUR-0096162 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.51 C1CS(=O)(=O)CC1N CUR-0011613 [0,2,0,0,0,0|2,0,0]=4 354 B8R1.51 C1CS(=O)(=O)CC1N CUR-0100592 [0,2,0,0,0,0|2,0,0]=4 355 B8R1.51 C1CS(=O)(=O)CC1O CUR-0005932 [0,2,0,0,0,0|2,0,0]=4 356 B8R1.51 C1CS(=O)(=O)CC1S CUR-0034252 [0,2,0,0,0,0|2,0,0]=4 357 B8R1.19 CC1(CCCC1=O)C CUR-0099926 [0,2,0,0,0,0|1,0,0]=3 358 B6R1.8 C=C1CC1CO CUR-0163362 [0,0,1,1,0,0|1,1,0]=4 359 B6R1.11 C1CC1C(=O)Cl CUR-0101645 [0,0,1,1,0,0|2,0,0]=4 360 B6R1.11 C1CC1C(=O)O CUR-0027058 [0,0,1,1,0,0|2,0,0]=4 361 B6R1.11 CC(=O)C1CC1 CUR-0020622 [0,0,1,1,0,0|1,0,0]=3 362 B6R1.1 C1CCC=CC1 CUR-0022869 [0,0,1,1,0,0|2,0,0]=4 363 B6R1.1 C1CSCCN1 CUR-0101634 [0,0,1,1,0,0|1,0,1]=4 364 B8R2.34 C1C2CNC1CS2 CUR-0125072 [0,0,0,1,0,1|1,0,1]=4 365 B4R1.1 C1CNC1 CUR-0026397 [1,0,0,0,1,0|1,0,0]=3 366 B4R1.2 C1CC1Br CUR-0101807 [0,0,0,0,2,0|1,0,1]=4 367 B4R1.2 C1CC1N CUR-0000296 [0,0,0,0,2,0|1,0,1]=4 368 B8R1.22 C1CC(=O)CCNC1 CUR-0099157 [0,0,0,0,0,2|1,0,0]=3 369 B8R1.22 C1CCC(=O)NCC1 CUR-0022015 [0,0,0,0,0,2|1,0,0]=3 370 B8R1.22 C1CCC(=O)OCC1 CUR-0101418 [0,0,0,0,0,2|1,0,0]=3 371 B8R1.22 C1CCCC(=O)CC1 CUR-0004176 [0,0,0,0,0,2|1,0,0]=3 372 B8R1.22 C1CNCCNC1=O CUR-0003886 [0,0,0,0,0,2|1,0,0]=3