0 B9R1.35 CC(=O)N1CCC(=O)C1 HR116402 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(C)C1COC(=O)N1 ATXF02509 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC(C)C1COC(=O)N1 HR126546 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC1=CN=C(C(=O)O)N1 HR109185 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 CC1CCC(C(=O)O)N1 HR139798 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.35 CC1CNC(C(=O)O)C1 HR112962 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 CN1CCC(C(=O)O)C1 HR110153 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CN1CCC(C(=O)O)C1 HR119950 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 NC1=CN=C(C(=O)O)N1 HR105223 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 NC1=NC(C(=O)O)CS1 HR129148 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 NC1CCC(C(=O)O)C1 HR139989 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 NC1CCC(C(=O)O)C1 HR145717 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 NC1CCC(C(=O)O)C1 HR145718 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 NC1CCC(C(=O)O)C1 HR145728 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.35 NC1CCC(C(=O)O)C1 HR145729 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.35 NC1CCC(C(=O)O)C1 HR145730 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.35 NC1CCC(C(=O)O)C1 HR145731 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.35 O=C(O)C1CC(Br)CN1 HR140082 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 O=C(O)C1CC(Br)CN1 HR140177 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.35 O=C(O)C1CC(F)CN1 HR108720 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 O=C(O)C1CC(F)CN1 HR139799 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 O=C(O)C1CC(F)CN1 HR139893 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.35 O=C(O)C1CC(F)CN1 HR139990 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.35 O=C(O)C1CC(O)CN1 HR101774 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.35 O=C(O)C1CC(O)CN1 HR117442 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.35 O=C(O)C1CC(O)CN1 HR130957 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.35 O=C(O)C1CC(O)CN1 HR133285 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.35 O=C(O)C1CC(O)CN1 HR134096 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.35 O=C(O)C1CC(O)CN1 HR136136 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.35 O=C(O)C1CC(O)CN1 HR139314 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.35 O=C(O)C1CCC(O)C1 HR145784 [0,0,0,0,0,0|1,0,2]=3 31 B9R1.35 O=C(O)C1CCC(O)C1 HR145786 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.35 O=C(O)C1CCC(O)C1 HR145787 [0,0,0,0,0,0|1,0,2]=3 33 B9R1.35 O=C(O)C1CCC(O)C1 HR145788 [0,0,0,0,0,0|1,0,2]=3 34 B9R1.35 O=C1CCC(C(=O)O)C1 HR108854 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.35 O=C1CCC(C(=O)O)C1 HR114929 [0,0,0,0,0,0|1,0,0]=1 36 B9R1.35 O=C1CCC(C(=O)O)C1 HR145811 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.35 O=C1CCC(C(=O)O)N1 FAXM00201 [0,0,0,0,0,0|0,0,0]=0 38 B9R1.35 O=C1CCC(C(=O)O)N1 HR124489 [0,0,0,0,0,0|0,0,0]=0 39 B9R1.35 O=C1CCC(C(=O)O)N1 HR8103 [0,0,0,0,0,0|0,0,0]=0 40 B9R1.35 O=C1CCC(C(=O)O)O1 HR127855 [0,0,0,0,0,0|1,0,0]=1 41 B9R1.35 O=C1CCC(C(=O)[O-])N1 HR141507 [0,0,0,0,0,0|0,0,1]=1 42 B9R1.35 O=C1NC(C(=O)O)CS1 HR131860 [0,0,0,0,0,0|1,0,0]=1 43 B8R1.1 C=CC1CCC(=O)N1 HR117010 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.1 C=CC1CCC(=O)O1 HR127408 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.1 C=CC1COC(=O)O1 HR135385 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.1 CCC1CCC(=O)O1 HR137195 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.1 O=C1CCC(CBr)N1 HR147112 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.1 O=C1CCC(CO)N1 HR107754 [1,0,0,0,0,0|0,0,1]=2 49 B8R1.1 O=C1CCC(CO)N1 HR126441 [1,0,0,0,0,0|0,0,1]=2 50 B8R1.1 O=C1CCC(CO)N1 HR130096 [1,0,0,0,0,0|0,0,1]=2 51 B8R1.1 O=C1CCC(CO)O1 HR113766 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.1 O=C1CCC(CO)O1 HR145842 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.1 O=C1CCC(CO)O1 HR145872 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.1 O=C1NC(CI)CO1 HR146345 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.1 O=C1OCC(CO)O1 HR107356 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.7 CC(=O)C1CCCC1 HR120520 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.7 NC(=O)C1CCCN1 HR112229 [1,0,0,0,0,0|1,0,1]=3 58 B8R1.7 NC(=O)C1CCCN1 HR120776 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.7 NC(=O)C1CCCN1 HR125014 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.7 NC(=O)C1CCCN1 HR125279 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.7 NC(=O)C1CCCN1 HR133421 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.7 NC(=O)C1CCCN1 HR145038 [1,0,0,0,0,0|1,0,1]=3 63 B8R1.7 NC(=O)C1CCNC1 HR105323 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 O=C(Cl)C1CCCC1 HR129546 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.7 O=C(O)C1=CC=CN1 HR15698 [1,0,0,0,0,0|0,0,3]=4 66 B8R1.7 O=C(O)C1=NC=CN1 HR122739 [1,0,0,0,0,0|1,0,2]=4 67 B8R1.7 O=C(O)C1C=CCN1 HR105555 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.7 O=C(O)C1C=CCN1 HR117236 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.7 O=C(O)C1CC=CC1 HR137833 [1,0,0,0,0,0|1,0,1]=3 70 B8R1.7 O=C(O)C1CCCC1 HR124454 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.7 O=C(O)C1CCCN1 HR122958 [1,0,0,0,0,0|0,0,1]=2 72 B8R1.7 O=C(O)C1CCCN1 HR136921 [1,0,0,0,0,0|0,0,1]=2 73 B8R1.7 O=C(O)C1CCCN1 HR142963 [1,0,0,0,0,0|0,0,1]=2 74 B8R1.7 O=C(O)C1CCCN1 SASA03107 [1,0,0,0,0,0|0,0,1]=2 75 B8R1.7 O=C(O)C1CCCO1 HR129714 [1,0,0,0,0,0|1,0,1]=3 76 B8R1.7 O=C(O)C1CCCO1 HR135878 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.7 O=C(O)C1CCCO1 HR136153 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.7 O=C(O)C1CCNC1 HR110045 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.7 O=C(O)C1CCNC1 HR124075 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.7 O=C(O)C1CCNC1 HR139411 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.7 O=C(O)C1CCNC1 HR16223 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.7 O=C(O)C1CCOC1 HR109306 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.7 O=C(O)C1CCOC1 HR110235 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.7 O=C(O)C1CCOC1 HR111915 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.7 O=C(O)C1CSCN1 HR136394 [1,0,0,0,0,0|1,0,1]=3 86 B8R1.7 O=C(O)C1CSCN1 HR137574 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.7 O=C(O)C1NCCS1 HR146541 [1,0,0,0,0,0|1,0,1]=3 88 B10R1.14 COC(=O)C1CCC(=O)C1 HR111383 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.14 COC(=O)C1CCC(=O)N1 HR128265 [0,1,0,0,0,0|0,0,0]=1 90 B10R1.14 COC(=O)C1CCC(=O)N1 HR149022 [0,1,0,0,0,0|0,0,0]=1 91 B10R1.14 COC(=O)C1CNC(=O)C1 HR110388 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.14 COC(=O)N1CCC(=O)C1 HR117044 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.58 CN1CC(C(=O)O)CC1=O HR142098 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.58 CN1CC(C(N)=O)CC1=O HR142028 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.194 CN1C(=O)CCC1C(=O)O HR33731 [0,1,0,0,0,0|0,0,0]=1 96 B10R1.359 O=C(O)C1CCC(F)(F)C1 HR151257 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.8 CCCCC(Br)C(=O)O HR127260 [0,0,1,0,0,0|2,0,1]=4 98 B8R0.8 CCCCC(C)C(=O)O HR121647 [0,0,1,0,0,0|2,0,1]=4 99 B8R0.8 CCCCC(N)C(=O)O HR133839 [0,0,1,0,0,0|1,0,1]=3 100 B8R0.8 CCCCC(N)C(=O)O HR134634 [0,0,1,0,0,0|1,0,1]=3 101 B8R0.8 CCCCC(N)C(=O)O HR134894 [0,0,1,0,0,0|1,0,1]=3 102 B8R0.8 CSCCC(N)C(=O)O HR100026 [0,0,1,0,0,0|2,0,0]=3 103 B8R0.8 CSCCC(N)C(=O)O HR123144 [0,0,1,0,0,0|2,0,0]=3 104 B8R0.8 CSCCC(N)C(=O)O HR123406 [0,0,1,0,0,0|2,0,0]=3 105 B8R0.8 CSCCC(N)C(=O)O HR132929 [0,0,1,0,0,0|2,0,0]=3 106 B8R0.8 CSCCC(N)C(=O)O HR137287 [0,0,1,0,0,0|2,0,0]=3 107 B8R0.8 CSCCC(N)C(N)=O HR114117 [0,0,1,0,0,0|3,0,0]=4 108 B8R0.8 CSCCC(N)C(O)=[Se] HR126623 [0,0,1,0,0,0|2,1,0]=4 109 B8R0.8 CSCCC(N)[13C](=O)O HR140512 [0,0,1,0,0,0|2,0,0]=3 110 B8R0.8 CSCCC(O)C(=O)O HR136742 [0,0,1,0,0,0|3,0,0]=4 111 B8R0.8 C[35S]CCC(N)C(=O)O HR143199 [0,0,1,0,0,0|2,0,0]=3 112 B8R0.8 C[Se]CCC(N)C(=O)O HR129810 [0,0,1,0,0,0|2,0,0]=3 113 B8R0.8 NC(CCCO)C(=O)O HR114281 [0,0,1,0,0,0|0,0,2]=3 114 B8R0.8 NCCCC(N)C(=O)O HR123396 [0,0,1,0,0,0|1,0,1]=3 115 B8R0.8 NCCCC(N)C(=O)O HR123926 [0,0,1,0,0,0|1,0,1]=3 116 B8R0.8 NCCCC(N)C(=O)O HR124308 [0,0,1,0,0,0|1,0,1]=3 117 B8R0.8 NCCCC(N)C(=O)O HR135672 [0,0,1,0,0,0|1,0,1]=3 118 B8R0.8 NCCCC(N)C(=O)O HR142321 [0,0,1,0,0,0|1,0,1]=3 119 B8R0.8 NCCCC(N)C(=O)O HR143440 [0,0,1,0,0,0|1,0,1]=3 120 B8R0.8 NCCCC(N)C(=O)O ORJL01301 [0,0,1,0,0,0|1,0,1]=3 121 B8R0.9 CCC(=O)CCC(C)=O HR121178 [0,0,1,0,0,0|2,0,0]=3 122 B8R0.9 COC(=O)CCC(=O)Cl HR123462 [0,0,1,0,0,0|3,0,0]=4 123 B8R0.9 COC(=O)CCC(=O)[O-] HR138200 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.9 COC(=O)\C=C\C(=O)O MOJB01402 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.9 NCC(=O)CCC(=O)O HR115792 [0,0,1,0,0,0|2,0,0]=3 126 B8R0.9 NCC(=O)CCC(=O)O HR124289 [0,0,1,0,0,0|2,0,0]=3 127 B8R0.9 NCC(=O)NCC(=O)O HR100015 [0,0,1,0,0,0|1,0,0]=2 128 B8R0.23 CC(=O)NC(C)C(=O)O HR123754 [0,0,1,0,0,0|0,0,0]=1 129 B8R0.23 CC(=O)NC(C)C(=O)O HR130455 [0,0,1,0,0,0|0,0,0]=1 130 B8R0.23 CC(=O)NC(C)C(=O)O HR139475 [0,0,1,0,0,0|0,0,0]=1 131 B8R0.23 CC(=O)NC(C)C(N)=O HR123489 [0,0,1,0,0,0|1,0,0]=2 132 B8R0.23 CC(=O)OC(C)C(=O)Cl HR134862 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.23 CC(=O)OC(C)C(=O)O HR114068 [0,0,1,0,0,0|1,0,0]=2 134 B8R0.23 CC(=O)OC(C)C(=O)O HR117573 [0,0,1,0,0,0|1,0,0]=2 135 B8R0.23 CC(=O)OC(C)C(C)=O HR135424 [0,0,1,0,0,0|2,0,0]=3 136 B8R0.23 CC(CC(=O)O)C(=O)O HR106543 [0,0,1,0,0,0|2,0,0]=3 137 B8R0.23 CC(CC(=O)O)C(=O)O HR134361 [0,0,1,0,0,0|2,0,0]=3 138 B8R0.23 CS(=O)CC(N)C(=O)O HR134447 [0,0,1,0,0,0|3,0,0]=4 139 B8R0.23 C\C(=C/C(=O)O)C(=O)O HR122671 [0,0,1,0,0,0|2,0,1]=4 140 B8R0.23 C\C(=C/C(=O)O)C(=O)O HR122936 [0,0,1,0,0,0|2,0,1]=4 141 B8R0.23 NC(=O)CC(N)C(=O)O HR128740 [0,0,1,0,0,0|3,0,0]=4 142 B8R0.23 NC(=O)CC(N)C(=O)O HR129004 [0,0,1,0,0,0|3,0,0]=4 143 B8R0.23 NC(=O)CC(N)C(=O)O HR129935 [0,0,1,0,0,0|3,0,0]=4 144 B8R0.23 NC(=O)CC(N)C(=O)O HR133228 [0,0,1,0,0,0|3,0,0]=4 145 B8R0.23 NC(=O)CC(N)C(=O)O HR133501 [0,0,1,0,0,0|3,0,0]=4 146 B8R0.23 NC(CC(=O)O)C(=O)O HR126814 [0,0,1,0,0,0|3,0,0]=4 147 B8R0.23 NC(CC(=O)O)C(=O)O HR135475 [0,0,1,0,0,0|3,0,0]=4 148 B8R0.23 NC(CC(=O)O)C(=O)O TECQ02802 [0,0,1,0,0,0|3,0,0]=4 149 B8R0.23 NC(CC(=O)[O-])C(=O)O HR125029 [0,0,1,0,0,0|3,0,0]=4 150 B8R0.23 O=C(O)CC(Br)C(=O)O HR127726 [0,0,1,0,0,0|3,0,0]=4 151 B8R0.23 O=C(O)CC(Br)C(=O)O HR127823 [0,0,1,0,0,0|3,0,0]=4 152 B8R0.23 O=C(O)CC(Cl)C(=O)O HR109410 [0,0,1,0,0,0|3,0,0]=4 153 B8R0.23 O=C(O)CC(O)C(=O)O HR129431 [0,0,1,0,0,0|3,0,0]=4 154 B8R0.23 O=C(O)CC(O)C(=O)O HR131010 [0,0,1,0,0,0|3,0,0]=4 155 B8R0.23 O=C(O)CC(O)C(=O)O HR135274 [0,0,1,0,0,0|3,0,0]=4 156 B8R0.23 O=C(O)CC(O)C(=O)O HR7917 [0,0,1,0,0,0|3,0,0]=4 157 B8R0.23 O=C(O)CC(S)C(=O)O HR123669 [0,0,1,0,0,0|3,0,0]=4 158 B8R0.28 CC(=O)C\C=C\C(=O)O HR110909 [0,0,1,0,0,0|1,0,2]=4 159 B8R0.28 CN(C)CCCC(=O)O HR125161 [0,0,1,0,0,0|3,0,0]=4 160 B8R0.28 N=C(N)NCCC(=O)O HR123675 [0,0,1,0,0,0|2,0,0]=3 161 B8R0.28 N=C(S)NCCC(=O)O HR129341 [0,0,1,0,0,0|1,1,1]=4 162 B8R0.28 O=C(Cl)CCCC(=O)Cl HR142561 [0,0,1,0,0,0|2,0,0]=3 163 B8R0.28 O=C(O)CCCC(=O)O HR132258 [0,0,1,0,0,0|1,0,0]=2 164 B8R0.28 O=C(O)CNCC(=O)O HR138649 [0,0,1,0,0,0|2,0,0]=3 165 B8R0.28 O=C(O)COCC(=O)O HR121403 [0,0,1,0,0,0|2,0,0]=3 166 B8R0.28 O=C(O)CSCC(=O)O HR124866 [0,0,1,0,0,0|2,0,0]=3 167 B8R0.28 O=C([O-])CCCC(=O)[O-] HR145446 [0,0,1,0,0,0|1,0,1]=3 168 B8R0.28 O=C([O-])CNCC(=O)[O-] HR127835 [0,0,1,0,0,0|2,0,1]=4 169 B10R2.357 NC(=O)C1CC2CC2N1 HR101806 [0,0,0,1,0,0|2,0,1]=4 170 B10R2.357 NC(=O)C1CC2CC2N1 HR108867 [0,0,0,1,0,0|2,0,1]=4 171 B10R2.357 NC(=O)C1CC2CC2N1 HR142125 [0,0,0,1,0,0|2,0,1]=4 172 B10R2.357 NC(=O)C1CC2CC2N1 HR142224 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.23 C=C1CC(C(=O)O)C1 HR113918 [0,0,0,0,1,0|2,0,0]=3 174 B8R1.23 CC1CC(C(=O)O)C1 HR111453 [0,0,0,0,1,0|2,0,1]=4 175 B8R1.23 CN1CC(C(=O)O)C1 HR148501 [0,0,0,0,1,0|3,0,0]=4 176 B8R1.23 NC1CC(C(=O)O)C1 HR109482 [0,0,0,0,1,0|2,0,1]=4 177 B8R1.23 NC1CC(C(=O)O)C1 HR146903 [0,0,0,0,1,0|2,0,1]=4 178 B8R1.23 O=C(O)C1CC(F)C1 HR107590 [0,0,0,0,1,0|2,0,1]=4 179 B8R1.23 O=C(O)C1CC(O)C1 HR139037 [0,0,0,0,1,0|1,0,2]=4 180 B8R1.23 O=C(O)C1CC(O)C1 HR148529 [0,0,0,0,1,0|1,0,2]=4 181 B8R1.23 O=C1CC(C(=O)O)C1 HR14220 [0,0,0,0,1,0|1,0,0]=2 182 B10R1.13 CC(=O)C1CC=C(C)CC1 HR148656 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.13 CC(=O)N1CCC(=O)CC1 HR107851 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.13 CC1CCC(C(=O)O)CC1 HR107029 [0,0,0,0,0,1|2,0,1]=4 185 B10R1.13 CC1CCC(C(=O)O)CC1 HR130857 [0,0,0,0,0,1|2,0,1]=4 186 B10R1.13 CN1CCC(C(=O)O)CC1 HR7222 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.13 NC1CCC(C(=O)O)CC1 HR110435 [0,0,0,0,0,1|2,0,1]=4 188 B10R1.13 NC1CCC(C(=O)O)CC1 HR112676 [0,0,0,0,0,1|2,0,1]=4 189 B10R1.13 NC1CCC(C(=O)O)CC1 HR141142 [0,0,0,0,0,1|2,0,1]=4 190 B10R1.13 NC1CCC(C(=O)O)CC1 HR141339 [0,0,0,0,0,1|2,0,1]=4 191 B10R1.13 O=C(O)C1CCC(O)CC1 HR111589 [0,0,0,0,0,1|1,0,2]=4 192 B10R1.13 O=C(O)C1CCC(O)CC1 HR138143 [0,0,0,0,0,1|1,0,2]=4 193 B10R1.13 O=C(O)C1CCC(O)CN1 HR149371 [0,0,0,0,0,1|0,0,2]=3 194 B10R1.13 O=C(O)C1CCC(O)CN1 HR149717 [0,0,0,0,0,1|0,0,2]=3 195 B10R1.13 O=C(O)C1CCC(O)CN1 REJL03213 [0,0,0,0,0,1|0,0,2]=3 196 B10R1.13 O=C1CCC(C(=O)O)CC1 HR109507 [0,0,0,0,0,1|1,0,0]=2 197 B10R1.13 O=C1CCC(C(=O)O)CN1 HR121983 [0,0,0,0,0,1|0,0,0]=1 198 B10R1.13 O=C1CCC(C(=O)O)NC1 HR150904 [0,0,0,0,0,1|0,0,0]=1 199 B10R1.54 O=C(O)CC1CCC(=O)C1 HR145769 [0,0,0,0,0,1|1,0,0]=2 200 B10R1.54 O=C(O)CC1CCC(=O)N1 HR145770 [0,0,0,0,0,1|0,0,0]=1 201 B10R1.54 O=C(O)CC1CCC(=O)N1 HR145771 [0,0,0,0,0,1|0,0,0]=1 202 B10R1.54 O=C(O)CC1CCC(=O)O1 HR145772 [0,0,0,0,0,1|1,0,0]=2 203 B10R1.54 O=C(O)CC1CCC(=O)O1 HR145773 [0,0,0,0,0,1|1,0,0]=2 204 B10R1.54 O=C(O)CC1CCC(=O)O1 HR145774 [0,0,0,0,0,1|1,0,0]=2 205 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 HR108388 [0,0,0,0,0,1|2,0,1]=4 206 B10R1.113 CC1CCCC(C(=O)O)N1 HR114833 [0,0,0,0,0,1|1,0,1]=3 207 B10R1.113 CC1CCNC(C(=O)O)C1 HR116329 [0,0,0,0,0,1|2,0,1]=4 208 B10R1.113 CN1CCNC(C(=O)O)C1 HR120573 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.113 NC1CCCC(C(=O)O)C1 HR104601 [0,0,0,0,0,1|2,0,1]=4 210 B10R1.113 NC1CCCC(C(=O)O)C1 HR112328 [0,0,0,0,0,1|2,0,1]=4 211 B10R1.113 NC1CCCC(C(=O)O)C1 HR145740 [0,0,0,0,0,1|2,0,1]=4 212 B10R1.113 NC1CCCC(C(=O)O)C1 HR145741 [0,0,0,0,0,1|2,0,1]=4 213 B10R1.113 NC1CCCC(C(=O)O)C1 HR145763 [0,0,0,0,0,1|2,0,1]=4 214 B10R1.113 NC1CCCC(C(=O)O)C1 HR145764 [0,0,0,0,0,1|2,0,1]=4 215 B10R1.113 NC1CCCC(C(=O)O)C1 HR145765 [0,0,0,0,0,1|2,0,1]=4 216 B10R1.113 O=C(O)C1CC(O)CCN1 HR149703 [0,0,0,0,0,1|1,0,2]=4 217 B10R1.113 O=C(O)C1CC(O)CCN1 HR149784 [0,0,0,0,0,1|1,0,2]=4 218 B10R1.113 O=C(O)C1CNCC(O)C1 HR102727 [0,0,0,0,0,1|1,0,2]=4 219 B10R1.113 O=C1C=CC=C(C(=O)O)N1 HR136905 [0,0,0,0,0,1|0,0,3]=4 220 B10R1.113 O=C1C=NC=C(C(=O)O)N1 HR101409 [0,0,0,0,0,1|0,0,3]=4 221 B10R1.113 O=C1CC(C(=O)O)CCN1 HR148708 [0,0,0,0,0,1|1,0,0]=2 222 B10R1.113 O=C1CCCC(C(=O)O)C1 HR112017 [0,0,0,0,0,1|1,0,0]=2 223 B10R1.113 O=C1CCCC(C(=O)O)N1 HR105564 [0,0,0,0,0,1|0,0,0]=1 224 B10R1.113 O=C1CCCC(C(=O)O)N1 HR121169 [0,0,0,0,0,1|0,0,0]=1 225 B10R1.113 O=C1CCCC(C(=O)O)N1 HR149427 [0,0,0,0,0,1|0,0,0]=1 226 B10R1.113 O=C1CCNC(C(=O)O)C1 HR114863 [0,0,0,0,0,1|1,0,0]=2 227 B10R1.113 O=C1CCNC(C(=O)O)C1 HR150929 [0,0,0,0,0,1|1,0,0]=2 228 B10R1.113 O=C1N=CC=C(C(=O)O)N1 HR33503 [0,0,0,0,0,1|0,0,3]=4 229 B7R0.3 COC(=O)CCC=O HR116651 [1,0,1,0,0,0|2,0,0]=4 230 B7R0.4 C#CCCCC(=O)O HR119998 [1,0,1,0,0,0|1,0,1]=4 231 B7R0.4 C=CCCCC(=O)O HR110118 [1,0,1,0,0,0|1,0,0]=3 232 B7R0.4 C=CCNCC(=O)O HR144457 [1,0,1,0,0,0|2,0,0]=4 233 B7R0.4 C=CCNCC(=O)O HR146187 [1,0,1,0,0,0|2,0,0]=4 234 B7R0.4 CC\C=C\CC(=O)O HR109903 [1,0,1,0,0,0|1,0,0]=3 235 B7R0.4 N#CCCCC(=O)O HR118843 [1,0,1,0,0,0|0,0,2]=4 236 B7R0.4 NCCCCC(=O)O HR127046 [1,0,1,0,0,0|0,0,1]=3 237 B7R0.4 NCCCCC(=O)O HR139651 [1,0,1,0,0,0|0,0,1]=3 238 B7R0.4 O=C(O)CCCCBr HR127598 [1,0,1,0,0,0|1,0,1]=4 239 B7R0.4 O=C(O)CCCCCl HR127871 [1,0,1,0,0,0|1,0,1]=4 240 B7R0.5 C#CCC(N)C(=O)O HR133685 [1,0,1,0,0,0|0,0,2]=4 241 B7R0.5 C#CCC(N)C(=O)O HR135675 [1,0,1,0,0,0|0,0,2]=4 242 B7R0.5 C#CCC(N)C(=O)O HR135939 [1,0,1,0,0,0|0,0,2]=4 243 B7R0.5 C=CCC(C)C(=O)O HR143156 [1,0,1,0,0,0|1,0,1]=4 244 B7R0.5 C=CCC(N)C(=O)O HR106860 [1,0,1,0,0,0|0,0,1]=3 245 B7R0.5 C=CCC(N)C(=O)O HR119232 [1,0,1,0,0,0|0,0,1]=3 246 B7R0.5 C=CCC(N)C(=O)O HR134381 [1,0,1,0,0,0|0,0,1]=3 247 B7R0.5 C=CCC(N)C(=O)O HR136466 [1,0,1,0,0,0|0,0,1]=3 248 B7R0.5 C=CCC(N)C(=O)O HR138518 [1,0,1,0,0,0|0,0,1]=3 249 B7R0.5 CCCC(Br)C(=O)O HR114924 [1,0,1,0,0,0|1,0,1]=4 250 B7R0.5 CCCC(C)C(=O)O HR131664 [1,0,1,0,0,0|1,0,1]=4 251 B7R0.5 CCCC(N)C(=O)O HR122649 [1,0,1,0,0,0|0,0,1]=3 252 B7R0.5 CCCC(N)C(=O)O HR136723 [1,0,1,0,0,0|0,0,1]=3 253 B7R0.5 CCCC(N)C(=O)O HR138486 [1,0,1,0,0,0|0,0,1]=3 254 B7R0.5 CNCC(N)C(=O)O HR146211 [1,0,1,0,0,0|1,0,1]=4 255 B7R0.5 COCC(N)C(=O)O HR108882 [1,0,1,0,0,0|1,0,1]=4 256 B7R0.5 COCC(N)C(=O)O HR109701 [1,0,1,0,0,0|1,0,1]=4 257 B7R0.5 COCC(N)C(=O)O HR110015 [1,0,1,0,0,0|1,0,1]=4 258 B7R0.5 COCC(N)C(=O)O HR115078 [1,0,1,0,0,0|1,0,1]=4 259 B7R0.5 COCC(N)C(=O)O HR115700 [1,0,1,0,0,0|1,0,1]=4 260 B7R0.5 CSCC(N)C(=O)O HR134174 [1,0,1,0,0,0|1,0,1]=4 261 B7R0.5 NC(CCBr)C(=O)O HR102483 [1,0,1,0,0,0|1,0,0]=3 262 B7R0.5 NC(CCO)C(=O)O HR122160 [1,0,1,0,0,0|0,0,1]=3 263 B7R0.5 NC(CCO)C(=O)O HR127129 [1,0,1,0,0,0|0,0,1]=3 264 B7R0.5 NC(CCO)C(=O)O HR129910 [1,0,1,0,0,0|0,0,1]=3 265 B7R0.5 NC(CCS)C(=O)O HR100636 [1,0,1,0,0,0|0,1,0]=3 266 B7R0.5 NC(CCS)C(=O)O HR137923 [1,0,1,0,0,0|0,1,0]=3 267 B7R0.5 NCCC(N)C(=O)O HR112825 [1,0,1,0,0,0|1,0,0]=3 268 B7R0.5 NCCC(N)C(=O)O HR14752 [1,0,1,0,0,0|1,0,0]=3 269 B7R0.5 O=C(O)C(Br)CCBr HR138979 [1,0,1,0,0,0|2,0,0]=4 270 B7R0.6 CC(=O)CCC(=O)O HR127576 [1,0,1,0,0,0|1,0,0]=3 271 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [1,0,1,0,0,0|1,0,1]=4 272 B7R0.6 CC(=O)CCC(C)=O HR125376 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.6 CC(=O)CNC(C)=O HR146276 [1,0,1,0,0,0|1,0,0]=3 274 B7R0.6 CC(=O)COC(C)=O HR123551 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.6 CC(=O)NCC(=O)O HR138579 [1,0,1,0,0,0|0,0,0]=2 276 B7R0.6 CC(=O)NNC(C)=O HR131799 [1,0,1,0,0,0|2,0,0]=4 277 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [1,0,1,0,0,0|2,0,0]=4 278 B7R0.6 CC(=O)OCC(=O)O HR120464 [1,0,1,0,0,0|1,0,0]=3 279 B7R0.6 CC(C)=CCC(=O)O HR108591 [1,0,1,0,0,0|2,0,0]=4 280 B7R0.6 N=C(N)NCC(=O)O HR123411 [1,0,1,0,0,0|2,0,0]=4 281 B7R0.6 O=C(O)CCC(=O)O HR128111 [1,0,1,0,0,0|2,0,0]=4 282 B7R0.6 O=C(O)CCC(=O)O HR135208 [1,0,1,0,0,0|2,0,0]=4 283 B7R0.15 CCC(CC)C(=O)O HR140709 [1,0,1,0,0,0|1,0,1]=4 284 B7R0.15 CNC(CO)C(=O)O HR112824 [1,0,1,0,0,0|1,0,1]=4 285 B7R0.15 CNC(CS)C(=O)O HR116844 [1,0,1,0,0,0|1,0,1]=4 286 B7R1.1 O=CC1CCCC1 HR129057 [2,0,0,0,0,0|1,0,1]=4 287 B7R1.1 O=CC1CCCO1 HR106351 [2,0,0,0,0,0|1,0,1]=4 288 B7R1.1 O=CC1CCOC1 HR111279 [2,0,0,0,0,0|2,0,0]=4 289 B7R1.1 OCC1CCCN1 HR103019 [2,0,0,0,0,0|0,0,2]=4 290 B7R1.1 OCC1CCCN1 HR127601 [2,0,0,0,0,0|0,0,2]=4 291 B7R1.1 OCC1CCCN1 HR137906 [2,0,0,0,0,0|0,0,2]=4 292 B7R1.2 CC1CCC(=O)O1 HR126256 [2,0,0,0,0,0|1,0,1]=4 293 B7R1.2 NC1CCC(=O)C1 HR145995 [2,0,0,0,0,0|2,0,0]=4 294 B7R1.2 O=C1CC(O)CN1 HR138458 [2,0,0,0,0,0|2,0,0]=4 295 B7R1.2 O=C1CC(O)CN1 HR138722 [2,0,0,0,0,0|2,0,0]=4 296 B7R1.2 O=C1CC(O)CN1 HR145864 [2,0,0,0,0,0|2,0,0]=4 297 B7R1.2 O=C1CC(O)CO1 HR126625 [2,0,0,0,0,0|2,0,0]=4 298 B7R1.2 O=C1CC(O)CO1 HR127054 [2,0,0,0,0,0|2,0,0]=4 299 B7R1.2 O=C1CCC(=O)C1 HR130125 [2,0,0,0,0,0|1,0,1]=4 300 B7R1.2 O=C1CCC(=O)N1 HR135734 [2,0,0,0,0,0|0,0,1]=3 301 B7R1.2 O=C1CCC(=O)O1 HR135468 [2,0,0,0,0,0|1,0,1]=4 302 B7R1.2 O=C1CNC(=O)N1 HR128930 [2,0,0,0,0,0|1,0,1]=4 303 B7R1.2 O=C1COC(=O)N1 HR103401 [2,0,0,0,0,0|1,0,1]=4 304 B7R1.2 O=C1CSC(=O)N1 HR137564 [2,0,0,0,0,0|1,0,1]=4 305 B9R0.7 CC(=O)OCC(N)C(=O)O HR139137 [0,1,1,0,0,0|1,0,0]=3 306 B9R0.7 CC(=O)SCC(C)C(=O)O HR133969 [0,1,1,0,0,0|2,0,0]=4 307 B9R0.7 CC(=O)SCC(C)C(=O)O HR145506 [0,1,1,0,0,0|2,0,0]=4 308 B9R0.7 CC(C)CCC(N)C(=O)O HR144426 [0,1,1,0,0,0|1,0,1]=4 309 B9R0.7 CC(CCC(=O)O)C(=O)O HR145824 [0,1,1,0,0,0|1,0,0]=3 310 B9R0.7 CC(CCC(=O)O)C(=O)O HR145825 [0,1,1,0,0,0|1,0,0]=3 311 B9R0.7 CC(CCC(=O)O)C(=O)O HR145826 [0,1,1,0,0,0|1,0,0]=3 312 B9R0.7 CS(=O)CCC(N)C(=O)O HR111901 [0,1,1,0,0,0|1,0,0]=3 313 B9R0.7 CS(=O)CCC(N)C(=O)O HR140530 [0,1,1,0,0,0|1,0,0]=3 314 B9R0.7 C[S+](C)CCC(N)C(=O)O HR141889 [0,1,1,0,0,0|2,0,0]=4 315 B9R0.7 N=C(N)NCC(N)C(=O)O HR115731 [0,1,1,0,0,0|2,0,0]=4 316 B9R0.7 NC(=O)CCC(N)C(=O)O HR120771 [0,1,1,0,0,0|0,0,0]=2 317 B9R0.7 NC(=O)CCC(N)C(=O)O HR124237 [0,1,1,0,0,0|0,0,0]=2 318 B9R0.7 NC(=O)CCC(N)C(=O)O HR131835 [0,1,1,0,0,0|0,0,0]=2 319 B9R0.7 NC(=O)CCC(N)C(=O)O HR133670 [0,1,1,0,0,0|0,0,0]=2 320 B9R0.7 NC(CCC(=O)O)B(O)O HR32502 [0,1,1,0,0,0|1,0,1]=4 321 B9R0.7 NC(CCC(=O)O)B(O)O HR32503 [0,1,1,0,0,0|1,0,1]=4 322 B9R0.7 NC(CCC(=O)O)C(=O)O HR126593 [0,1,1,0,0,0|0,0,0]=2 323 B9R0.7 NC(CCC(=O)O)C(=O)O HR129986 [0,1,1,0,0,0|0,0,0]=2 324 B9R0.7 NC(CCC(=O)O)C(=O)O HR130515 [0,1,1,0,0,0|0,0,0]=2 325 B9R0.7 NC(CCC(=O)O)C(=O)O HR131250 [0,1,1,0,0,0|0,0,0]=2 326 B9R0.7 NC(CCC(=O)O)C(=O)O HR132775 [0,1,1,0,0,0|0,0,0]=2 327 B9R0.7 NC(CCC(=O)O)C(=O)O HR133402 [0,1,1,0,0,0|0,0,0]=2 328 B9R0.7 NC(CCC(=O)O)C(=O)O HR137048 [0,1,1,0,0,0|0,0,0]=2 329 B9R0.7 NC(CCC(=O)O)C(=O)[O-] HR129303 [0,1,1,0,0,0|0,0,1]=3 330 B9R0.7 NC(CCC(=O)O)C(=O)[O-] HR129994 [0,1,1,0,0,0|0,0,1]=3 331 B9R0.7 NC(CCC(=O)[O-])C(=O)[O-] HR117686 [0,1,1,0,0,0|0,0,1]=3 332 B9R0.7 NC(CCC(=O)[O-])C(=O)[O-] HR145556 [0,1,1,0,0,0|0,0,1]=3 333 B9R0.7 NC(CCC(=O)[O-])C(=O)[O-] HR145627 [0,1,1,0,0,0|0,0,1]=3 334 B9R0.7 O=C(O)CCC(=O)C(=O)O HR128966 [0,1,1,0,0,0|1,0,1]=4 335 B9R0.7 O=C(O)CCC(=O)C(=O)O HR129232 [0,1,1,0,0,0|1,0,1]=4 336 B9R0.7 O=C(O)CCC(=O)C(=O)O HR136888 [0,1,1,0,0,0|1,0,1]=4 337 B9R0.7 O=C(O)CCC(O)C(=O)O HR145130 [0,1,1,0,0,0|1,0,0]=3 338 B9R0.7 O=C([O-])CCC(=O)C(=O)O HR100275 [0,1,1,0,0,0|1,0,1]=4 339 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] HR107563 [0,1,1,0,0,0|1,0,1]=4 340 B9R0.8 COC(=O)C(N)CCCN HR136754 [0,1,1,0,0,0|1,0,1]=4 341 B9R0.8 COC(=O)C(N)CCSC HR131630 [0,1,1,0,0,0|2,0,0]=4 342 B9R0.8 COC(=O)C(N)CCSC HR144422 [0,1,1,0,0,0|2,0,0]=4 343 B9R0.8 CSCCC(N)C(=O)O[Zn+] HR127786 [0,1,1,0,0,0|2,0,0]=4 344 B9R0.47 C#CCSCC(N)C(=O)O HR148839 [0,1,1,0,0,0|1,0,1]=4 345 B9R0.47 C=CCCCC(N)C(=O)O HR107176 [0,1,1,0,0,0|1,0,0]=3 346 B9R0.47 C=CCSCC(N)C(=O)O HR115893 [0,1,1,0,0,0|1,0,0]=3 347 B9R0.47 CCSCCC(N)C(=O)O HR126680 [0,1,1,0,0,0|1,0,1]=4 348 B9R0.47 CCSCCC(N)C(=O)O HR141385 [0,1,1,0,0,0|1,0,1]=4 349 B9R0.47 NC(CSCCO)C(=O)O HR140495 [0,1,1,0,0,0|0,0,2]=4 350 B9R0.47 NC(CSCCO)C(=O)O HR143002 [0,1,1,0,0,0|0,0,2]=4 351 B9R0.47 NCCCCC(N)C(=O)O HR101720 [0,1,1,0,0,0|1,0,1]=4 352 B9R0.47 NCCCCC(N)C(=O)O HR116209 [0,1,1,0,0,0|1,0,1]=4 353 B9R0.47 NCCCCC(N)C(=O)O HR123265 [0,1,1,0,0,0|1,0,1]=4 354 B9R0.47 NCCCCC(N)C(=O)O HR123541 [0,1,1,0,0,0|1,0,1]=4 355 B9R0.47 NCCCCC(N)C(=O)O HR126863 [0,1,1,0,0,0|1,0,1]=4 356 B9R0.47 NCCCCC(N)C(=O)O HR127945 [0,1,1,0,0,0|1,0,1]=4 357 B9R0.47 NCCCCC(N)C(=O)O HR129957 [0,1,1,0,0,0|1,0,1]=4 358 B9R0.47 NCCCCC(N)C(=O)O HR132817 [0,1,1,0,0,0|1,0,1]=4 359 B9R0.47 NCCCCC(N)C(=O)O HR133918 [0,1,1,0,0,0|1,0,1]=4 360 B9R0.47 NCCCCC(N)C(=O)O HR138275 [0,1,1,0,0,0|1,0,1]=4 361 B9R0.47 NCCCCC(N)C(=O)O HR138539 [0,1,1,0,0,0|1,0,1]=4 362 B9R0.47 NCCCCC(N)C(=O)O HR143917 [0,1,1,0,0,0|1,0,1]=4 363 B9R0.47 NCCCCC(N)C(=O)O HR7967 [0,1,1,0,0,0|1,0,1]=4 364 B9R0.23 COC(=O)C(N)CC(=O)O HR102461 [0,1,1,0,0,0|2,0,0]=4 365 B9R0.23 COC(=O)C(N)CC(=O)O HR129643 [0,1,1,0,0,0|2,0,0]=4 366 B9R0.23 COC(=O)C(N)CC(=O)O HR144063 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.24 CCC(=O)CCC(=O)CC HR111827 [0,1,1,0,0,0|2,0,0]=4 368 B9R0.24 COC(=O)CCC(=O)CN HR139036 [0,1,1,0,0,0|2,0,0]=4 369 B9R0.24 COC(=O)CCC(=O)CN HR139382 [0,1,1,0,0,0|2,0,0]=4 370 B9R0.24 COC(=O)CCC(=O)OC HR133663 [0,1,1,0,0,0|2,0,0]=4 371 B9R0.48 CCNC(=O)\C=C\C(=O)O HR104340 [0,1,1,0,0,0|1,0,1]=4 372 B9R0.48 CCOC(=O)CCC(=O)Cl HR129703 [0,1,1,0,0,0|2,0,0]=4 373 B9R0.48 CCOC(=O)CCC(=O)[O-] HR131805 [0,1,1,0,0,0|1,0,1]=4 374 B9R0.48 CCOC(=O)CCC(C)=O HR131025 [0,1,1,0,0,0|2,0,0]=4 375 B9R0.33 CC(C)C(NC=O)C(=O)O HR118254 [0,1,1,0,0,0|0,0,0]=2 376 B9R0.33 CCNC(C(=O)O)C(C)C HR145030 [0,1,1,0,0,0|1,0,1]=4 377 B9R0.39 CC(=O)NC(CO)C(=O)O HR143966 [0,1,1,0,0,0|1,0,0]=3 378 B9R0.39 CC(=O)NC(CS)C(=O)O HR137549 [0,1,1,0,0,0|1,0,0]=3 379 B9R0.39 CCC(CC(=O)O)C(=O)O HR109137 [0,1,1,0,0,0|1,0,0]=3 380 B9R0.39 CNC(CC(=O)O)C(=O)O HR135615 [0,1,1,0,0,0|2,0,0]=4 381 B9R0.39 CNC(CC(=O)O)C(=O)O HR139312 [0,1,1,0,0,0|2,0,0]=4 382 B9R0.11 CC(=O)OC(C)(C)C(=O)Br HR130172 [0,1,1,0,0,0|2,0,0]=4 383 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl HR130441 [0,1,1,0,0,0|2,0,0]=4 384 B9R0.11 CC(C)(CC(=O)O)C(=O)O HR131080 [0,1,1,0,0,0|2,0,0]=4 385 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR139226 [0,1,1,0,0,0|2,0,0]=4 386 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR144261 [0,1,1,0,0,0|2,0,0]=4 387 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR144355 [0,1,1,0,0,0|2,0,0]=4 388 B9R0.11 CC(O)(CC(=O)O)C(=O)O HR101544 [0,1,1,0,0,0|2,0,0]=4 389 B9R0.79 CC(C(=O)O)C(N)C(=O)O HR10166 [0,1,1,0,0,0|2,0,0]=4 390 B9R0.1 C=CC(=O)OCCC(=O)O HR110151 [0,1,1,0,0,0|2,0,0]=4 391 B9R0.1 COC(=O)CCCC(=O)Cl HR123243 [0,1,1,0,0,0|1,0,0]=3 392 B9R0.1 COC(=O)CCCC(=O)O HR129096 [0,1,1,0,0,0|1,0,0]=3 393 B9R0.53 CC(CC(=O)O)CC(=O)O HR135338 [0,1,1,0,0,0|1,0,0]=3 394 B9R0.53 CN(CC(=O)O)CC(=O)O HR110495 [0,1,1,0,0,0|2,0,0]=4 395 B9R0.53 O=C(O)CC(=O)CC(=O)O HR132354 [0,1,1,0,0,0|1,0,1]=4 396 B9R0.56 NS(=O)(=O)CCCC(=O)O HR113620 [0,1,1,0,0,0|1,0,0]=3 397 B9R1.132 CN1C(=O)CCC1CO HR149021 [1,1,0,0,0,0|0,0,1]=3 398 B9R1.11 COC(=O)C1CC=CC1 HR136788 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.11 COC(=O)C1CCCC1 HR103520 [1,1,0,0,0,0|1,0,1]=4 400 B9R1.11 COC(=O)C1CCCN1 HR133852 [1,1,0,0,0,0|0,0,1]=3 401 B9R1.11 COC(=O)C1CCCN1 RASA04102 [1,1,0,0,0,0|0,0,1]=3 402 B9R1.11 COC(=O)C1CCCO1 HR126735 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.11 COC(=O)C1CCC[NH2+]1 HR132161 [1,1,0,0,0,0|0,0,2]=4 404 B9R1.11 COC(=O)C1CCNC1 HR103128 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.11 COC(=O)C1CCNC1 HR105013 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.11 COC(=O)C1CCNC1 HR110217 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.41 CC1CCNC1C(=O)O HR139699 [1,1,0,0,0,0|0,0,1]=3 408 B9R1.41 CN1CCCC1C(=O)O HR102016 [1,1,0,0,0,0|0,0,1]=3 409 B9R1.41 CN1CCCC1C(=O)O HR139408 [1,1,0,0,0,0|0,0,1]=3 410 B9R1.41 CN1CCCC1C(=O)O HR139601 [1,1,0,0,0,0|0,0,1]=3 411 B9R1.41 CN1CCCC1C(=O)O HR147686 [1,1,0,0,0,0|0,0,1]=3 412 B9R1.41 NC1CCCC1C(=O)O HR11111 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.41 NC1CCCC1C(=O)O HR112426 [1,1,0,0,0,0|1,0,1]=4 414 B9R1.41 NC1CCCC1C(=O)O HR112742 [1,1,0,0,0,0|1,0,1]=4 415 B9R1.41 NC1CCCC1C(=O)O HR113061 [1,1,0,0,0,0|1,0,1]=4 416 B9R1.41 NC1CCCC1C(=O)O HR117553 [1,1,0,0,0,0|1,0,1]=4 417 B9R1.41 O=C(O)C1CCCC1=O HR109477 [1,1,0,0,0,0|1,0,1]=4 418 B9R1.41 O=C(O)C1NCCC1O HR100963 [1,1,0,0,0,0|0,0,1]=3 419 B9R1.41 O=C(O)C1NCCC1O HR146202 [1,1,0,0,0,0|0,0,1]=3 420 B9R1.163 CC1(C(=O)O)CCCN1 HR103832 [1,1,0,0,0,0|0,0,1]=3 421 B9R1.163 CC1(C(=O)O)CCCN1 HR139507 [1,1,0,0,0,0|0,0,1]=3 422 B9R1.163 NC1(C(=O)O)CCCC1 IBCQ00406 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.163 NC1(C(=O)O)CCOC1 HR110693 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.163 NC1(C(=O)O)CCOC1 HR111011 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.163 NC1(C(=O)O)CCOC1 HR15117 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.163 O=C(O)C1(F)CCCC1 HR33973 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.82 COC(=O)C1CC(=O)C1 HR106954 [0,1,0,0,1,0|1,0,0]=3 428 B11R1.3 O=CN1CCC(C(=O)O)CC1 HR149364 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.22 COC(=O)C1CCC(=O)CC1 HR111067 [0,1,0,0,0,1|1,0,0]=3 430 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 HR145782 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.39 COC(=O)CC1CCC(=O)C1 HR111546 [0,1,0,0,0,1|1,0,0]=3 432 B11R1.23 COC(=O)C1CCCC(=O)N1 HR149762 [0,1,0,0,0,1|0,0,0]=2 433 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 HR140557 [0,1,0,0,0,1|1,0,0]=3 434 B11R1.74 O=C1CC(C(=O)O)NC(=O)N1 HR125467 [0,1,0,0,0,1|0,0,1]=3 435 B11R1.167 CC1COC(=O)NC1C(=O)O ROXF00405 [0,1,0,0,0,1|0,0,0]=2 436 B11R1.15 CCOC(=O)C1CCC(=O)C1 HR111695 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.15 CCOC(=O)C1CCC(=O)N1 HR117595 [0,2,0,0,0,0|0,0,0]=2 438 B11R1.15 CCOC(=O)C1CCC(=O)N1 HR129055 [0,2,0,0,0,0|0,0,0]=2 439 B11R1.15 CCOC(=O)N1CCC(=O)C1 HR118306 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.44 COC(=O)C1CCC(OC)=N1 VIJL03306 [0,2,0,0,0,0|0,0,2]=4 441 B11R1.865 COC(=O)C1CCC(=O)N1C HR149041 [0,2,0,0,0,0|0,0,0]=2 442 B11R1.865 COC(=O)C1CCC(=O)N1C HR149045 [0,2,0,0,0,0|0,0,0]=2 443 B11R1.865 COC(=O)C1CCC(=O)N1C HR149048 [0,2,0,0,0,0|0,0,0]=2 444 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 HR121805 [0,2,0,0,0,0|1,0,1]=4 445 B11R1.175 O=C(O)C1CCC(C(=O)O)N1 HR110978 [0,2,0,0,0,0|0,0,1]=3 446 B11R1.175 O=C(O)C1CCC(C(=O)O)N1 HR111300 [0,2,0,0,0,0|0,0,1]=3 447 B11R1.175 O=C(O)C1CCC(C(=O)O)N1 HR111609 [0,2,0,0,0,0|0,0,1]=3 448 B9R1.6 O=C(O)C1CC=CCC1 HR11032 [0,0,1,1,0,0|2,0,0]=4 449 B9R1.6 O=C(O)C1CC=CCC1 HR139596 [0,0,1,1,0,0|2,0,0]=4 450 B9R1.6 O=C(O)C1CC=CCC1 HR144350 [0,0,1,1,0,0|2,0,0]=4 451 B9R1.6 O=C(O)C1CC=CCN1 HR146186 [0,0,1,1,0,0|1,0,1]=4 452 B9R1.6 O=C(O)C1CCCCN1 HR116043 [0,0,1,1,0,0|1,0,1]=4 453 B9R1.6 O=C(O)C1CCCCN1 HR122879 [0,0,1,1,0,0|1,0,1]=4 454 B9R1.6 O=C(O)C1CCCCN1 HR132254 [0,0,1,1,0,0|1,0,1]=4 455 B9R1.6 O=C(O)C1CCCCN1 HR136021 [0,0,1,1,0,0|1,0,1]=4 456 B9R1.6 O=C(O)C1CCCCN1 HR136802 [0,0,1,1,0,0|1,0,1]=4 457 B9R1.6 O=C(O)C1CCCCN1 HR138030 [0,0,1,1,0,0|1,0,1]=4 458 B9R1.6 O=C(O)C1CCCCN1 HR145800 [0,0,1,1,0,0|1,0,1]=4 459 B9R1.6 O=C(O)C1CCCCN1 HR5567 [0,0,1,1,0,0|1,0,1]=4 460 B9R1.69 NC1CCC(=O)NC1=O HR101417 [0,0,1,1,0,0|1,0,0]=3 461 B9R1.69 NC1CCC(=O)NC1=O HR103258 [0,0,1,1,0,0|1,0,0]=3 462 B9R1.69 NC1CCC(=O)NC1=O HR139508 [0,0,1,1,0,0|1,0,0]=3 463 B9R1.93 C=CC1CC1(N)C(=O)O HR112397 [0,0,1,1,0,0|1,0,0]=3 464 B9R1.110 NC(C(=O)O)C1COC1 HR102481 [0,0,1,1,0,0|2,0,0]=4 465 B9R1.112 NC(CC1CC1)C(=O)O HR125932 [0,0,1,1,0,0|1,0,1]=4 466 B9R1.112 NC(CC1CC1)C(=O)O HR130432 [0,0,1,1,0,0|1,0,1]=4 467 B9R1.161 O=C(O)C1CC1C(=O)O HR101303 [0,0,1,1,0,0|2,0,0]=4 468 B9R1.161 O=C(O)C1CC1C(=O)O HR106060 [0,0,1,1,0,0|2,0,0]=4 469 B9R1.53 CC(=O)OC1CC(=O)N1 HR124739 [0,0,1,1,0,0|2,0,0]=4 470 B9R1.53 CC(=O)OC1CC(=O)N1 HR137214 [0,0,1,1,0,0|2,0,0]=4 471 B9R2.39 O=C1NC2C=CC1C2 HR110805 [1,0,0,1,0,0|1,0,0]=3 472 B9R2.39 O=C1NC2C=CC1C2 HR114658 [1,0,0,1,0,0|1,0,0]=3 473 B9R2.39 O=C1NC2C=CC1C2 HR124265 [1,0,0,1,0,0|1,0,0]=3 474 B11R2.139 O=C1NC2NC(=O)NC2N1 HR123466 [0,0,0,1,0,1|2,0,0]=4 475 B7R0.16 CC(=O)C(C)C(C)=O HR142176 [0,0,1,0,1,0|1,0,0]=3 476 B7R0.16 CC(=O)C(Cl)C(C)=O HR147348 [0,0,1,0,1,0|2,0,0]=4 477 B7R0.16 CC(C(=O)Cl)C(=O)Cl HR101155 [0,0,1,0,1,0|2,0,0]=4 478 B7R0.16 CC(C(N)=O)C(N)=O HR106837 [0,0,1,0,1,0|2,0,0]=4 479 B7R0.16 NC(C(=O)O)C(=O)O HR133757 [0,0,1,0,1,0|2,0,0]=4 480 B7R0.16 O=C(O)C(O)C(=O)O HR2066 [0,0,1,0,1,0|2,0,0]=4 481 B7R1.10 O=C1CC(CO)C1 HR103458 [1,0,0,0,1,0|1,0,1]=4 482 B7R1.18 CC(=O)C1CCC1 HR143826 [1,0,0,0,1,0|1,0,1]=4 483 B7R1.18 NC(=O)C1CCN1 HR115575 [1,0,0,0,1,0|1,0,0]=3 484 B7R1.18 O=C(Cl)C1CCC1 HR129809 [1,0,0,0,1,0|1,0,1]=4 485 B7R1.18 O=C(O)C1CCC1 HR136661 [1,0,0,0,1,0|0,0,1]=3 486 B7R1.18 O=C(O)C1CCN1 HR103406 [1,0,0,0,1,0|0,0,0]=2 487 B7R1.18 O=C(O)C1CCN1 HR106573 [1,0,0,0,1,0|0,0,0]=2 488 B7R1.18 O=C(O)C1CCN1 HR118789 [1,0,0,0,1,0|0,0,0]=2 489 B7R1.18 O=C(O)C1CCN1 HR127792 [1,0,0,0,1,0|0,0,0]=2 490 B7R1.18 O=C(O)C1CCN1 HR132187 [1,0,0,0,1,0|0,0,0]=2 491 B7R1.18 O=C(O)C1CCN1 HR138860 [1,0,0,0,1,0|0,0,0]=2 492 B7R1.18 O=C(O)C1CCO1 HR109624 [1,0,0,0,1,0|1,0,0]=3 493 B7R1.18 O=C(O)C1CNC1 SIJL01006 [1,0,0,0,1,0|1,0,1]=4 494 B7R1.18 O=C(O)C1COC1 HR111082 [1,0,0,0,1,0|1,0,1]=4 495 B9R0.55 CC(=O)CCCCC(=O)O HR100799 [0,0,1,0,0,1|1,0,0]=3 496 B9R0.55 CC(=O)NCCCC(=O)O HR115016 [0,0,1,0,0,1|1,0,0]=3 497 B9R0.55 NC(=O)NCCNC(N)=O HR101791 [0,0,1,0,0,1|2,0,0]=4 498 B9R0.55 O=C(O)CCCCC(=O)O HR127775 [0,0,1,0,0,1|1,0,0]=3 499 B9R0.55 O=C(O)CCCCC(=O)O HR137867 [0,0,1,0,0,1|1,0,0]=3 500 B9R0.55 O=C([O-])CCCCC(=O)[O-] HR101249 [0,0,1,0,0,1|1,0,1]=4 501 B9R0.55 O=C([O-])CCCCC(=O)[O-] HR123189 [0,0,1,0,0,1|1,0,1]=4 502 B9R1.2 CCC1CCCC(=O)N1 HR146355 [1,0,0,0,0,1|1,0,1]=4 503 B9R1.2 O=C1CCCC(CO)C1 HR121488 [1,0,0,0,0,1|1,0,1]=4 504 B9R1.2 O=C1CCCC(CO)N1 HR145838 [1,0,0,0,0,1|0,0,1]=3 505 B9R1.2 O=C1CCCC(CO)N1 HR145841 [1,0,0,0,0,1|0,0,1]=3 506 B9R1.2 O=C1CCCC(CO)N1 HR145844 [1,0,0,0,0,1|0,0,1]=3 507 B9R1.2 O=C1COCC(CO)N1 HR145834 [1,0,0,0,0,1|0,0,1]=3 508 B9R1.13 O=C(O)CC1CCCC1 HR140131 [1,0,0,0,0,1|1,0,1]=4 509 B9R1.13 O=C(O)CC1CCCN1 HR139892 [1,0,0,0,0,1|0,0,1]=3 510 B9R1.13 O=C(O)CC1CCCN1 HR145708 [1,0,0,0,0,1|0,0,1]=3 511 B9R1.13 O=C(O)CC1CCCO1 HR15380 [1,0,0,0,0,1|1,0,1]=4 512 B9R1.13 O=C(O)CC1CCNC1 HR105011 [1,0,0,0,0,1|2,0,0]=4 513 B9R1.13 O=C(O)CC1CCNC1 HR145803 [1,0,0,0,0,1|2,0,0]=4 514 B9R1.13 O=C(O)CC1CCNC1 HR145804 [1,0,0,0,0,1|2,0,0]=4 515 B9R1.13 O=C(O)CC1CCOC1 HR114277 [1,0,0,0,0,1|2,0,0]=4 516 B11R1.20 CC(=O)NC1CCC(=O)CC1 VOJL00908 [0,0,0,0,0,2|2,0,0]=4 517 B11R1.20 CC(=O)OC1CCC(=O)CC1 HR118407 [0,0,0,0,0,2|2,0,0]=4 518 B11R1.157 CC1CCCC(CC(=O)O)N1 HR149347 [0,0,0,0,0,2|1,0,1]=4 519 B11R1.497 O=C1CCCCC(C(=O)O)C1 HR145688 [0,0,0,0,0,2|1,0,0]=3