0 B7R0.16 CC(=O)C(=O)C(C)C HR141113 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.16 CC(=O)C(C)C(C)=O HR142176 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.16 CC(=O)C(Cl)C(C)=O HR147348 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.16 CC(Br)C(Br)C(=O)O HR127665 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.16 CC(C)C(=O)C(=O)O HR136485 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.16 CC(C)C(=O)C(=O)[O-] HR127707 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.16 CC(C)C(=O)C(=O)[O-] HR137721 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.16 CC(C)C(Br)C(=O)Br HR136438 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.16 CC(C)C(Br)C(=O)O HR115414 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.16 CC(C)C(Br)C(=O)O HR124122 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.16 CC(C)C(Br)C(=O)O HR137032 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.16 CC(C)C(Cl)C(=O)O HR103881 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.16 CC(C)C(F)C(=O)O HR116661 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.16 CC(C)C(N)B(O)O HR32489 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.16 CC(C)C(N)C(=O)O HR126445 [0,0,0,0,0,0|0,0,0]=0 15 B7R0.16 CC(C)C(N)C(=O)O HR130729 [0,0,0,0,0,0|0,0,0]=0 16 B7R0.16 CC(C)C(N)C(=O)O HR134362 [0,0,0,0,0,0|0,0,0]=0 17 B7R0.16 CC(C)C(N)C(=O)O HR141699 [0,0,0,0,0,0|0,0,0]=0 18 B7R0.16 CC(C)C(N)C(N)=O HR112915 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.16 CC(C)C(N)C(N)=O HR122778 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.16 CC(C)C(O)C(=O)O HR124143 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.16 CC(C)C(O)C(C)C HR135657 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.16 CC(O)C(N)C(=O)O HR126335 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.16 CC(O)C(N)C(=O)O HR128851 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.16 CC(O)C(N)C(=O)O HR129391 [0,0,0,0,0,0|1,0,0]=1 25 B7R0.16 CC(O)C(N)C(=O)O HR129491 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.16 CC(O)C(N)C(=O)O HR135216 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.16 CC(O)C(N)C(=O)O HR138779 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.16 CC(O)C(N)C(N)=O RASA04107 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.16 CN(C)C(=O)C(=O)O HR118982 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.16 CN(C)C(=O)C(N)=O HR128536 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.16 NC(=O)C(N)C(N)=O BRSA08323 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.16 NC(=O)C(N)C(N)=O HR148596 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.16 NC(C(=O)O)C(=O)O HR133757 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.16 O=C(O)C(O)C(=O)O HR2066 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.2 CC(=O)CC(=O)[O-] HR126081 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.2 CC(=O)CC(C)=O AVJB01201 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.2 CC(=O)CC(C)=O CUSA07105 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.2 CC(=O)CC(C)=O HR108604 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.2 CC(=O)CC(N)=O HR125580 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.2 CC(=O)NC(C)C ABSA04901 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.2 CC(=O)OC(C)Br HR115050 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.2 CC(C)=CC(=O)Cl HR129281 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.2 CC(C)=CC(=O)O HR21295 [1,0,0,0,0,0|0,0,2]=3 44 B6R0.2 CC(C)CB(O)O HR137992 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.2 CC(C)CC(=O)O HR123359 [1,0,0,0,0,0|0,0,0]=1 46 B6R0.2 CC(C)CC(C)N HR121969 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.2 CC(C)CC(N)=O HR109732 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.2 CC(C)OC(=S)[S-] HR128420 [1,0,0,0,0,0|1,2,0]=4 49 B6R0.2 CC(N)CC(=O)O HR103780 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.2 CC(N)CC(=O)O HR116211 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.2 CC(N)CC(=O)O HR120488 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.2 CC(N)CC(=O)O HR124863 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.2 CC(O)CC(=O)[O-] HR147106 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.2 CN(C)CC(=O)O HR127289 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.2 CN(C)CC(=O)[O-] HR134057 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.2 CN(C)CC(N)=S HR134511 [1,0,0,0,0,0|2,1,0]=4 57 B6R0.2 C[S+](C)CC(=O)[O-] HR107996 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.2 O=C(O)CC(=O)O DACQ01002 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.2 O=C(O)CC(=O)O HR144418 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.2 OC(=S)CC(F)F HR125326 [1,0,0,0,0,0|2,1,0]=4 61 B6R0.3 C=C(CC)C(=O)O HR118672 [1,0,0,0,0,0|1,0,1]=3 62 B6R0.3 C=CC(N)C(=O)O HR139947 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.3 C=CC(N)C(=O)O HR146204 [1,0,0,0,0,0|0,0,2]=3 64 B6R0.3 CC(C)C(N)CO HR108489 [1,0,0,0,0,0|0,0,1]=2 65 B6R0.3 CC(C)C(N)CO HR127327 [1,0,0,0,0,0|0,0,1]=2 66 B6R0.3 CC(C)C(N)CO HR146615 [1,0,0,0,0,0|0,0,1]=2 67 B6R0.3 CC(CN)C(=O)O HR133030 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.3 CC(O)C(N)CO HR137748 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.3 CC(O)C(N)CO HR138002 [1,0,0,0,0,0|1,0,1]=3 70 B6R0.3 CCC(=O)C(=O)O HR128819 [1,0,0,0,0,0|1,0,1]=3 71 B6R0.3 CCC(=O)C(C)=O HR131826 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.3 CCC(Br)C(=O)Cl HR115509 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.3 CCC(Br)C(=O)O HR123595 [1,0,0,0,0,0|1,0,0]=2 74 B6R0.3 CCC(C)C(=O)Cl HR144038 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.3 CCC(C)C(=O)O HR124401 [1,0,0,0,0,0|1,0,0]=2 76 B6R0.3 CCC(C)C(=O)O HR124666 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.3 CCC(C)C(N)=O HR115534 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.3 CCC(Cl)C(=O)O HR104193 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.3 CCC(Cl)C(=O)O HR104505 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.3 CCC(N)B(O)O HR32532 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.3 CCC(N)B(O)O HR32533 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.3 CCC(N)C(=O)O HR100731 [1,0,0,0,0,0|0,0,0]=1 83 B6R0.3 CCC(N)C(=O)O HR128531 [1,0,0,0,0,0|0,0,0]=1 84 B6R0.3 CCC(N)C(=O)O HR128797 [1,0,0,0,0,0|0,0,0]=1 85 B6R0.3 CCC(N)C(=O)O HR130831 [1,0,0,0,0,0|0,0,0]=1 86 B6R0.3 CCC(N)C(=O)O VOJL00901 [1,0,0,0,0,0|0,0,0]=1 87 B6R0.3 CCC(N)C(N)=O HR113889 [1,0,0,0,0,0|1,0,0]=2 88 B6R0.3 CCC(N)C(N)=O HR133280 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.3 CCC(O)C(=O)O HR145745 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.3 CCC(O)C(=O)O HR8265 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.3 CCC(S)C(C)=O HR124234 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.3 CCN(C)C(=O)Cl HR16066 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.3 CNC(C)C(=O)O HR126490 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.3 CNC(C)C(=O)O HR131233 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.3 CNC(C)C(=O)O HR138734 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.3 CNC(C)C(=O)[O-] HR145674 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.3 CSC(C)C(C)=O HR133684 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.3 C\C=C(/C)C(=O)O HR127692 [1,0,0,0,0,0|1,0,2]=4 99 B6R0.3 C\C=C(/C)C(=O)O HR140908 [1,0,0,0,0,0|1,0,2]=4 100 B6R0.3 NC(=O)C(Br)CBr HR125555 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.3 NC(=O)C(N)CO HR115072 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.3 NC(CO)C(=O)O HR10704 [1,0,0,0,0,0|1,0,0]=2 103 B6R0.3 NC(CO)C(=O)O HR11003 [1,0,0,0,0,0|1,0,0]=2 104 B6R0.3 NC(CO)C(=O)O HR136009 [1,0,0,0,0,0|1,0,0]=2 105 B6R0.3 NC(CS)C(=O)O HR125082 [1,0,0,0,0,0|1,0,0]=2 106 B6R0.3 NC(CS)C(=O)O HR125295 [1,0,0,0,0,0|1,0,0]=2 107 B6R0.3 NC(CS)C(=O)O HR125344 [1,0,0,0,0,0|1,0,0]=2 108 B6R0.3 NC(CS)C(=O)O HR129167 [1,0,0,0,0,0|1,0,0]=2 109 B6R0.3 NC(CS)C(=O)O HR129315 [1,0,0,0,0,0|1,0,0]=2 110 B6R0.3 NC(CS)C(=O)O HR129684 [1,0,0,0,0,0|1,0,0]=2 111 B6R0.3 NC(CS)C(=O)O HR135781 [1,0,0,0,0,0|1,0,0]=2 112 B6R0.3 NC(CS)C(=O)O HR136316 [1,0,0,0,0,0|1,0,0]=2 113 B6R0.3 NC(C[SeH])C(=O)O HR101211 [1,0,0,0,0,0|1,0,0]=2 114 B6R0.3 NCC(N)C(=O)O HR101827 [1,0,0,0,0,0|1,0,0]=2 115 B6R0.3 NCC(N)C(=O)O HR120379 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.3 NCC(N)C(=O)O HR130162 [1,0,0,0,0,0|1,0,0]=2 117 B6R0.3 NCC(N)C(=O)O HR137268 [1,0,0,0,0,0|1,0,0]=2 118 B6R0.3 NCC(O)C(=O)O HR126827 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.3 NCC(O)C(=O)O HR145757 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.3 NCC(O)C(=O)O HR145758 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.3 O=C(Cl)C(Br)CBr HR128333 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.3 O=C(O)C(=O)CBr HR129820 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.3 O=C(O)C(Br)CBr HR128067 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.3 O=C(O)C(Br)CO HR121810 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.3 O=C(O)C(Cl)CCl HR102337 [1,0,0,0,0,0|2,0,0]=3 126 B8R0.2 CC(O)C(O)C(O)C=O HR125158 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.2 CCC(C)C(=O)C(=O)O HR136223 [0,1,0,0,0,0|1,0,1]=3 128 B8R0.2 CCC(C)C(=O)C(=O)[O-] HR105983 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.2 CCC(C)C(Cl)C(=O)O HR103573 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.2 CCC(C)C(N)C(=O)O HR122107 [0,1,0,0,0,0|0,0,0]=1 131 B8R0.2 CCC(C)C(N)C(=O)O HR126392 [0,1,0,0,0,0|0,0,0]=1 132 B8R0.2 CCC(C)C(N)C(=O)O HR126596 [0,1,0,0,0,0|0,0,0]=1 133 B8R0.2 CCC(C)C(N)C(=O)O HR129264 [0,1,0,0,0,0|0,0,0]=1 134 B8R0.2 CCC(C)C(N)C(=O)O HR134488 [0,1,0,0,0,0|0,0,0]=1 135 B8R0.2 CCC(C)C(N)C(N)=O HR114403 [0,1,0,0,0,0|1,0,0]=2 136 B8R0.2 COC(=O)C(=O)C(C)C HR104464 [0,1,0,0,0,0|1,0,1]=3 137 B8R0.2 COC(=O)C(Br)C(C)C HR135904 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.2 COC(=O)C(C)C(=O)O HR103977 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.2 COC(=O)C(Cl)C(C)=O HR139855 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.2 COC(=O)C(N)C(C)=O HR121027 [0,1,0,0,0,0|1,0,1]=3 141 B8R0.2 COC(=O)C(N)C(C)C HR127472 [0,1,0,0,0,0|0,0,0]=1 142 B8R0.2 COC(=O)C(N)C(C)C HR129213 [0,1,0,0,0,0|0,0,0]=1 143 B8R0.2 COC(=O)C(N)C(C)C HR146735 [0,1,0,0,0,0|0,0,0]=1 144 B8R0.2 COC(=O)C(N)C(C)O HR116385 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.2 COC(=O)C(N)C(C)O HR117464 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.2 COC(=O)C(N)C(C)O HR134650 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.2 COC(=O)C(N)C(C)O HR146545 [0,1,0,0,0,0|1,0,0]=2 148 B8R0.2 COC(=O)C(O)C(C)C HR115315 [0,1,0,0,0,0|1,0,0]=2 149 B8R0.2 COC(=O)C(O)C(C)C HR115628 [0,1,0,0,0,0|1,0,0]=2 150 B8R0.2 COC(C)C(N)C(=O)O HR109877 [0,1,0,0,0,0|0,0,0]=1 151 B8R0.2 COC(C)C(N)C(=O)O HR143103 [0,1,0,0,0,0|0,0,0]=1 152 B8R0.2 O=C(O)C(O)C(O)CO HR18483 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.2 O=C([O-])C(O)C(O)CO HR106059 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.2 O=C([O-])C(O)C(O)CO HR124090 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.18 CC(C)C(CN)C(=O)O HR100533 [0,1,0,0,0,0|0,0,0]=1 156 B8R0.18 CNC(C(=O)O)C(C)C HR116560 [0,1,0,0,0,0|0,0,0]=1 157 B8R0.18 CNC(C(=O)O)C(C)O HR116881 [0,1,0,0,0,0|1,0,0]=2 158 B8R0.27 CC(C)(C)C(=O)C(=O)O HR138192 [0,1,0,0,0,0|1,0,1]=3 159 B8R0.27 CC(C)(C)C(N)C(=O)O HR122176 [0,1,0,0,0,0|0,0,0]=1 160 B8R0.27 CC(C)(C)C(N)C(=O)O HR122428 [0,1,0,0,0,0|0,0,0]=1 161 B8R0.27 CC(C)(C)C(N)C(=O)O HR128603 [0,1,0,0,0,0|0,0,0]=1 162 B8R0.27 CC(C)(C)C(N)C(=O)O HR142898 [0,1,0,0,0,0|0,0,0]=1 163 B8R0.27 CC(C)(C)C(N)C(N)=O HR113541 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.27 CC(C)(F)C(N)C(=O)O HR145132 [0,1,0,0,0,0|0,0,0]=1 165 B8R0.27 CC(C)(O)C(N)C(=O)O HR118044 [0,1,0,0,0,0|0,0,0]=1 166 B8R0.27 CC(C)(S)C(N)C(=O)O HR128482 [0,1,0,0,0,0|0,0,0]=1 167 B8R0.27 CC(C)C(N)C(F)(F)F HR105572 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.27 NC(C(=O)O)C(F)(F)F HR105480 [0,1,0,0,0,0|2,0,0]=3 169 B8R0.27 O=C(O)C(O)C(F)(F)F HR137038 [0,1,0,0,0,0|3,0,0]=4 170 B8R0.27 [2H]C([2H])([2H])C(N)C(=O)O HR142543 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.37 CC(C)C(C)(N)C(=O)O HR100972 [0,1,0,0,0,0|0,0,0]=1 172 B8R0.37 CC(C)C(C)(N)C(=O)O HR142699 [0,1,0,0,0,0|0,0,0]=1 173 B8R0.37 CC(C)C(C)(N)C(=O)O HR142798 [0,1,0,0,0,0|0,0,0]=1 174 B8R0.37 CC(C)C(C)(N)C(N)=O HR146757 [0,1,0,0,0,0|1,0,0]=2 175 B8R0.37 [2H]C(N)(C(=O)O)C(C)C HR139038 [0,1,0,0,0,0|0,0,0]=1 176 B8R1.50 CC1CCC(=O)C1=O HR129446 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.50 CC1CCC(=O)N1C HR142184 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.50 O=C1OCC(O)C1O HR120212 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.54 NC(C(=O)O)C1CC1 HR125656 [0,0,0,1,0,0|0,0,0]=1 180 B8R1.54 NC(C(=O)O)C1CC1 HR126714 [0,0,0,1,0,0|0,0,0]=1 181 B8R1.77 CC1(C)CC1C(=O)O HR125256 [0,0,0,1,0,0|1,0,0]=2 182 B8R1.77 CC1(C)CC1C(=O)O HR138282 [0,0,0,1,0,0|1,0,0]=2 183 B8R1.77 CC1(C)CC1C(N)=O HR124986 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.77 O=C(O)C1CC1(F)F HR110979 [0,0,0,1,0,0|3,0,0]=4 185 B8R0.23 C=C(CC(C)C)C(C)=O HR119288 [0,0,0,0,0,1|2,0,1]=4 186 B8R0.23 CC(=O)NC(C)C(=O)O HR123754 [0,0,0,0,0,1|2,0,1]=4 187 B8R0.23 CC(=O)NC(C)C(=O)O HR130455 [0,0,0,0,0,1|2,0,1]=4 188 B8R0.23 CC(=O)NC(C)C(=O)O HR139475 [0,0,0,0,0,1|2,0,1]=4 189 B8R0.23 CC(=O)OC(C)C(=O)O HR114068 [0,0,0,0,0,1|2,0,1]=4 190 B8R0.23 CC(=O)OC(C)C(=O)O HR117573 [0,0,0,0,0,1|2,0,1]=4 191 B8R0.23 CC(C)C(N)CC(=O)O HR115576 [0,0,0,0,0,1|0,0,0]=1 192 B8R0.23 CC(C)C(N)CC(=O)O HR119755 [0,0,0,0,0,1|0,0,0]=1 193 B8R0.23 CC(C)CC(=O)C(=O)O HR122104 [0,0,0,0,0,1|1,0,1]=3 194 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR105375 [0,0,0,0,0,1|1,0,2]=4 195 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR138461 [0,0,0,0,0,1|1,0,2]=4 196 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR138724 [0,0,0,0,0,1|1,0,2]=4 197 B8R0.23 CC(C)CC(Br)C(=O)O HR148644 [0,0,0,0,0,1|1,0,0]=2 198 B8R0.23 CC(C)CC(Cl)C(=O)O HR103256 [0,0,0,0,0,1|1,0,0]=2 199 B8R0.23 CC(C)CC(N)B(O)O HR32490 [0,0,0,0,0,1|1,0,1]=3 200 B8R0.23 CC(C)CC(N)B(O)O HR32534 [0,0,0,0,0,1|1,0,1]=3 201 B8R0.23 CC(C)CC(N)B(O)O HR32540 [0,0,0,0,0,1|1,0,1]=3 202 B8R0.23 CC(C)CC(N)B(O)O HR32541 [0,0,0,0,0,1|1,0,1]=3 203 B8R0.23 CC(C)CC(N)C(=O)O HR120455 [0,0,0,0,0,1|0,0,0]=1 204 B8R0.23 CC(C)CC(N)C(=O)O HR133560 [0,0,0,0,0,1|0,0,0]=1 205 B8R0.23 CC(C)CC(N)C(=O)O HR134259 [0,0,0,0,0,1|0,0,0]=1 206 B8R0.23 CC(C)CC(N)C(=O)O TYJB00201 [0,0,0,0,0,1|0,0,0]=1 207 B8R0.23 CC(C)CC(N)C(N)=O HR116634 [0,0,0,0,0,1|1,0,0]=2 208 B8R0.23 CC(C)CC(O)C(=O)O HR104232 [0,0,0,0,0,1|1,0,0]=2 209 B8R0.23 CC(C)CC(O)C(=O)O HR121662 [0,0,0,0,0,1|1,0,0]=2 210 B8R0.23 CC(O)C(N)CC(=O)O HR146732 [0,0,0,0,0,1|1,0,0]=2 211 B8R0.23 CS(=O)CC(N)C(=O)O HR134447 [0,0,0,0,0,1|2,0,0]=3 212 B8R0.23 NC(=O)C(N)CC(=O)O HR124658 [0,0,0,0,0,1|2,0,1]=4 213 B8R0.23 NC(=O)CC(N)C(=O)O HR128740 [0,0,0,0,0,1|2,0,1]=4 214 B8R0.23 NC(=O)CC(N)C(=O)O HR129004 [0,0,0,0,0,1|2,0,1]=4 215 B8R0.23 NC(=O)CC(N)C(=O)O HR129935 [0,0,0,0,0,1|2,0,1]=4 216 B8R0.23 NC(=O)CC(N)C(=O)O HR133228 [0,0,0,0,0,1|2,0,1]=4 217 B8R0.23 NC(=O)CC(N)C(=O)O HR133501 [0,0,0,0,0,1|2,0,1]=4 218 B8R0.23 NC(CC(=O)O)C(=O)O HR126814 [0,0,0,0,0,1|2,0,1]=4 219 B8R0.23 NC(CC(=O)O)C(=O)O HR135475 [0,0,0,0,0,1|2,0,1]=4 220 B8R0.23 NC(CC(=O)O)C(=O)O TECQ02802 [0,0,0,0,0,1|2,0,1]=4 221 B8R0.23 NC(CC(=O)[O-])C(=O)O HR125029 [0,0,0,0,0,1|2,0,1]=4 222 B5R0.1 C#CCC(=O)O HR107056 [2,0,0,0,0,0|0,0,2]=4 223 B5R0.1 C=CCC(=O)O HR124911 [2,0,0,0,0,0|0,0,2]=4 224 B5R0.1 C=CCC(C)O HR101482 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.1 C=CCC(C)O HR144395 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.1 C=CCN(C)C HR103500 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.1 C=CC[SiH](C)C HR121456 [2,0,0,0,0,0|1,1,0]=4 228 B5R0.1 C=COC(C)C HR122658 [2,0,0,0,0,0|2,0,0]=4 229 B5R0.1 CC#CC(=O)O HR16226 [2,0,0,0,0,0|0,0,2]=4 230 B5R0.1 CC(=O)CCCl HR106274 [2,0,0,0,0,0|2,0,0]=4 231 B5R0.1 CC(=O)CCO HR131203 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.1 CC(C)=CC=O HR138342 [2,0,0,0,0,0|0,0,2]=4 233 B5R0.1 CC(C)CCI HR3950 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.1 CC(C)C[Mg]Br HR119050 [2,0,0,0,0,0|2,0,0]=4 235 B5R0.1 CC(C)O[AlH3]=O HR145538 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.1 CC(N)CCO HR115385 [2,0,0,0,0,0|1,0,1]=4 237 B5R0.1 CC(N)CCO HR116440 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.1 CC(N)CCO HR148505 [2,0,0,0,0,0|1,0,1]=4 239 B5R0.1 CC(O)CCO HR109448 [2,0,0,0,0,0|1,0,1]=4 240 B5R0.1 CC(O)CCO HR135973 [2,0,0,0,0,0|1,0,1]=4 241 B5R0.1 CCCB(O)O HR138252 [2,0,0,0,0,0|1,0,1]=4 242 B5R0.1 CCCC(=N)N HR126811 [2,0,0,0,0,0|2,0,0]=4 243 B5R0.1 CCCC(=O)Cl HR147587 [2,0,0,0,0,0|1,0,0]=3 244 B5R0.1 CCCC(=O)[O-] HR129884 [2,0,0,0,0,0|0,0,1]=3 245 B5R0.1 CCCC(=O)[O-] HR137474 [2,0,0,0,0,0|0,0,1]=3 246 B5R0.1 CCCC(C)O HR136841 [2,0,0,0,0,0|1,0,1]=4 247 B5R0.1 CCCC(C)O HR137349 [2,0,0,0,0,0|1,0,1]=4 248 B5R0.1 CCCC(N)=O HR137715 [2,0,0,0,0,0|1,0,0]=3 249 B5R0.1 CCNC(C)=O HR100775 [2,0,0,0,0,0|2,0,0]=4 250 B5R0.1 CCNC(N)=O HR126748 [2,0,0,0,0,0|2,0,0]=4 251 B5R0.1 CCOC(=O)Cl IVSA07702 [2,0,0,0,0,0|2,0,0]=4 252 B5R0.1 CCOC(N)=O HR123919 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.1 CCSC(C)=O HR138399 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.1 CN(C)CCO HR147675 [2,0,0,0,0,0|1,0,1]=4 255 B5R0.1 CNCC(=O)O HR132326 [2,0,0,0,0,0|1,0,0]=3 256 B5R0.1 CNCC(=O)[O-] HR133335 [2,0,0,0,0,0|1,0,1]=4 257 B5R0.1 COCC(=O)Cl HR138385 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.1 COCC(=O)O HR137614 [2,0,0,0,0,0|1,0,0]=3 259 B5R0.1 COCC(C)=O HR124731 [2,0,0,0,0,0|2,0,0]=4 260 B5R0.1 CSCC(C)=O HR104929 [2,0,0,0,0,0|2,0,0]=4 261 B5R0.1 CSCC(N)=O HR105921 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.1 N#CCC(=O)O HR146964 [2,0,0,0,0,0|1,0,1]=4 263 B5R0.1 NC(=O)CCO HR101159 [2,0,0,0,0,0|2,0,0]=4 264 B5R0.1 NCCC(=O)O HR120135 [2,0,0,0,0,0|1,0,0]=3 265 B5R0.1 NCCC(=O)O HR136538 [2,0,0,0,0,0|1,0,0]=3 266 B5R0.1 NCCC(N)=O HR123050 [2,0,0,0,0,0|2,0,0]=4 267 B5R0.1 NOCC(=O)O HR107090 [2,0,0,0,0,0|2,0,0]=4 268 B5R0.1 O=C(Cl)CCBr HR132550 [2,0,0,0,0,0|2,0,0]=4 269 B5R0.1 O=C(Cl)CCCl HR125686 [2,0,0,0,0,0|2,0,0]=4 270 B5R0.1 O=C(O)CCBr HR146768 [2,0,0,0,0,0|1,0,0]=3 271 B5R0.1 O=C(O)CCI HR118002 [2,0,0,0,0,0|1,0,0]=3 272 B5R0.1 O=C(O)CCO HR12598 [2,0,0,0,0,0|1,0,0]=3 273 B5R0.1 O=C(O)CCS BACQ02107 [2,0,0,0,0,0|1,0,0]=3 274 B5R0.3 C=C(C=O)CC HR137788 [2,0,0,0,0,0|1,0,1]=4 275 B5R0.3 C=CC(N)CO HR146014 [2,0,0,0,0,0|2,0,0]=4 276 B5R0.3 C=CC(O)CC HR132478 [2,0,0,0,0,0|2,0,0]=4 277 B5R0.3 CCC(C)C=O HR108130 [2,0,0,0,0,0|1,0,0]=3 278 B5R0.3 CCC(C)CO HR133183 [2,0,0,0,0,0|1,0,1]=4 279 B5R0.3 CCC(N)CC HR124629 [2,0,0,0,0,0|1,0,1]=4 280 B5R0.3 CCC(N)CO AUSA03801 [2,0,0,0,0,0|0,0,1]=3 281 B5R0.3 CCC(N)CO HR129875 [2,0,0,0,0,0|0,0,1]=3 282 B5R0.3 CCC(N)CO HR145232 [2,0,0,0,0,0|0,0,1]=3 283 B5R0.3 CCC(O)CO HR101364 [2,0,0,0,0,0|1,0,1]=4 284 B5R0.3 CCC(O)CO HR108310 [2,0,0,0,0,0|1,0,1]=4 285 B5R0.3 CCC(O)CO HR112215 [2,0,0,0,0,0|1,0,1]=4 286 B5R0.3 NC(CO)CO HR136419 [2,0,0,0,0,0|1,0,1]=4 287 B5R0.3 NC(CO)CO HR136933 [2,0,0,0,0,0|1,0,1]=4 288 B5R0.3 O=CC(Br)CBr HR127791 [2,0,0,0,0,0|2,0,0]=4 289 B5R0.3 O=CC(O)CO HR110417 [2,0,0,0,0,0|2,0,0]=4 290 B5R0.3 O=CC(O)CO HR6339 [2,0,0,0,0,0|2,0,0]=4 291 B5R0.5 C=C(N)C(=O)O HR106545 [2,0,0,0,0,0|0,0,2]=4 292 B5R0.5 CC(=O)C(=O)O HR137803 [2,0,0,0,0,0|1,0,1]=4 293 B5R0.5 CC(=O)C(C)Br HR130439 [2,0,0,0,0,0|2,0,0]=4 294 B5R0.5 CC(=O)C(C)C HR147367 [2,0,0,0,0,0|1,0,1]=4 295 B5R0.5 CC(=O)C(C)Cl HR132014 [2,0,0,0,0,0|2,0,0]=4 296 B5R0.5 CC(=O)C(C)S HR123296 [2,0,0,0,0,0|2,0,0]=4 297 B5R0.5 CC(Br)C(=O)Cl HR136180 [2,0,0,0,0,0|2,0,0]=4 298 B5R0.5 CC(Br)C(=O)O HR118834 [2,0,0,0,0,0|1,0,0]=3 299 B5R0.5 CC(Br)C(=O)O HR119145 [2,0,0,0,0,0|1,0,0]=3 300 B5R0.5 CC(C)B(O)O HR125100 [2,0,0,0,0,0|2,0,0]=4 301 B5R0.5 CC(C)C(=N)N HR121738 [2,0,0,0,0,0|1,0,1]=4 302 B5R0.5 CC(C)C(=O)Cl DAJL01406 [2,0,0,0,0,0|1,0,1]=4 303 B5R0.5 CC(C)C(C)N HR121679 [2,0,0,0,0,0|0,0,1]=3 304 B5R0.5 CC(C)C(C)S HR123979 [2,0,0,0,0,0|1,0,1]=4 305 B5R0.5 CC(C)C(N)=O HR130010 [2,0,0,0,0,0|0,0,1]=3 306 B5R0.5 CC(C)C(N)=S HR103461 [2,0,0,0,0,0|0,1,1]=4 307 B5R0.5 CC(Cl)C(=O)Cl HR127551 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.5 CC(Cl)C(=O)O HR133703 [2,0,0,0,0,0|1,0,0]=3 309 B5R0.5 CC(Cl)C(=O)O HR5746 [2,0,0,0,0,0|1,0,0]=3 310 B5R0.5 CC(F)C(=O)O HR125319 [2,0,0,0,0,0|1,0,0]=3 311 B5R0.5 CC(N)B(O)O HR32488 [2,0,0,0,0,0|1,0,1]=4 312 B5R0.5 CC(N)B(O)O HR32531 [2,0,0,0,0,0|1,0,1]=4 313 B5R0.5 CC(N)B(O)O HR32539 [2,0,0,0,0,0|1,0,1]=4 314 B5R0.5 CC(N)C(=O)O HR127064 [2,0,0,0,0,0|0,0,0]=2 315 B5R0.5 CC(N)C(=O)O HR128842 [2,0,0,0,0,0|0,0,0]=2 316 B5R0.5 CC(N)C(=O)O HR135609 [2,0,0,0,0,0|0,0,0]=2 317 B5R0.5 CC(N)C(=O)O HR143449 [2,0,0,0,0,0|0,0,0]=2 318 B5R0.5 CC(N)C(C)O HR115270 [2,0,0,0,0,0|1,0,1]=4 319 B5R0.5 CC(N)C(N)=O HR121426 [2,0,0,0,0,0|1,0,0]=3 320 B5R0.5 CC(N)C(N)=O RAXM01501 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.5 CC(N)[13C](=O)O HR144974 [2,0,0,0,0,0|0,0,0]=2 322 B5R0.5 CC(O)C(=O)O HR122637 [2,0,0,0,0,0|1,0,0]=3 323 B5R0.5 CC(O)C(=O)O HR124397 [2,0,0,0,0,0|1,0,0]=3 324 B5R0.5 CC(O)C(=O)O HR137557 [2,0,0,0,0,0|1,0,0]=3 325 B5R0.5 CC(O)C(=O)[O-] HR101208 [2,0,0,0,0,0|1,0,1]=4 326 B5R0.5 CC(O)C(=O)[O-] HR124337 [2,0,0,0,0,0|1,0,1]=4 327 B5R0.5 CC(O)C(=O)[O-] HR125547 [2,0,0,0,0,0|1,0,1]=4 328 B5R0.5 CC(O)C(=O)[O-] HR126089 [2,0,0,0,0,0|1,0,1]=4 329 B5R0.5 CC(O)C(=O)[O-] HR127008 [2,0,0,0,0,0|1,0,1]=4 330 B5R0.5 CC(O)C(=O)[O-] HR127541 [2,0,0,0,0,0|1,0,1]=4 331 B5R0.5 CC(O)C(=O)[O-] HR127693 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.5 CC(O)C(=O)[O-] HR132263 [2,0,0,0,0,0|1,0,1]=4 333 B5R0.5 CC(O)C(C)O HR128860 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.5 CC(O)C(C)O HR129128 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.5 CC(O)C(C)O HR130175 [2,0,0,0,0,0|2,0,0]=4 336 B5R0.5 CC(O)C(N)=O HR103895 [2,0,0,0,0,0|1,0,1]=4 337 B5R0.5 CC(O)C(N)=O HR125386 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.5 CN(C)C(N)=O HR126485 [2,0,0,0,0,0|1,0,1]=4 339 B5R0.5 C[13CH](N)C(=O)O HR143521 [2,0,0,0,0,0|0,0,0]=2 340 B5R0.5 O=C(O)C(F)F HR125822 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.5 [13CH3]C(N)C(=O)O HR141384 [2,0,0,0,0,0|0,0,0]=2 342 B5R0.5 [13CH3]C(N)C(=O)O HR144202 [2,0,0,0,0,0|0,0,0]=2 343 B7R0.2 C=CC(=O)NC(C)C HR138308 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.2 CC(C)CC(N)CO HR123929 [1,1,0,0,0,0|1,0,1]=4 345 B7R0.2 CC(C)CC(N)CO HR30172 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.2 CC(C)NC(=O)CBr HR117083 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.2 CC(C)OC(=O)CN HR105079 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.2 CC(C)OC(=O)CN HR117760 [1,1,0,0,0,0|2,0,0]=4 349 B7R0.2 CC(C)OC(=O)CO HR105901 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.2 CCC(C)CC(=O)O HR11273 [1,1,0,0,0,0|0,0,0]=2 351 B7R0.2 CCC(C)CC(=O)O HR135865 [1,1,0,0,0,0|0,0,0]=2 352 B7R0.2 CCC(C)NC(N)=O HR114250 [1,1,0,0,0,0|2,0,0]=4 353 B7R0.2 CCC(C)OC(=O)[O-] HR144165 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.2 CCC(N)CC(=O)O HR114631 [1,1,0,0,0,0|1,0,0]=3 355 B7R0.2 CCC(N)CC(=O)O HR143295 [1,1,0,0,0,0|1,0,0]=3 356 B7R0.2 CCC(N)CC(=O)O HR147022 [1,1,0,0,0,0|1,0,0]=3 357 B7R0.2 COC(=O)C=C(C)C HR125078 [1,1,0,0,0,0|0,0,2]=4 358 B7R0.2 COC(=O)CC(C)=O TECQ03701 [1,1,0,0,0,0|1,0,1]=4 359 B7R0.2 COC(=O)CC(C)N HR119861 [1,1,0,0,0,0|1,0,0]=3 360 B7R0.2 COC(=O)CC(C)N HR143484 [1,1,0,0,0,0|1,0,0]=3 361 B7R0.2 COC(=O)CC(C)O HR138815 [1,1,0,0,0,0|1,0,0]=3 362 B7R0.2 CSC(=O)CC(C)C HR122226 [1,1,0,0,0,0|0,1,0]=3 363 B7R0.2 C\C(CC(C)C)=N/O HR128219 [1,1,0,0,0,0|1,0,0]=3 364 B7R0.2 NCC(O)CC(=O)O HR137304 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.2 NCC(O)CC(=O)[O-] HR128768 [1,1,0,0,0,0|1,0,1]=4 366 B7R0.9 C=C(C)CC(C)(C)C HR113816 [1,1,0,0,0,0|2,0,0]=4 367 B7R0.9 C=C(C)CC(C)(C)C HR145423 [1,1,0,0,0,0|2,0,0]=4 368 B7R0.9 CC(=O)CC(C)(C)S HR124484 [1,1,0,0,0,0|1,0,0]=3 369 B7R0.9 CC(=O)OC(C)(C)C HR147076 [1,1,0,0,0,0|2,0,0]=4 370 B7R0.9 CC(C)(C)CC(=O)Cl HR124713 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.9 CC(C)(C)CC(=O)O HR132975 [1,1,0,0,0,0|0,0,0]=2 372 B7R0.9 CC(C)(C)NC(N)=O HR126222 [1,1,0,0,0,0|2,0,0]=4 373 B7R0.9 CC(C)(C)OC(N)=O HR122401 [1,1,0,0,0,0|2,0,0]=4 374 B7R0.9 CC(C)(N)CC(=O)O HR107222 [1,1,0,0,0,0|0,0,0]=2 375 B7R0.9 CC(C)(N)CC(=O)O HR148652 [1,1,0,0,0,0|0,0,0]=2 376 B7R0.9 CC(C)(O)CC(=O)O HR136960 [1,1,0,0,0,0|0,0,0]=2 377 B7R0.9 CC(C)(O)CC(=O)[O-] HR140891 [1,1,0,0,0,0|0,0,1]=3 378 B7R0.9 CC(C)CS(=O)(=O)Cl HR120454 [1,1,0,0,0,0|1,0,1]=4 379 B7R0.9 CC(O)CC(C)(C)O HR128211 [1,1,0,0,0,0|1,0,1]=4 380 B7R0.9 C[N+](C)(C)CC(=O)O HR130542 [1,1,0,0,0,0|1,0,0]=3 381 B7R0.9 C[N+](C)(C)CC(=O)[O-] HR130963 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.9 C[Si](C)(C)CC(=O)O HR108462 [1,1,0,0,0,0|0,1,0]=3 383 B7R0.9 O=C(O)CC(F)(F)F HR137531 [1,1,0,0,0,0|2,0,0]=4 384 B7R0.5 C#CCC(N)C(=O)O HR133685 [1,1,0,0,0,0|0,0,1]=3 385 B7R0.5 C#CCC(N)C(=O)O HR135675 [1,1,0,0,0,0|0,0,1]=3 386 B7R0.5 C#CCC(N)C(=O)O HR135939 [1,1,0,0,0,0|0,0,1]=3 387 B7R0.5 C=CCC(C)C(=O)O HR143156 [1,1,0,0,0,0|1,0,1]=4 388 B7R0.5 C=CCC(N)C(=O)O HR106860 [1,1,0,0,0,0|0,0,1]=3 389 B7R0.5 C=CCC(N)C(=O)O HR119232 [1,1,0,0,0,0|0,0,1]=3 390 B7R0.5 C=CCC(N)C(=O)O HR134381 [1,1,0,0,0,0|0,0,1]=3 391 B7R0.5 C=CCC(N)C(=O)O HR136466 [1,1,0,0,0,0|0,0,1]=3 392 B7R0.5 C=CCC(N)C(=O)O HR138518 [1,1,0,0,0,0|0,0,1]=3 393 B7R0.5 CCCC(=O)C(=O)O HR138596 [1,1,0,0,0,0|1,0,1]=4 394 B7R0.5 CCCC(Br)C(=O)Cl HR140278 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.5 CCCC(Br)C(=O)O HR114924 [1,1,0,0,0,0|1,0,0]=3 396 B7R0.5 CCCC(C)C(=O)O HR131664 [1,1,0,0,0,0|1,0,0]=3 397 B7R0.5 CCCC(N)C(=O)O HR122649 [1,1,0,0,0,0|0,0,0]=2 398 B7R0.5 CCCC(N)C(=O)O HR136723 [1,1,0,0,0,0|0,0,0]=2 399 B7R0.5 CCCC(N)C(=O)O HR138486 [1,1,0,0,0,0|0,0,0]=2 400 B7R0.5 CC\C=C(\C)C(=O)O HR131305 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.5 CC\C=C(\C)C(=O)O HR138938 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.5 CNCC(N)C(=O)O HR146211 [1,1,0,0,0,0|0,0,0]=2 403 B7R0.5 COCC(N)C(=O)O HR108882 [1,1,0,0,0,0|0,0,0]=2 404 B7R0.5 COCC(N)C(=O)O HR109701 [1,1,0,0,0,0|0,0,0]=2 405 B7R0.5 COCC(N)C(=O)O HR110015 [1,1,0,0,0,0|0,0,0]=2 406 B7R0.5 COCC(N)C(=O)O HR115078 [1,1,0,0,0,0|0,0,0]=2 407 B7R0.5 COCC(N)C(=O)O HR115700 [1,1,0,0,0,0|0,0,0]=2 408 B7R0.5 CSCC(N)C(=O)O HR134174 [1,1,0,0,0,0|0,0,0]=2 409 B7R0.5 NC(CCBr)C(=O)O HR102483 [1,1,0,0,0,0|0,0,0]=2 410 B7R0.5 NC(CCO)C(=O)O HR122160 [1,1,0,0,0,0|0,0,0]=2 411 B7R0.5 NC(CCO)C(=O)O HR127129 [1,1,0,0,0,0|0,0,0]=2 412 B7R0.5 NC(CCO)C(=O)O HR129910 [1,1,0,0,0,0|0,0,0]=2 413 B7R0.5 NC(CCS)C(=O)O HR100636 [1,1,0,0,0,0|0,0,0]=2 414 B7R0.5 NC(CCS)C(=O)O HR137923 [1,1,0,0,0,0|0,0,0]=2 415 B7R0.5 NCCC(N)C(=O)O HR112825 [1,1,0,0,0,0|0,0,0]=2 416 B7R0.5 NCCC(N)C(=O)O HR14752 [1,1,0,0,0,0|0,0,0]=2 417 B7R0.5 O=C(Cl)C(Br)CCBr HR119984 [1,1,0,0,0,0|2,0,0]=4 418 B7R0.5 O=C(O)C(Br)CCBr HR138979 [1,1,0,0,0,0|1,0,0]=3 419 B7R0.10 CCC(Br)C(=O)OC HR123363 [1,1,0,0,0,0|1,0,0]=3 420 B7R0.10 CCC(C)C(=O)OC HR133876 [1,1,0,0,0,0|1,0,0]=3 421 B7R0.10 CCC(C)C(=O)OC HR143721 [1,1,0,0,0,0|1,0,0]=3 422 B7R0.10 CCC(C)C(=O)SC HR105243 [1,1,0,0,0,0|1,1,0]=4 423 B7R0.10 CCC(C)C(N)CO HR103998 [1,1,0,0,0,0|0,0,1]=3 424 B7R0.10 CCC(C)C(N)CO HR123663 [1,1,0,0,0,0|0,0,1]=3 425 B7R0.10 CCC(O)C(=O)OC HR144357 [1,1,0,0,0,0|1,0,0]=3 426 B7R0.10 CCC(S)C(C)C=O HR125292 [1,1,0,0,0,0|2,0,0]=4 427 B7R0.10 COC(=O)C(Br)CBr HR132839 [1,1,0,0,0,0|2,0,0]=4 428 B7R0.10 COC(=O)C(C)CO HR144262 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.10 COC(=O)C(Cl)CCl HR130110 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.10 COC(=O)C(N)CCl HR117490 [1,1,0,0,0,0|1,0,0]=3 431 B7R0.10 COC(=O)C(N)CO HR126639 [1,1,0,0,0,0|1,0,0]=3 432 B7R0.10 COC(=O)C(N)CO HR134950 [1,1,0,0,0,0|1,0,0]=3 433 B7R0.10 COC(=O)C(N)CO HR136274 [1,1,0,0,0,0|1,0,0]=3 434 B7R0.10 COC(=O)C(N)CO HR146542 [1,1,0,0,0,0|1,0,0]=3 435 B7R0.10 COC(=O)C(N)CS HR136576 [1,1,0,0,0,0|1,0,0]=3 436 B7R0.10 COC(=O)C(O)CO HR119304 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.10 COC(=O)C(O)OC HR135004 [1,1,0,0,0,0|2,0,0]=4 438 B7R0.10 O=C(CO)C(O)CO HR100190 [1,1,0,0,0,0|2,0,0]=4 439 B7R0.10 O=CC(O)C(O)CO HR100969 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.10 O=CC(O)C(O)CO HR101757 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.13 CC(Br)(CBr)C(=O)O HR116031 [1,1,0,0,0,0|2,0,0]=4 442 B7R0.13 CC(C)(CO)C(=O)O HR140236 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.13 CC(C)C(C)(N)C#N HR143100 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.13 CC(N)(CO)C(=O)O HR130651 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.13 CC(O)(CBr)C(=O)O HR104334 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.13 CCC(C)(C)C(=O)Cl HR128409 [1,1,0,0,0,0|2,0,0]=4 447 B7R0.13 CCC(C)(C)C(=O)O HR124650 [1,1,0,0,0,0|1,0,0]=3 448 B7R0.13 CCC(C)(N)C(=O)O HR143390 [1,1,0,0,0,0|0,0,0]=2 449 B7R0.13 CCC(C)(O)C(=O)O HR124635 [1,1,0,0,0,0|1,0,0]=3 450 B7R0.13 NCC(F)(F)C(=O)O HR151254 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.14 CC(C)(C)C(N)CO HR124922 [1,1,0,0,0,0|0,0,1]=3 452 B7R0.14 CC(C)(C)C(N)CO HR133965 [1,1,0,0,0,0|0,0,1]=3 453 B7R0.14 CCC(N)P(=O)(O)O HR114310 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.15 CCC(C=O)C(C)C HR121900 [1,1,0,0,0,0|1,0,0]=3 455 B7R0.15 CCC(CC)C(=O)O HR140709 [1,1,0,0,0,0|1,0,0]=3 456 B7R0.15 CCC(CC)C(N)=O HR138630 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.15 CNC(CO)C(=O)O HR112824 [1,1,0,0,0,0|1,0,0]=3 458 B7R0.15 CNC(CS)C(=O)O HR116844 [1,1,0,0,0,0|1,0,0]=3 459 B7R0.15 O=C(O)C(CBr)CBr HR103071 [1,1,0,0,0,0|2,0,0]=4 460 B9R0.10 CC(C)(C)C(N)CC(=O)O HR116976 [0,1,0,0,0,1|0,0,0]=2 461 B9R0.11 CC(C)CC(C)(N)C(=O)O HR141388 [0,1,0,0,0,1|0,0,0]=2 462 B9R0.23 CC(C)CC(N)C(=O)CCl HR140271 [0,1,0,0,0,1|1,0,0]=3 463 B9R0.23 COC(=O)C(C)CN(C)C HR112699 [0,1,0,0,0,1|2,0,0]=4 464 B9R0.23 COC(=O)C(N)CC(=O)O HR102461 [0,1,0,0,0,1|1,0,1]=4 465 B9R0.23 COC(=O)C(N)CC(=O)O HR129643 [0,1,0,0,0,1|1,0,1]=4 466 B9R0.23 COC(=O)C(N)CC(=O)O HR144063 [0,1,0,0,0,1|1,0,1]=4 467 B9R0.23 COC(=O)C(N)CC(C)C HR126242 [0,1,0,0,0,1|0,0,0]=2 468 B9R0.23 COC(=O)C(N)CC(C)C HR127714 [0,1,0,0,0,1|0,0,0]=2 469 B9R0.23 COC(=O)C(N)CC(C)C TYJB00202 [0,1,0,0,0,1|0,0,0]=2 470 B9R0.39 CNC(CC(C)C)C(=O)O HR144832 [0,1,0,0,0,1|0,0,0]=2 471 B9R0.42 CCC(=O)OC(Cl)C(C)C HR117601 [0,1,0,0,0,1|2,0,0]=4 472 B9R0.42 COC(=O)CC(=O)C(C)C HR131633 [0,1,0,0,0,1|1,0,1]=4 473 B9R0.42 COC(=O)CC(N)C(=O)O HR126403 [0,1,0,0,0,1|1,0,1]=4 474 B9R0.42 COC(=O)CC(N)C(=O)O HR133636 [0,1,0,0,0,1|1,0,1]=4 475 B9R0.42 COC(=O)CC(N)C(=O)O HR144163 [0,1,0,0,0,1|1,0,1]=4 476 B9R0.57 CC(C)(C)CC(=O)C(=O)O HR106255 [0,1,0,0,0,1|1,0,1]=4 477 B9R0.57 CC(C)(C)CC(N)C(=O)O HR144932 [0,1,0,0,0,1|0,0,0]=2 478 B9R0.57 C[Si](C)(C)CC(N)C(=O)O HR141147 [0,1,0,0,0,1|0,1,0]=3 479 B9R0.79 CC(C)C(O)C(N)C(=O)O HR142318 [0,1,0,0,0,1|0,0,0]=2 480 B9R0.79 CC(C)C(O)C(N)C(=O)O HR142415 [0,1,0,0,0,1|0,0,0]=2 481 B9R0.79 CC(C)C(O)C(N)C(=O)O HR142502 [0,1,0,0,0,1|0,0,0]=2 482 B9R0.79 CC(O)C(C)C(N)C(=O)O HR120699 [0,1,0,0,0,1|1,0,0]=3 483 B9R0.79 CC(O)C(C)C(N)C(=O)O HR120942 [0,1,0,0,0,1|1,0,0]=3 484 B9R0.6 CCOC(=O)C(=O)C(C)C HR140341 [0,2,0,0,0,0|1,0,1]=4 485 B9R0.6 CCOC(=O)C(Br)C(C)C HR124370 [0,2,0,0,0,0|1,0,0]=3 486 B9R0.6 CCOC(=O)C(N)C(C)=O HR148536 [0,2,0,0,0,0|1,0,1]=4 487 B9R0.6 CCOC(=O)C(N)C(C)C HR129467 [0,2,0,0,0,0|0,0,0]=2 488 B9R0.6 CCOC(=O)C(N)C(C)C HR139476 [0,2,0,0,0,0|0,0,0]=2 489 B9R0.6 CCOC(=O)C(N)C(C)O HR117025 [0,2,0,0,0,0|1,0,0]=3 490 B9R0.6 CCOC(=O)C(O)C(C)C HR145867 [0,2,0,0,0,0|1,0,0]=3 491 B9R0.6 CCOC(C)C(N)C(=O)O HR142223 [0,2,0,0,0,0|0,0,0]=2 492 B9R0.25 CNC(=O)C(N)C(C)(C)C HR121088 [0,2,0,0,0,0|1,0,0]=3 493 B9R0.25 COC(=O)C(N)C(C)(C)C HR112106 [0,2,0,0,0,0|0,0,0]=2 494 B9R0.25 COC(=O)C(N)C(C)(C)C HR146207 [0,2,0,0,0,0|0,0,0]=2 495 B9R0.25 COC(=O)C(N)C(F)(F)F HR104534 [0,2,0,0,0,0|2,0,0]=4 496 B9R0.25 COC(=O)C(N)C(F)(F)F HR106330 [0,2,0,0,0,0|2,0,0]=4 497 B9R0.27 CCC(C)C(N)C(=O)OC HR129852 [0,2,0,0,0,0|0,0,0]=2 498 B9R0.27 CCC(C)C(N)C(=O)OC RESA02602 [0,2,0,0,0,0|0,0,0]=2 499 B9R0.27 COC(=O)C(N)C(=O)OC HR115167 [0,2,0,0,0,0|1,0,1]=4 500 B9R0.29 CCC(C)C(NC)C(=O)O HR117202 [0,2,0,0,0,0|0,0,0]=2 501 B9R0.33 CC(C)C(NC=O)C(=O)O HR118254 [0,2,0,0,0,0|0,0,0]=2 502 B9R0.33 CCNC(C(=O)O)C(C)C HR145030 [0,2,0,0,0,0|0,0,0]=2 503 B9R0.54 CC(C)C(C(=O)O)C(=O)O HR127468 [0,2,0,0,0,0|1,0,0]=3 504 B9R0.80 [2H]C([2H])([2H])C([2H])(N)C(=O)O HR143615 [0,2,0,0,0,0|2,0,0]=4 505 B7R1.2 CC1=CC(=O)OC1 HR118210 [1,0,0,1,0,0|0,0,2]=4 506 B7R1.2 CC1CCC(=O)O1 HR126256 [1,0,0,1,0,0|2,0,0]=4 507 B7R1.2 CC1CNC(=O)C1 HR146359 [1,0,0,1,0,0|1,0,0]=3 508 B7R1.2 CC1CNC(=O)C1 HR146360 [1,0,0,1,0,0|1,0,0]=3 509 B7R1.2 CC1CNC(=O)C1 HR146369 [1,0,0,1,0,0|1,0,0]=3 510 B7R1.2 CC1COC(=O)O1 HR125363 [1,0,0,1,0,0|1,0,0]=3 511 B7R1.2 CC1COC(=O)O1 HR128407 [1,0,0,1,0,0|1,0,0]=3 512 B7R1.2 CC1COC(=O)O1 HR129273 [1,0,0,1,0,0|1,0,0]=3 513 B7R1.2 CN1CCC(=O)C1 HR102484 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.2 NC1CCC(=O)C1 HR145995 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.2 NC1COC(=O)C1 HR14757 [1,0,0,1,0,0|1,0,0]=3 516 B7R1.2 NC1COC(=O)C1 HR14758 [1,0,0,1,0,0|1,0,0]=3 517 B7R1.2 O=C1CC(O)CN1 HR138458 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.2 O=C1CC(O)CN1 HR138722 [1,0,0,1,0,0|2,0,0]=4 519 B7R1.2 O=C1CC(O)CN1 HR145864 [1,0,0,1,0,0|2,0,0]=4 520 B7R1.2 O=C1CC(O)CO1 HR126625 [1,0,0,1,0,0|1,0,0]=3 521 B7R1.2 O=C1CC(O)CO1 HR127054 [1,0,0,1,0,0|1,0,0]=3 522 B7R1.2 O=C1CC(S)CN1 HR112550 [1,0,0,1,0,0|2,0,0]=4 523 B7R1.2 O=C1COC(=O)C1 HR100364 [1,0,0,1,0,0|1,0,1]=4 524 B7R1.2 O=C1OCC(Cl)O1 HR123970 [1,0,0,1,0,0|2,0,0]=4 525 B7R1.2 O=C1OCC(F)O1 HR135652 [1,0,0,1,0,0|2,0,0]=4 526 B7R1.20 O=C(O)CC1CC1 HR136745 [1,0,0,1,0,0|0,0,0]=2 527 B7R1.4 C=C1CCOC1=O HR130328 [1,0,0,1,0,0|1,0,1]=4 528 B7R1.4 CC1CCCC1=O HR112329 [1,0,0,1,0,0|2,0,0]=4 529 B7R1.4 CC1CCNC1=O HR103871 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.4 CN1CCOC1=O HR132150 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.4 NC1CCCC1O HR123573 [1,0,0,1,0,0|1,0,1]=4 532 B7R1.4 NC1CCCC1O HR126055 [1,0,0,1,0,0|1,0,1]=4 533 B7R1.4 NC1CCCC1O HR126723 [1,0,0,1,0,0|1,0,1]=4 534 B7R1.4 NC1CCCC1O HR135381 [1,0,0,1,0,0|1,0,1]=4 535 B7R1.4 NC1CCCC1O HR142701 [1,0,0,1,0,0|1,0,1]=4 536 B7R1.4 NC1CCNC1=O HR148583 [1,0,0,1,0,0|1,0,0]=3 537 B7R1.4 NC1CCOC1=O HR103069 [1,0,0,1,0,0|0,0,0]=2 538 B7R1.4 NC1CCOC1=O HR134625 [1,0,0,1,0,0|0,0,0]=2 539 B7R1.4 NC1CCOC1=O HR137954 [1,0,0,1,0,0|0,0,0]=2 540 B7R1.4 NC1CCOC1=O HR146738 [1,0,0,1,0,0|0,0,0]=2 541 B7R1.4 NC1CCSC1=O HR137672 [1,0,0,1,0,0|0,1,0]=3 542 B7R1.4 NC1COCC1O HR101952 [1,0,0,1,0,0|1,0,1]=4 543 B7R1.4 NC1CONC1=O HR101265 [1,0,0,1,0,0|2,0,0]=4 544 B7R1.4 NC1CONC1=O HR127398 [1,0,0,1,0,0|2,0,0]=4 545 B7R1.4 NC1CONC1=O HR136196 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.4 NN1CCCC1=O GASA04306 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.4 NN1CCOC1=O HR146108 [1,0,0,1,0,0|1,0,0]=3 548 B7R1.4 O=C1CCCC1Br HR121144 [1,0,0,1,0,0|2,0,0]=4 549 B7R1.4 O=C1CCCC1Cl HR112783 [1,0,0,1,0,0|2,0,0]=4 550 B7R1.4 O=C1NCCC1O HR102172 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.4 O=C1NCCC1O HR113273 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.4 O=C1NCCC1O HR113406 [1,0,0,1,0,0|2,0,0]=4 553 B7R1.4 O=C1NCCC1O HR147016 [1,0,0,1,0,0|2,0,0]=4 554 B7R1.4 O=C1OCCC1Br HR10714 [1,0,0,1,0,0|1,0,0]=3 555 B7R1.18 CC(=O)C1CCC1 HR143826 [1,0,0,1,0,0|2,0,0]=4 556 B7R1.18 NC(=O)C1CCN1 HR115575 [1,0,0,1,0,0|1,0,0]=3 557 B7R1.18 O=C(Cl)C1CCC1 HR129809 [1,0,0,1,0,0|2,0,0]=4 558 B7R1.18 O=C(O)C1CCC1 HR136661 [1,0,0,1,0,0|1,0,0]=3 559 B7R1.18 O=C(O)C1CCN1 HR103406 [1,0,0,1,0,0|0,0,0]=2 560 B7R1.18 O=C(O)C1CCN1 HR106573 [1,0,0,1,0,0|0,0,0]=2 561 B7R1.18 O=C(O)C1CCN1 HR118789 [1,0,0,1,0,0|0,0,0]=2 562 B7R1.18 O=C(O)C1CCN1 HR127792 [1,0,0,1,0,0|0,0,0]=2 563 B7R1.18 O=C(O)C1CCN1 HR132187 [1,0,0,1,0,0|0,0,0]=2 564 B7R1.18 O=C(O)C1CCN1 HR138860 [1,0,0,1,0,0|0,0,0]=2 565 B7R1.18 O=C(O)C1CCO1 HR109624 [1,0,0,1,0,0|1,0,0]=3 566 B7R1.18 O=C(O)C1CNC1 SIJL01006 [1,0,0,1,0,0|2,0,0]=4 567 B7R1.18 O=C(O)C1COC1 HR111082 [1,0,0,1,0,0|2,0,0]=4 568 B7R1.19 CC1(C(=O)O)CC1 HR142472 [1,0,0,1,0,0|1,0,0]=3 569 B7R1.19 NC1(C(=O)O)CC1 HR136208 [1,0,0,1,0,0|0,0,0]=2 570 B7R1.19 O=C(O)C1(O)CC1 HR130601 [1,0,0,1,0,0|1,0,0]=3 571 B7R1.22 N\C(=N\O)C1CC1 HR147681 [1,0,0,1,0,0|1,0,1]=4 572 B9R1.35 CC(C)C1COC(=O)N1 ATXF02509 [0,0,0,1,0,1|1,0,0]=3 573 B9R1.35 CC(C)C1COC(=O)N1 HR126546 [0,0,0,1,0,1|1,0,0]=3 574 B9R1.35 CC1CCC(C(=O)O)N1 HR139798 [0,0,0,1,0,1|1,0,0]=3 575 B9R1.35 CC1CNC(C(=O)O)C1 HR112962 [0,0,0,1,0,1|0,0,0]=2 576 B9R1.35 CN1CCC(C(=O)O)C1 HR110153 [0,0,0,1,0,1|2,0,0]=4 577 B9R1.35 CN1CCC(C(=O)O)C1 HR119950 [0,0,0,1,0,1|2,0,0]=4 578 B9R1.35 NC(=O)C1CC(F)CN1 HR149040 [0,0,0,1,0,1|2,0,0]=4 579 B9R1.35 NC1CCC(C(=O)O)C1 HR139989 [0,0,0,1,0,1|2,0,0]=4 580 B9R1.35 NC1CCC(C(=O)O)C1 HR145717 [0,0,0,1,0,1|2,0,0]=4 581 B9R1.35 NC1CCC(C(=O)O)C1 HR145718 [0,0,0,1,0,1|2,0,0]=4 582 B9R1.35 NC1CCC(C(=O)O)C1 HR145728 [0,0,0,1,0,1|2,0,0]=4 583 B9R1.35 NC1CCC(C(=O)O)C1 HR145729 [0,0,0,1,0,1|2,0,0]=4 584 B9R1.35 NC1CCC(C(=O)O)C1 HR145730 [0,0,0,1,0,1|2,0,0]=4 585 B9R1.35 NC1CCC(C(=O)O)C1 HR145731 [0,0,0,1,0,1|2,0,0]=4 586 B9R1.35 O=C(O)C1CC(Br)CN1 HR140082 [0,0,0,1,0,1|1,0,0]=3 587 B9R1.35 O=C(O)C1CC(Br)CN1 HR140177 [0,0,0,1,0,1|1,0,0]=3 588 B9R1.35 O=C(O)C1CC(F)CN1 HR108720 [0,0,0,1,0,1|1,0,0]=3 589 B9R1.35 O=C(O)C1CC(F)CN1 HR139799 [0,0,0,1,0,1|1,0,0]=3 590 B9R1.35 O=C(O)C1CC(F)CN1 HR139893 [0,0,0,1,0,1|1,0,0]=3 591 B9R1.35 O=C(O)C1CC(F)CN1 HR139990 [0,0,0,1,0,1|1,0,0]=3 592 B9R1.35 O=C(O)C1CC(O)CN1 HR101774 [0,0,0,1,0,1|1,0,0]=3 593 B9R1.35 O=C(O)C1CC(O)CN1 HR117442 [0,0,0,1,0,1|1,0,0]=3 594 B9R1.35 O=C(O)C1CC(O)CN1 HR130957 [0,0,0,1,0,1|1,0,0]=3 595 B9R1.35 O=C(O)C1CC(O)CN1 HR133285 [0,0,0,1,0,1|1,0,0]=3 596 B9R1.35 O=C(O)C1CC(O)CN1 HR134096 [0,0,0,1,0,1|1,0,0]=3 597 B9R1.35 O=C(O)C1CC(O)CN1 HR136136 [0,0,0,1,0,1|1,0,0]=3 598 B9R1.35 O=C(O)C1CC(O)CN1 HR139314 [0,0,0,1,0,1|1,0,0]=3 599 B9R1.35 O=C(O)C1CCC(O)C1 HR145784 [0,0,0,1,0,1|2,0,0]=4 600 B9R1.35 O=C(O)C1CCC(O)C1 HR145786 [0,0,0,1,0,1|2,0,0]=4 601 B9R1.35 O=C(O)C1CCC(O)C1 HR145787 [0,0,0,1,0,1|2,0,0]=4 602 B9R1.35 O=C(O)C1CCC(O)C1 HR145788 [0,0,0,1,0,1|2,0,0]=4 603 B9R1.36 CC1SC(C)(C)OC1=O HR110633 [0,0,0,1,0,1|1,0,0]=3 604 B9R1.38 CC1(C)OC(=O)NC1=O HR125759 [0,0,0,1,0,1|1,0,1]=4 605 B9R1.112 NC(CC1CC1)C(=O)O HR125932 [0,0,0,1,0,1|0,0,0]=2 606 B9R1.112 NC(CC1CC1)C(=O)O HR130432 [0,0,0,1,0,1|0,0,0]=2 607 B9R1.164 CC1(C)CC(C(=O)O)C1 HR110821 [0,0,0,1,0,1|1,0,0]=3 608 B9R1.164 CC1(O)CC(C(=O)O)C1 HR144492 [0,0,0,1,0,1|2,0,0]=4 609 B9R1.37 CC1CC(=O)C(=O)C1C HR124020 [0,1,0,1,0,0|1,0,1]=4 610 B9R1.41 CC1CCNC1C(=O)O HR139699 [0,1,0,1,0,0|0,0,0]=2 611 B9R1.41 CN1CCCC1C(=O)O HR102016 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.41 CN1CCCC1C(=O)O HR139408 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.41 CN1CCCC1C(=O)O HR139601 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.41 CN1CCCC1C(=O)O HR147686 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.41 NC1CCCC1C(=O)O HR11111 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.41 NC1CCCC1C(=O)O HR112426 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.41 NC1CCCC1C(=O)O HR112742 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.41 NC1CCCC1C(=O)O HR113061 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.41 NC1CCCC1C(=O)O HR117553 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.41 O=C(O)C1NCCC1O HR100963 [0,1,0,1,0,0|1,0,0]=3 621 B9R1.41 O=C(O)C1NCCC1O HR146202 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.93 C=CC1CC1(N)C(=O)O HR112397 [0,1,0,1,0,0|0,0,1]=3 623 B9R1.110 NC(C(=O)O)C1COC1 HR102481 [0,1,0,1,0,0|0,0,0]=2 624 B9R1.138 CC1(C)COC(=O)C1=O HR142382 [0,1,0,1,0,0|1,0,1]=4 625 B9R1.138 CC1(C)COC(=O)C1O HR122714 [0,1,0,1,0,0|1,0,0]=3 626 B9R1.138 CC1(C)COC(=O)C1O HR136373 [0,1,0,1,0,0|1,0,0]=3 627 B9R1.138 CC1(C)COC(=O)C1O HR136632 [0,1,0,1,0,0|1,0,0]=3 628 B7R0.6 CC(=O)CCC(=O)O HR127576 [1,0,0,0,0,1|1,0,1]=4 629 B7R0.6 CC(=O)NCC(=O)O HR138579 [1,0,0,0,0,1|1,0,1]=4 630 B7R0.6 CC(=O)OCC(=O)O HR120464 [1,0,0,0,0,1|1,0,1]=4 631 B7R0.6 CC(=O)\C=C\C(C)C HR142759 [1,0,0,0,0,1|1,0,1]=4 632 B7R0.6 CC(C)=CCC(=O)O HR108591 [1,0,0,0,0,1|0,0,1]=3 633 B7R0.6 CC(C)CCB(O)O HR142030 [1,0,0,0,0,1|1,0,1]=4 634 B7R0.6 CC(C)CCC(=O)Cl HR101969 [1,0,0,0,0,1|1,0,0]=3 635 B7R0.6 CC(C)CCC(=O)O HR141883 [1,0,0,0,0,1|0,0,0]=2 636 B7R0.6 CC(C)\C=C\C(=O)[O-] HR107648 [1,0,0,0,0,1|0,0,2]=4 637 B7R0.6 CN(C)CCC(=O)O HR114553 [1,0,0,0,0,1|1,0,0]=3 638 B7R0.6 CN(C)CCC(=O)O HR147791 [1,0,0,0,0,1|1,0,0]=3 639 B7R0.6 C[S+](C)CCC(=O)O HR107679 [1,0,0,0,0,1|1,0,0]=3 640 B7R0.6 C[S+](C)CCC(=O)[O-] HR144459 [1,0,0,0,0,1|1,0,1]=4 641 B9R0.7 CC(=O)OCC(N)C(=O)O HR139137 [0,0,0,0,0,2|1,0,1]=4 642 B9R0.7 CC(C)CCC(N)C(=O)O HR144426 [0,0,0,0,0,2|0,0,0]=2 643 B9R0.7 CS(=O)CCC(N)C(=O)O HR111901 [0,0,0,0,0,2|2,0,0]=4 644 B9R0.7 CS(=O)CCC(N)C(=O)O HR140530 [0,0,0,0,0,2|2,0,0]=4 645 B9R0.7 C[S+](C)CCC(N)C(=O)O HR141889 [0,0,0,0,0,2|1,0,0]=3 646 B9R0.53 CC(C)CC(N)CC(=O)O HR135813 [0,0,0,0,0,2|0,0,0]=2