0 B8R0.23 C(=C(Cl)Cl)C(C(=O)O)N TS45077 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.23 C(C(C(=O)O)Br)C(=O)O TS53789 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 C(C(C(=O)O)Cl)C(=O)O TS10241 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 C(C(C(=O)O)N)C(=O)N TS36641 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 C(C(C(=O)O)N)C(=O)N TS40817 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 C(C(C(=O)O)O)C(=O)O TS05865 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 C(C(C(=O)O)O)C(=O)O TS23073 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.23 C(C(C(=O)O)S)C(=O)O TS09847 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] TS41549 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] TS45294 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] TS93538 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.23 C([C@@H](C(=O)N)N)C(=O)N TS12435 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O TS36647 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.23 C([C@@H](C(=O)O)Br)C(=O)O TS53790 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.23 C([C@@H](C(=O)O)Cl)C(=O)O TS10240 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O TS05808 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O TS77146 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.23 C([C@@H](C(=O)O)N)S(=O)O TS41261 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O TS05866 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] TS45295 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] TS45583 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] TS57977 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] TS63611 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] TS84257 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.23 C([C@H](C(=O)N)N)C(=O)O TS36642 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.23 C([C@H](C(=O)O)Cl)C(=O)O TS10242 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.23 C([C@H](C(=O)O)N)C(=O)O TS93443 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.23 C([C@H](C(=O)O)O)C(=O)O TS01888 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.23 CC(C)C=C(C)C(=O)O TS36308 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.23 CC(C)CC(=O)C(=O)O TS05517 [0,0,0,0,0,0|1,0,1]=2 31 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS41088 [0,0,0,0,0,0|1,0,2]=3 32 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS56034 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.23 CC(C)CC(C(=O)N)N TS43163 [0,0,0,0,0,0|1,0,0]=1 34 B8R0.23 CC(C)CC(C(=O)O)Br TS51948 [0,0,0,0,0,0|1,0,0]=1 35 B8R0.23 CC(C)CC(C(=O)O)N TS36599 [0,0,0,0,0,0|0,0,0]=0 36 B8R0.23 CC(C)CC(C(=O)O)N TS36676 [0,0,0,0,0,0|0,0,0]=0 37 B8R0.23 CC(C)CC(C(=O)O)O TS05722 [0,0,0,0,0,0|1,0,0]=1 38 B8R0.23 CC(C)CC(C)C(=O)O TS36502 [0,0,0,0,0,0|1,0,0]=1 39 B8R0.23 CC(C)CC(C)C(C)C TS36369 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS36522 [0,0,0,0,0,0|1,0,0]=1 41 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS43161 [0,0,0,0,0,0|1,0,0]=1 42 B8R0.23 CC(C)C[C@@H](C(=O)O)Br TS17994 [0,0,0,0,0,0|1,0,0]=1 43 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl TS09969 [0,0,0,0,0,0|1,0,0]=1 44 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS01527 [0,0,0,0,0,0|0,0,0]=0 45 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS18946 [0,0,0,0,0,0|0,0,0]=0 46 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS36675 [0,0,0,0,0,0|0,0,0]=0 47 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS93953 [0,0,0,0,0,0|0,0,0]=0 48 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS05731 [0,0,0,0,0,0|1,0,0]=1 49 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS94480 [0,0,0,0,0,0|1,0,0]=1 50 B8R0.23 CC(C)C[C@H](C(=O)N)N TS43166 [0,0,0,0,0,0|1,0,0]=1 51 B8R0.23 CC(C)C[C@H](C(=O)O)N TS59534 [0,0,0,0,0,0|0,0,0]=0 52 B8R0.23 CC(CC(=O)C)C(=O)O TS05533 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.23 CC(CC(=O)O)C(=O)O TS00108 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.23 CC(CN(C)C)C(=O)C TS05484 [0,0,0,0,0,0|3,0,0]=3 55 B8R0.23 CN(C)C[C@@H](C(=O)O)N TS36673 [0,0,0,0,0,0|1,0,0]=1 56 B8R0.23 CN(C)C[C@H](C(=O)O)N TS36670 [0,0,0,0,0,0|1,0,0]=1 57 B8R0.23 CS(=O)C[C@@H](C(=O)O)N TS10058 [0,0,0,0,0,0|2,0,0]=2 58 B8R0.23 C[C@@H](C(=O)O)OC(=O)C TS05702 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.23 C[C@@H](CC(=O)O)C(=O)O TS05707 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.23 C[C@H](CC(=O)O)C(=O)O TS05708 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.2 CC(C)CC(=NO)C TS32168 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.2 CC(C)CC(C#C)O TS04314 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.2 CC(C)CC(C)C=C TS04359 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.2 CC(C)CC(C)CO TS04618 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.2 CC(C)C[C@H](CO)N TS39858 [1,0,0,0,0,0|0,0,1]=2 66 B7R0.2 CC(C)NC(=NO)N TS04682 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.2 CCC(C)CC(C)C TS04502 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.2 CCC(CC(C)C)O TS32246 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.2 CN(C)CC(CO)O TS65701 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.5 C#CCC(C(=O)O)N TS04373 [1,0,0,0,0,0|0,0,2]=3 71 B7R0.5 C#CC[C@H](C(=O)O)N TS04370 [1,0,0,0,0,0|0,0,2]=3 72 B7R0.5 C(C#N)[C@@H](C(=O)O)N TS32049 [1,0,0,0,0,0|1,0,1]=3 73 B7R0.5 C(C=O)C(C(=O)O)N TS32274 [1,0,0,0,0,0|1,0,1]=3 74 B7R0.5 C(CBr)C(C(=O)O)Br TS27394 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.5 C(CBr)[C@@H](C(=O)O)N TS68673 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.5 C(CN)C(C(=O)O)N TS32337 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.5 C(CN)C(C(=O)O)N TS51238 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.5 C(CN)C(C(=O)O)O TS02964 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.5 C(CN)[C@@H](C(=O)O)N TS01514 [1,0,0,0,0,0|1,0,0]=2 80 B7R0.5 C(CN)[C@@H](C(=O)O)N TS54154 [1,0,0,0,0,0|1,0,0]=2 81 B7R0.5 C(CN)[C@@H](C(=O)O)O TS46625 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.5 C(CN)[C@H](C(=O)O)F TS04856 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.5 C(CN)[C@H](C(=O)O)N TS04719 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.5 C(CN)[C@H](C(=O)O)N TS51237 [1,0,0,0,0,0|1,0,0]=2 85 B7R0.5 C(CO)C(C(=O)O)N TS32380 [1,0,0,0,0,0|1,0,0]=2 86 B7R0.5 C(CO)[C@@H](C(=O)O)N TS01524 [1,0,0,0,0,0|1,0,0]=2 87 B7R0.5 C(CO)[C@@H](C(=O)O)N TS59867 [1,0,0,0,0,0|1,0,0]=2 88 B7R0.5 C(CO)[C@@H](C(=O)O)O TS32406 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.5 C(CO)[C@H](C(=O)O)N TS01423 [1,0,0,0,0,0|1,0,0]=2 90 B7R0.5 C(CS)C(C(=O)O)N TS05996 [1,0,0,0,0,0|1,0,0]=2 91 B7R0.5 C(CS)[C@@H](C(=O)O)N TS05998 [1,0,0,0,0,0|1,0,0]=2 92 B7R0.5 C(CS)[C@H](C(=O)O)N TS05994 [1,0,0,0,0,0|1,0,0]=2 93 B7R0.5 C=CCC(C(=O)O)N TS22958 [1,0,0,0,0,0|0,0,2]=3 94 B7R0.5 C=CC[C@@H](C(=O)O)N TS59542 [1,0,0,0,0,0|0,0,2]=3 95 B7R0.5 C=CC[C@H](C(=O)O)N TS01416 [1,0,0,0,0,0|0,0,2]=3 96 B7R0.5 C=CC[C@H](C(=O)O)N TS41064 [1,0,0,0,0,0|0,0,2]=3 97 B7R0.5 CC(CC=C)C(=O)O TS04437 [1,0,0,0,0,0|1,0,2]=4 98 B7R0.5 CCC=C(C)C(=O)O TS04448 [1,0,0,0,0,0|1,0,2]=4 99 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.5 CCCC(=O)C(=O)O TS32183 [1,0,0,0,0,0|1,0,1]=3 101 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [1,0,0,0,0,0|1,0,2]=4 102 B7R0.5 CCCC(C(=O)Cl)Br TS18873 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.5 CCCC(C(=O)O)Br TS14719 [1,0,0,0,0,0|1,0,0]=2 104 B7R0.5 CCCC(C(=O)O)N TS04663 [1,0,0,0,0,0|0,0,0]=1 105 B7R0.5 CCCC(C(=O)[O-])O TS06422 [1,0,0,0,0,0|1,0,1]=3 106 B7R0.5 CCCC(C)C(=C)C TS31970 [1,0,0,0,0,0|3,0,0]=4 107 B7R0.5 CCCC(C)C(=O)C TS04464 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.5 CCCC(C)C(=O)Cl TS05952 [1,0,0,0,0,0|2,0,0]=3 109 B7R0.5 CCCC(C)C(C)O TS32245 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [1,0,0,0,0,0|1,0,0]=2 111 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [1,0,0,0,0,0|0,0,0]=1 112 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [1,0,0,0,0,0|0,0,0]=1 113 B7R0.5 CNC[C@@H](C(=O)O)N TS32335 [1,0,0,0,0,0|1,0,0]=2 114 B7R0.5 CNC[C@H](C(=O)O)N TS32332 [1,0,0,0,0,0|1,0,0]=2 115 B7R0.5 COCC(C(=O)O)Cl TS55196 [1,0,0,0,0,0|2,0,0]=3 116 B7R0.5 COCC(C(=O)O)N TS32379 [1,0,0,0,0,0|1,0,0]=2 117 B7R0.5 COC[C@@H](C(=O)O)N TS32377 [1,0,0,0,0,0|1,0,0]=2 118 B7R0.5 COC[C@@H](C(=O)O)N TS41554 [1,0,0,0,0,0|1,0,0]=2 119 B7R0.5 COC[C@H](C(=O)O)N TS59337 [1,0,0,0,0,0|1,0,0]=2 120 B7R0.5 CSC[C@@H](C(=O)O)N TS01687 [1,0,0,0,0,0|1,0,0]=2 121 B7R0.5 [2H]CN[C@@H](C)C(=O)O TS31638 [1,0,0,0,0,0|3,0,0]=4 122 B7R0.6 C(CC(=O)O)C(=O)N TS32275 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.6 C(CC(=O)O)C(=O)O TS04698 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.6 C(CC(=O)O)C(=O)O TS79519 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.6 C(C[N+](=O)[O-])C(=O)O TS32372 [1,0,0,0,0,0|3,0,0]=4 126 B7R0.6 CC(=C)CCC(=O)C TS04310 [1,0,0,0,0,0|1,0,2]=4 127 B7R0.6 CC(=CCC(=O)O)C TS04452 [1,0,0,0,0,0|0,0,2]=3 128 B7R0.6 CC(=O)CCC(=O)C TS00680 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.6 CC(=O)CCC(=O)O TS64917 [1,0,0,0,0,0|1,0,1]=3 130 B7R0.6 CC(=O)NCC(=O)O TS33214 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.6 CC(=O)OCC(=O)O TS04693 [1,0,0,0,0,0|2,0,1]=4 132 B7R0.6 CC(C)C=CC(=O)C TS01150 [1,0,0,0,0,0|1,0,2]=4 133 B7R0.6 CC(C)C=CC(=O)O TS04440 [1,0,0,0,0,0|0,0,2]=3 134 B7R0.6 CC(C)CCC(=C)C TS31967 [1,0,0,0,0,0|2,0,0]=3 135 B7R0.6 CC(C)CCC(=O)C TS32095 [1,0,0,0,0,0|1,0,0]=2 136 B7R0.6 CC(C)CCC(=O)Cl TS05954 [1,0,0,0,0,0|1,0,0]=2 137 B7R0.6 CC(C)CCC(=O)O TS32208 [1,0,0,0,0,0|0,0,0]=1 138 B7R0.6 CC(C)CCC(C)C TS04511 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.6 CC(C)CCC(C)N TS04558 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.6 CC(C)CCC(C)O TS32237 [1,0,0,0,0,0|1,0,1]=3 141 B7R0.6 CC(C)CNC(=O)N TS04600 [1,0,0,0,0,0|2,0,0]=3 142 B7R0.6 CC(C)CNC(=S)N TS05782 [1,0,0,0,0,0|2,1,0]=4 143 B7R0.6 CC(C)COC(=O)C TS04598 [1,0,0,0,0,0|2,0,0]=3 144 B7R0.6 CC(C)COC(=O)Cl TS74510 [1,0,0,0,0,0|2,0,0]=3 145 B7R0.6 CC(C)COC(=O)N TS32285 [1,0,0,0,0,0|2,0,0]=3 146 B7R0.6 CC(C)CO[N+](=O)[O-] TS32375 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.6 CC(C)OCC(=O)O TS04716 [1,0,0,0,0,0|1,0,0]=2 148 B7R0.6 CC(CCC(=C)C)O TS32103 [1,0,0,0,0,0|3,0,0]=4 149 B7R0.6 CC(CCC(=O)Cl)Cl TS10541 [1,0,0,0,0,0|2,0,0]=3 150 B7R0.6 CC(CCC(C)O)O TS04747 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.6 CC(COC(=O)C)O TS32324 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.6 C[S+](C)CCC(=O)O TS12940 [1,0,0,0,0,0|1,0,0]=2 153 B7R0.6 C[S+](C)CCC(=O)O TS21843 [1,0,0,0,0,0|1,0,0]=2 154 B7R0.6 C[S+](C)CCC(=O)[O-] TS39378 [1,0,0,0,0,0|1,0,1]=3 155 B9R0.10 CC(C)CC(N)P(=O)(O)O TS43189 [0,1,0,0,0,0|1,0,0]=2 156 B9R0.11 CC(C)CC(C)(C(=O)O)N TS40321 [0,1,0,0,0,0|0,0,0]=1 157 B9R0.11 CC(C)CC(C)(C)C(=O)C TS06755 [0,1,0,0,0,0|2,0,0]=3 158 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N TS40326 [0,1,0,0,0,0|0,0,0]=1 159 B9R0.11 CC(CC(=O)O)(C(=O)O)N TS40505 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N TS40504 [0,1,0,0,0,0|2,0,1]=4 161 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N TS40506 [0,1,0,0,0,0|2,0,1]=4 162 B9R0.23 CC(C)CC(C(=O)NN)N TS07112 [0,1,0,0,0,0|1,0,0]=2 163 B9R0.23 CC(C)CC(C(=O)OC)N TS48158 [0,1,0,0,0,0|0,0,0]=1 164 B9R0.23 CC(C)C[C@@H](C(=O)N[O-])N TS07238 [0,1,0,0,0,0|0,0,1]=2 165 B9R0.23 CC(C)C[C@@H](C(=O)OC)N TS48150 [0,1,0,0,0,0|0,0,0]=1 166 B9R0.23 CC(C)C[C@H](C(=O)OC)N TS48153 [0,1,0,0,0,0|0,0,0]=1 167 B9R0.23 CC(CN(C)C)C(=O)OC TS40316 [0,1,0,0,0,0|2,0,0]=3 168 B9R0.23 COC(=O)C(CC(=O)O)N TS40492 [0,1,0,0,0,0|2,0,1]=4 169 B9R0.23 COC(=O)[C@@H](CC(=O)N)N TS07178 [0,1,0,0,0,0|2,0,1]=4 170 B9R0.23 COC(=O)[C@H](CC(=O)N)N TS48357 [0,1,0,0,0,0|2,0,1]=4 171 B9R0.23 COC(=O)[C@H](CC(=O)O)N TS40509 [0,1,0,0,0,0|2,0,1]=4 172 B9R0.39 CC(C)CC(C(=O)O)NC TS40324 [0,1,0,0,0,0|0,0,0]=1 173 B9R0.39 CC(C)C[C@@H](C(=O)O)NC TS07105 [0,1,0,0,0,0|0,0,0]=1 174 B9R0.39 CNC(CC(=O)O)C(=O)O TS40500 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O TS40503 [0,1,0,0,0,0|2,0,1]=4 176 B9R0.42 CCC(C)CC(C)C(=O)O TS06984 [0,1,0,0,0,0|1,0,0]=2 177 B9R0.42 CNC(=O)C[C@H](C(=O)O)N TS07177 [0,1,0,0,0,0|1,0,1]=3 178 B9R0.42 COC(=O)CC(C(=O)O)N TS39257 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.42 COC(=O)CC(C(=O)O)O TS93995 [0,1,0,0,0,0|2,0,1]=4 180 B9R0.42 COC(=O)C[C@@H](C(=O)O)N TS56172 [0,1,0,0,0,0|1,0,1]=3 181 B9R0.42 COC(=O)C[C@@H](C(=O)O)N TS64913 [0,1,0,0,0,0|1,0,1]=3 182 B9R0.42 COC(=O)C[C@H](C(=O)O)N TS40498 [0,1,0,0,0,0|1,0,1]=3 183 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O TS44984 [0,1,0,0,0,0|3,0,0]=4 184 B9R0.57 C([C@@H](C(=O)O)N)P(=O)(O)O TS44967 [0,1,0,0,0,0|3,0,0]=4 185 B9R0.57 C([C@@H](C(=O)O)N)S(=O)(=O)O TS15768 [0,1,0,0,0,0|3,0,0]=4 186 B9R0.57 C([C@H](C(=O)O)N)P(=O)(O)O TS44964 [0,1,0,0,0,0|3,0,0]=4 187 B9R0.57 CC(C)(C)CC(=O)C(=O)O TS06947 [0,1,0,0,0,0|1,0,1]=3 188 B9R0.57 CC(C)(C)CC(C(=O)O)N TS40315 [0,1,0,0,0,0|0,0,0]=1 189 B9R0.57 CC(CC(F)(F)F)C(=O)O TS10639 [0,1,0,0,0,0|3,0,0]=4 190 B9R0.79 C(C(C(=O)O)N)(C(=O)O)N TS40593 [0,1,0,0,0,0|2,0,1]=4 191 B9R0.79 CC(C(C(=O)O)N)C(=O)O TS40502 [0,1,0,0,0,0|2,0,1]=4 192 B9R0.79 CC(C)[C@@H]([C@@H](C(=O)O)N)O TS40512 [0,1,0,0,0,0|0,0,0]=1 193 B9R0.79 CC(C)[C@@H]([C@H](C(=O)O)N)O TS40515 [0,1,0,0,0,0|0,0,0]=1 194 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O TS59849 [0,1,0,0,0,0|0,0,0]=1 195 B9R0.79 CC(C)[C@H]([C@H](C(=O)O)N)O TS07319 [0,1,0,0,0,0|0,0,0]=1 196 B9R0.79 [C@@H]([C@@H](C(=O)O)O)(C(=O)O)N TS40710 [0,1,0,0,0,0|2,0,1]=4 197 B9R0.79 [C@@H]([C@H](C(=O)O)F)(C(=O)O)N TS09994 [0,1,0,0,0,0|2,0,1]=4 198 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)N TS07537 [0,1,0,0,0,0|2,0,1]=4 199 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)N TS07538 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.79 [C@H](C(C(=O)O)O)(C(=O)O)N TS07539 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.79 [C@H]([C@H](C(=O)O)O)(C(=O)O)N TS07536 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.35 C1C(OC(S1)C(=O)O)O TS09846 [0,0,0,1,0,0|3,0,0]=4 203 B9R1.35 C1CC(=O)CC1C(=O)O TS70700 [0,0,0,1,0,0|2,0,1]=4 204 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O TS90178 [0,0,0,1,0,0|2,0,1]=4 205 B9R1.35 C1CC(=O)C[C@H]1C(=O)O TS86854 [0,0,0,1,0,0|2,0,1]=4 206 B9R1.35 C1CC(CC1C(=O)O)N TS39702 [0,0,0,1,0,0|2,0,0]=3 207 B9R1.35 C1C[C@@H](C[C@H]1C(=O)O)O TS36473 [0,0,0,1,0,0|2,0,0]=3 208 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N TS08777 [0,0,0,1,0,0|2,0,0]=3 209 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N TS92868 [0,0,0,1,0,0|2,0,0]=3 210 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N TS92542 [0,0,0,1,0,0|2,0,0]=3 211 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O TS11765 [0,0,0,1,0,0|2,0,1]=4 212 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O TS36219 [0,0,0,1,0,0|2,0,1]=4 213 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)Br TS46524 [0,0,0,1,0,0|1,0,0]=2 214 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F TS46525 [0,0,0,1,0,0|1,0,0]=2 215 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)N TS46523 [0,0,0,1,0,0|1,0,0]=2 216 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S TS85743 [0,0,0,1,0,0|1,0,0]=2 217 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)F TS08009 [0,0,0,1,0,0|1,0,0]=2 218 B9R1.35 C1[C@H](C=C[C@@H]1N)C(=O)O TS36226 [0,0,0,1,0,0|2,0,1]=4 219 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O TS08776 [0,0,0,1,0,0|2,0,1]=4 220 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O TS11766 [0,0,0,1,0,0|2,0,1]=4 221 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)Br TS46521 [0,0,0,1,0,0|1,0,0]=2 222 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F TS01733 [0,0,0,1,0,0|1,0,0]=2 223 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)N TS46520 [0,0,0,1,0,0|1,0,0]=2 224 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O TS01525 [0,0,0,1,0,0|1,0,0]=2 225 B9R1.35 C1[C@H](NCC1=O)C(=O)O TS43718 [0,0,0,1,0,0|1,0,1]=3 226 B9R1.35 C1[C@H](NCC1=O)C(=O)O TS71273 [0,0,0,1,0,0|1,0,1]=3 227 B9R1.35 C1[C@H](NCC1=O)C(=O)O TS94150 [0,0,0,1,0,0|1,0,1]=3 228 B9R1.35 CC1N[C@H](CS1)C(=O)O TS07362 [0,0,0,1,0,0|3,0,0]=4 229 B9R1.35 CN1CCC(C1)C(=O)O TS42973 [0,0,0,1,0,0|2,0,0]=3 230 B9R1.35 CN1CCC(C1)C(=O)O TS47006 [0,0,0,1,0,0|2,0,0]=3 231 B9R1.35 CN1CC[C@@H](C1)C(=O)O TS88736 [0,0,0,1,0,0|2,0,0]=3 232 B9R1.35 CN1CC[C@H](C1)C(=O)O TS91774 [0,0,0,1,0,0|2,0,0]=3 233 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O TS05455 [0,0,0,1,0,0|0,0,0]=1 234 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O TS36399 [0,0,0,1,0,0|0,0,0]=1 235 B9R1.36 CC1C(=O)OC(S1)(C)C TS40452 [0,0,0,1,0,0|2,0,0]=3 236 B9R1.36 CC1CC(CC1=O)(C)C TS36158 [0,0,0,1,0,0|2,0,0]=3 237 B9R1.38 CC1CC(S(=O)(=O)C1)C TS07489 [0,0,0,1,0,0|2,0,1]=4 238 B9R1.69 CC1CCC(=O)N(C1)C TS36241 [0,0,0,1,0,0|3,0,0]=4 239 B9R1.69 CC1CCC(C(C1)C)O TS05396 [0,0,0,1,0,0|2,0,1]=4 240 B9R1.69 CC1CN(CCC1=O)C TS00372 [0,0,0,1,0,0|3,0,0]=4 241 B9R1.112 C1CC1CC(C(=O)O)N TS05457 [0,0,0,1,0,0|0,0,0]=1 242 B9R1.112 C1CC1C[C@@H](C(=O)O)N TS02288 [0,0,0,1,0,0|0,0,0]=1 243 B9R1.112 C1CC1C[C@@H](C(=O)O)N TS42976 [0,0,0,1,0,0|0,0,0]=1 244 B9R1.112 C1CC1C[C@H](C(=O)O)N TS36407 [0,0,0,1,0,0|0,0,0]=1 245 B9R1.152 C1C(CC1(C(=O)O)N)F TS88733 [0,0,0,1,0,0|1,0,0]=2 246 B9R1.152 C1[C@@](C[C@@H]1F)(N)C(=O)O TS91990 [0,0,0,1,0,0|1,0,0]=2 247 B9R1.152 C1[C@@](C[C@H]1F)(N)C(=O)O TS92484 [0,0,0,1,0,0|1,0,0]=2 248 B9R1.152 CC1(CC(=C)C1)C(=O)O TS91773 [0,0,0,1,0,0|1,0,2]=4 249 B9R1.152 CC1(CC(=O)C1)C(=O)O TS86052 [0,0,0,1,0,0|2,0,1]=4 250 B9R1.152 C[C@]1(C[C@@H](C1)N)C(=O)O TS91863 [0,0,0,1,0,0|2,0,0]=3 251 B9R1.152 C[C@]1(C[C@H](C1)N)C(=O)O TS89440 [0,0,0,1,0,0|2,0,0]=3 252 B9R1.164 C1C(CC1(F)F)C(=O)O TS90372 [0,0,0,1,0,0|3,0,0]=4 253 B9R1.164 CC1(CC(=C1)C(=O)O)C TS87565 [0,0,0,1,0,0|1,0,1]=3 254 B9R1.164 CC1(CC(C1)C(=O)O)C TS36298 [0,0,0,1,0,0|1,0,0]=2 255 B9R1.164 CC1(CC(C1)C(=O)O)O TS86794 [0,0,0,1,0,0|2,0,0]=3 256 B9R1.164 C[C@]1(C[C@@H](C1)C(=O)O)O TS92176 [0,0,0,1,0,0|2,0,0]=3 257 B9R1.164 C[C@]1(C[C@H](C1)C(=O)O)O TS91859 [0,0,0,1,0,0|2,0,0]=3 258 B9R1.169 CC1(CC1(Cl)Cl)C(=O)O TS44957 [0,0,0,1,0,0|3,0,0]=4 259 B9R1.169 CC1(CC1(F)F)C(=O)O TS06038 [0,0,0,1,0,0|3,0,0]=4 260 B7R0.16 C(C(=O)O)(C(=O)O)N TS01343 [0,0,0,0,1,0|2,0,1]=4 261 B7R0.16 CC(C(C(=O)O)Br)Br TS27396 [0,0,0,0,1,0|2,0,0]=3 262 B7R0.16 CC(C(C(=O)O)N)F TS04855 [0,0,0,0,1,0|1,0,0]=2 263 B7R0.16 CC(C(C(=O)O)N)N TS32333 [0,0,0,0,1,0|1,0,0]=2 264 B7R0.16 CC(C(C(=O)O)N)O TS32381 [0,0,0,0,1,0|1,0,0]=2 265 B7R0.16 CC(C)C(=O)C(=O)[O-] TS30827 [0,0,0,0,1,0|1,0,2]=4 266 B7R0.16 CC(C)C(C(=C)C)O TS32111 [0,0,0,0,1,0|3,0,0]=4 267 B7R0.16 CC(C)C(C(=O)Br)Br TS27078 [0,0,0,0,1,0|2,0,0]=3 268 B7R0.16 CC(C)C(C(=O)O)Br TS14725 [0,0,0,0,1,0|1,0,0]=2 269 B7R0.16 CC(C)C(C(=O)O)O TS04712 [0,0,0,0,1,0|1,0,0]=2 270 B7R0.16 CC(C)C(C)C(=O)O TS32220 [0,0,0,0,1,0|1,0,0]=2 271 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41225 [0,0,0,0,1,0|1,0,0]=2 272 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41227 [0,0,0,0,1,0|1,0,0]=2 273 B7R0.16 CC(C)[C@@H](C(=O)O)Br TS08097 [0,0,0,0,1,0|1,0,0]=2 274 B7R0.16 CC(C)[C@@H](C(=O)O)Cl TS37075 [0,0,0,0,1,0|1,0,0]=2 275 B7R0.16 CC(C)[C@@H](C(=O)O)N TS94390 [0,0,0,0,1,0|0,0,0]=1 276 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [0,0,0,0,1,0|1,0,0]=2 277 B7R0.16 CC(C)[C@H](C(=O)O)Br TS14723 [0,0,0,0,1,0|1,0,0]=2 278 B7R0.16 CC(C)[C@H](C(=O)O)Cl TS37074 [0,0,0,0,1,0|1,0,0]=2 279 B7R0.16 CC(C)[C@H](C(=O)O)N TS59535 [0,0,0,0,1,0|0,0,0]=1 280 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)N TS51239 [0,0,0,0,1,0|1,0,0]=2 281 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O TS32386 [0,0,0,0,1,0|1,0,0]=2 282 B7R0.16 C[C@@H]([C@H](C(=O)O)N)N TS51241 [0,0,0,0,1,0|1,0,0]=2 283 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O TS39862 [0,0,0,0,1,0|1,0,0]=2 284 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O TS41461 [0,0,0,0,1,0|2,0,0]=3 285 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N TS51240 [0,0,0,0,1,0|1,0,0]=2 286 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O TS74521 [0,0,0,0,1,0|1,0,0]=2 287 B9R0.7 C(CC(=O)N)C(C(=O)O)N TS07181 [0,0,0,0,0,1|2,0,1]=4 288 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N TS74515 [0,0,0,0,0,1|2,0,1]=4 289 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N TS34574 [0,0,0,0,0,1|2,0,1]=4 290 B9R0.7 C(CC(=O)O)C(C(=O)O)N TS11984 [0,0,0,0,0,1|2,0,1]=4 291 B9R0.7 C(CC(=O)O)C(C(=O)O)N TS15184 [0,0,0,0,0,1|2,0,1]=4 292 B9R0.7 C(CC(=O)O)C(C(=O)O)N TS94015 [0,0,0,0,0,1|2,0,1]=4 293 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N TS15182 [0,0,0,0,0,1|2,0,1]=4 294 B9R0.7 C(CS(=O)O)[C@@H](C(=O)O)N TS12380 [0,0,0,0,0,1|3,0,0]=4 295 B9R0.7 C(CS(=O)O)[C@H](C(=O)O)N TS12381 [0,0,0,0,0,1|3,0,0]=4 296 B9R0.7 C([C@@H](C(=O)O)N)NC(=N)N TS48362 [0,0,0,0,0,1|2,0,1]=4 297 B9R0.7 C([C@@H](C(=O)O)N)NC(=O)N TS07297 [0,0,0,0,0,1|2,0,1]=4 298 B9R0.7 C([C@@H](C(=O)O)N)SC(=O)N TS42723 [0,0,0,0,0,1|2,0,1]=4 299 B9R0.7 CC(C(=O)O)ON=C(C)C TS07073 [0,0,0,0,0,1|2,0,1]=4 300 B9R0.7 CC(C)CCC(C(=O)O)N TS07102 [0,0,0,0,0,1|0,0,0]=1 301 B9R0.7 CS(=O)CCC(C(=O)O)N TS42911 [0,0,0,0,0,1|2,0,0]=3 302 B9R0.7 CS(=O)CCC(C(=O)O)N TS93808 [0,0,0,0,0,1|2,0,0]=3 303 B9R0.7 CS(=O)CC[C@@H](C(=O)O)N TS42914 [0,0,0,0,0,1|2,0,0]=3 304 B9R0.7 C[S+](C)CC[C@@H](C(=O)O)N TS61973 [0,0,0,0,0,1|1,0,0]=2 305 B9R0.53 C(C(CC(=O)O)N)C(=O)O TS40510 [0,0,0,0,0,1|2,0,1]=4 306 B9R0.53 CC(C)CC(=O)CC(=O)C TS06714 [0,0,0,0,0,1|2,0,1]=4 307 B9R0.53 CC(C)CC(C)CC(=O)C TS37641 [0,0,0,0,0,1|2,0,0]=3 308 B9R0.53 CC(C)C[C@@H](CC(=O)O)N TS40318 [0,0,0,0,0,1|0,0,0]=1 309 B9R0.53 CC(C)C[C@@H](CC(=O)O)N TS48165 [0,0,0,0,0,1|0,0,0]=1 310 B9R0.53 CC(C)OC(C)NC(=O)C TS40319 [0,0,0,0,0,1|3,0,0]=4 311 B6R0.1 C=CC(CCO)N TS31560 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.1 CCCC(=C)C=O TS31425 [2,0,0,0,0,0|1,0,1]=4 313 B6R0.1 CCCC(C)C=C TS03798 [2,0,0,0,0,0|2,0,0]=4 314 B6R0.1 CCCC(C)C=O TS01565 [2,0,0,0,0,0|1,0,0]=3 315 B6R0.1 CCCC(C)CO TS39282 [2,0,0,0,0,0|1,0,1]=4 316 B6R0.1 CCCC(C=C)O TS03859 [2,0,0,0,0,0|2,0,0]=4 317 B6R0.1 CCCC(CC)N TS31564 [2,0,0,0,0,0|1,0,1]=4 318 B6R0.1 CCCC(CO)O TS04026 [2,0,0,0,0,0|1,0,1]=4 319 B6R0.1 CCC[C@@H](CO)N TS04002 [2,0,0,0,0,0|0,0,1]=3 320 B6R0.1 CCC[C@@H](CO)O TS04042 [2,0,0,0,0,0|1,0,1]=4 321 B6R0.1 CCC[C@H](CO)N TS04000 [2,0,0,0,0,0|0,0,1]=3 322 B6R0.2 B(CC(C)C)(O)O TS01505 [2,0,0,0,0,0|2,0,0]=4 323 B6R0.2 CC(C)CC(=C)C TS31451 [2,0,0,0,0,0|1,0,1]=4 324 B6R0.2 CC(C)CC(=O)C TS31526 [2,0,0,0,0,0|1,0,1]=4 325 B6R0.2 CC(C)CC(=O)Cl TS32446 [2,0,0,0,0,0|1,0,1]=4 326 B6R0.2 CC(C)CC(=O)N TS31557 [2,0,0,0,0,0|0,0,1]=3 327 B6R0.2 CC(C)CC(=O)O TS03936 [2,0,0,0,0,0|1,0,1]=4 328 B6R0.2 CC(C)CC(=O)[O-] TS32589 [2,0,0,0,0,0|1,0,1]=4 329 B6R0.2 CC(C)CC(C)Br TS42854 [2,0,0,0,0,0|1,0,1]=4 330 B6R0.2 CC(C)CC(C)C TS03884 [2,0,0,0,0,0|1,0,1]=4 331 B6R0.2 CC(C)CC(C)Cl TS04844 [2,0,0,0,0,0|1,0,1]=4 332 B6R0.2 CC(C)CC(C)N TS31566 [2,0,0,0,0,0|0,0,1]=3 333 B6R0.2 CC(C)CC(C)N TS94386 [2,0,0,0,0,0|0,0,1]=3 334 B6R0.2 CC(C)CC(C)O TS31610 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.2 CC(C)NC(=O)N TS31602 [2,0,0,0,0,0|1,0,1]=4 336 B6R0.2 CC(C)OC(=O)N TS03993 [2,0,0,0,0,0|1,0,1]=4 337 B6R0.2 CC(CC(C)O)O TS04029 [2,0,0,0,0,0|2,0,0]=4 338 B6R0.2 CC(CN(C)C)O TS04008 [2,0,0,0,0,0|2,0,0]=4 339 B6R0.2 C[C@@H](CN(C)C)O TS04004 [2,0,0,0,0,0|2,0,0]=4 340 B6R0.2 C[C@@H](C[C@H](C)O)O TS04035 [2,0,0,0,0,0|2,0,0]=4 341 B6R0.2 C[C@H](C[C@@H](C)O)O TS04043 [2,0,0,0,0,0|2,0,0]=4 342 B6R0.4 B(CCCC)(O)O TS94589 [2,0,0,0,0,0|1,0,1]=4 343 B6R0.4 C#CCCC(=O)O TS03769 [2,0,0,0,0,0|0,0,2]=4 344 B6R0.4 C(CC(=O)Cl)CBr TS94813 [2,0,0,0,0,0|2,0,0]=4 345 B6R0.4 C(CC(=O)Cl)CCl TS33157 [2,0,0,0,0,0|2,0,0]=4 346 B6R0.4 C(CC(=O)N)CN TS37256 [2,0,0,0,0,0|2,0,0]=4 347 B6R0.4 C(CC(=O)O)C#N TS02729 [2,0,0,0,0,0|1,0,1]=4 348 B6R0.4 C(CC(=O)O)C=O TS31586 [2,0,0,0,0,0|1,0,1]=4 349 B6R0.4 C(CC(=O)O)CBr TS39744 [2,0,0,0,0,0|1,0,0]=3 350 B6R0.4 C(CC(=O)O)CI TS44433 [2,0,0,0,0,0|1,0,0]=3 351 B6R0.4 C(CC(=O)O)CN TS31643 [2,0,0,0,0,0|1,0,0]=3 352 B6R0.4 C(CC(=O)[O-])CO TS01692 [2,0,0,0,0,0|1,0,1]=4 353 B6R0.4 C=CCCC(=O)O TS31497 [2,0,0,0,0,0|0,0,2]=4 354 B6R0.4 CC(=O)CCCCl TS03260 [2,0,0,0,0,0|2,0,0]=4 355 B6R0.4 CC(=O)CCCO TS39779 [2,0,0,0,0,0|2,0,0]=4 356 B6R0.4 CC(=O)CCSC TS32359 [2,0,0,0,0,0|2,0,0]=4 357 B6R0.4 CC(C)C=CC=O TS31437 [2,0,0,0,0,0|0,0,2]=4 358 B6R0.4 CC(C)CCC#C TS03732 [2,0,0,0,0,0|1,0,1]=4 359 B6R0.4 CC(C)CCC=C TS03801 [2,0,0,0,0,0|1,0,0]=3 360 B6R0.4 CC(C)CCC=O TS39767 [2,0,0,0,0,0|0,0,0]=2 361 B6R0.4 CC(C)CCCBr TS42858 [2,0,0,0,0,0|1,0,1]=4 362 B6R0.4 CC(C)CCCO TS03963 [2,0,0,0,0,0|0,0,1]=3 363 B6R0.4 CC(C)CCNC TS03922 [2,0,0,0,0,0|2,0,0]=4 364 B6R0.4 CC(C)COC=C TS31530 [2,0,0,0,0,0|2,0,0]=4 365 B6R0.4 CC(C)COC=O TS03939 [2,0,0,0,0,0|1,0,0]=3 366 B6R0.4 CC(C)CON=O TS03992 [2,0,0,0,0,0|2,0,0]=4 367 B6R0.4 CC(C)NCCO TS04007 [2,0,0,0,0,0|1,0,1]=4 368 B6R0.4 CC(C)OCCO TS04040 [2,0,0,0,0,0|1,0,1]=4 369 B6R0.4 CC(C)SCC=C TS04640 [2,0,0,0,0,0|2,0,0]=4 370 B6R0.4 CC(C)SCCO TS32430 [2,0,0,0,0,0|1,0,1]=4 371 B6R0.4 CC(CCC=C)Br TS11654 [2,0,0,0,0,0|2,0,0]=4 372 B6R0.4 CC(CCC=C)O TS31524 [2,0,0,0,0,0|2,0,0]=4 373 B6R0.4 CC(CCCO)O TS04032 [2,0,0,0,0,0|1,0,1]=4 374 B6R0.4 CC=CCC(C)C TS03790 [2,0,0,0,0,0|1,0,1]=4 375 B6R0.4 CCC#CC(=O)O TS03759 [2,0,0,0,0,0|0,0,2]=4 376 B6R0.4 CCC=CC(=O)O TS03448 [2,0,0,0,0,0|0,0,2]=4 377 B6R0.4 CCC=CC(=O)O TS31503 [2,0,0,0,0,0|0,0,2]=4 378 B6R0.4 CCCCC(=C)C TS31452 [2,0,0,0,0,0|2,0,0]=4 379 B6R0.4 CCCCC(=O)Br TS42846 [2,0,0,0,0,0|1,0,0]=3 380 B6R0.4 CCCCC(=O)C TS31529 [2,0,0,0,0,0|1,0,0]=3 381 B6R0.4 CCCCC(=O)Cl TS32451 [2,0,0,0,0,0|1,0,0]=3 382 B6R0.4 CCCCC(=O)N TS31554 [2,0,0,0,0,0|1,0,0]=3 383 B6R0.4 CCCCC(=O)O TS03958 [2,0,0,0,0,0|0,0,0]=2 384 B6R0.4 CCCCC(=O)[O-] TS04789 [2,0,0,0,0,0|0,0,1]=3 385 B6R0.4 CCCCC(=O)[O-] TS30457 [2,0,0,0,0,0|0,0,1]=3 386 B6R0.4 CCCCC(C)C TS03881 [2,0,0,0,0,0|1,0,1]=4 387 B6R0.4 CCCCC(C)O TS31617 [2,0,0,0,0,0|1,0,1]=4 388 B6R0.4 CCCC[C@@H](C)O TS03965 [2,0,0,0,0,0|1,0,1]=4 389 B6R0.4 CCCC[C@H](C)O TS31613 [2,0,0,0,0,0|1,0,1]=4 390 B6R0.4 CCCC[N+](=O)[O-] TS31647 [2,0,0,0,0,0|1,0,1]=4 391 B6R0.4 CCCC[Sn](=O)O TS43570 [2,0,0,0,0,0|1,0,0]=3 392 B6R0.4 CCCNC(=O)N TS31594 [2,0,0,0,0,0|2,0,0]=4 393 B6R0.4 CCCNC(=O)[O-] TS31634 [2,0,0,0,0,0|1,0,1]=4 394 B6R0.4 CCCOC(=O)C TS03949 [2,0,0,0,0,0|2,0,0]=4 395 B6R0.4 CCCOC(=O)Cl TS55808 [2,0,0,0,0,0|2,0,0]=4 396 B6R0.4 CCCSC(=O)C TS32364 [2,0,0,0,0,0|2,0,0]=4 397 B6R0.4 CCCSC(=O)Cl TS06329 [2,0,0,0,0,0|2,0,0]=4 398 B6R0.4 CCNCC(=O)O TS01936 [2,0,0,0,0,0|1,0,0]=3 399 B6R0.4 CCOCC(=O)O TS16814 [2,0,0,0,0,0|1,0,0]=3 400 B6R0.4 CCSCC(=O)C TS32360 [2,0,0,0,0,0|2,0,0]=4 401 B6R0.4 CCSCC(=O)O TS04822 [2,0,0,0,0,0|1,0,0]=3 402 B6R0.4 CN(C)CCCO TS03999 [2,0,0,0,0,0|1,0,1]=4 403 B6R0.4 CNCCC(=O)O TS03990 [2,0,0,0,0,0|1,0,0]=3 404 B6R0.4 COCCC(=O)O TS31660 [2,0,0,0,0,0|1,0,0]=3 405 B6R0.4 C[C@@H](CCC=C)O TS03860 [2,0,0,0,0,0|2,0,0]=4 406 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [2,0,0,0,0,0|2,0,0]=4 407 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [2,0,0,0,0,0|2,0,0]=4 408 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [2,0,0,0,0,0|1,0,0]=3 409 B6R0.3 C(C(C(=O)O)N)F TS31750 [2,0,0,0,0,0|1,0,0]=3 410 B6R0.3 C(C(C(=O)O)N)N TS15412 [2,0,0,0,0,0|1,0,0]=3 411 B6R0.3 C(C(C(=O)O)N)N TS55876 [2,0,0,0,0,0|1,0,0]=3 412 B6R0.3 C(C(C(=O)O)N)O TS04070 [2,0,0,0,0,0|1,0,0]=3 413 B6R0.3 C(C(C(=O)O)N)O TS93662 [2,0,0,0,0,0|1,0,0]=3 414 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [2,0,0,0,0,0|2,0,0]=4 415 B6R0.3 C(C(C(=O)O)O)N TS55880 [2,0,0,0,0,0|2,0,0]=4 416 B6R0.3 C(C(C(=O)O)O)O TS31726 [2,0,0,0,0,0|2,0,0]=4 417 B6R0.3 C([C@@H](C(=O)N)N)O TS37447 [2,0,0,0,0,0|2,0,0]=4 418 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [2,0,0,0,0,0|2,0,0]=4 419 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [2,0,0,0,0,0|1,0,0]=3 420 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [2,0,0,0,0,0|1,0,0]=3 421 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [2,0,0,0,0,0|1,0,0]=3 422 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [2,0,0,0,0,0|1,0,0]=3 423 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [2,0,0,0,0,0|1,0,0]=3 424 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [2,0,0,0,0,0|2,0,0]=4 425 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [2,0,0,0,0,0|2,0,0]=4 426 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [2,0,0,0,0,0|1,0,0]=3 427 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [2,0,0,0,0,0|1,0,0]=3 428 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [2,0,0,0,0,0|1,0,0]=3 429 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [2,0,0,0,0,0|1,0,0]=3 430 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [2,0,0,0,0,0|1,0,0]=3 431 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [2,0,0,0,0,0|2,0,0]=4 432 B6R0.3 C=CC(C(=O)O)N TS07917 [2,0,0,0,0,0|0,0,2]=4 433 B6R0.3 C=C[C@@H](C(=O)O)N TS31547 [2,0,0,0,0,0|0,0,2]=4 434 B6R0.3 C=C[C@H](C(=O)O)N TS31536 [2,0,0,0,0,0|0,0,2]=4 435 B6R0.3 CC(C(=O)O)NC TS31640 [2,0,0,0,0,0|2,0,0]=4 436 B6R0.3 CC(CN)C(=O)O TS04859 [2,0,0,0,0,0|2,0,0]=4 437 B6R0.3 CC(CN)C(=O)O TS31641 [2,0,0,0,0,0|2,0,0]=4 438 B6R0.3 CC(CS)C(=O)O TS04823 [2,0,0,0,0,0|2,0,0]=4 439 B6R0.3 CCC(=O)C(=O)O TS31578 [2,0,0,0,0,0|1,0,1]=4 440 B6R0.3 CCC(C(=O)Br)Br TS52915 [2,0,0,0,0,0|2,0,0]=4 441 B6R0.3 CCC(C(=O)C)S TS32355 [2,0,0,0,0,0|2,0,0]=4 442 B6R0.3 CCC(C(=O)Cl)Br TS48787 [2,0,0,0,0,0|2,0,0]=4 443 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [2,0,0,0,0,0|2,0,0]=4 444 B6R0.3 CCC(C(=O)N)Cl TS04875 [2,0,0,0,0,0|2,0,0]=4 445 B6R0.3 CCC(C(=O)N)N TS93870 [2,0,0,0,0,0|1,0,0]=3 446 B6R0.3 CCC(C(=O)N)N TS94086 [2,0,0,0,0,0|1,0,0]=3 447 B6R0.3 CCC(C(=O)O)Br TS12329 [2,0,0,0,0,0|1,0,0]=3 448 B6R0.3 CCC(C(=O)O)Cl TS04940 [2,0,0,0,0,0|1,0,0]=3 449 B6R0.3 CCC(C(=O)O)N TS45781 [2,0,0,0,0,0|0,0,0]=2 450 B6R0.3 CCC(C(=O)O)N TS47470 [2,0,0,0,0,0|0,0,0]=2 451 B6R0.3 CCC(C(=O)O)O TS31670 [2,0,0,0,0,0|1,0,0]=3 452 B6R0.3 CCC(C(=O)[O-])O TS05131 [2,0,0,0,0,0|1,0,1]=4 453 B6R0.3 CCC(C)C(=O)C TS31518 [2,0,0,0,0,0|2,0,0]=4 454 B6R0.3 CCC(C)C(=O)Cl TS04836 [2,0,0,0,0,0|2,0,0]=4 455 B6R0.3 CCC(C)C(=O)O TS03945 [2,0,0,0,0,0|1,0,0]=3 456 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [2,0,0,0,0,0|1,0,0]=3 457 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [2,0,0,0,0,0|0,0,0]=2 458 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [2,0,0,0,0,0|1,0,0]=3 459 B6R0.3 CC[C@H](C(=O)N)N TS93011 [2,0,0,0,0,0|1,0,0]=3 460 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [2,0,0,0,0,0|1,0,0]=3 461 B6R0.3 CC[C@H](C(=O)O)N TS64880 [2,0,0,0,0,0|0,0,0]=2 462 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [2,0,0,0,0,0|2,0,0]=4 463 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [2,0,0,0,0,0|2,0,0]=4 464 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [2,0,0,0,0,0|2,0,0]=4 465 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [2,0,0,0,0,0|2,0,0]=4 466 B6R0.3 C[C@H](CO)C(=O)O TS31672 [2,0,0,0,0,0|2,0,0]=4 467 B8R0.2 C[C@@H]([C@@H]([C@H](C=O)O)O)O TS05875 [1,1,0,0,0,0|2,0,0]=4 468 B8R0.2 C[C@H]([C@H]([C@@H](C=O)O)O)O TS05872 [1,1,0,0,0,0|2,0,0]=4 469 B8R0.2 C[C@H]([C@H]([C@H](C=O)O)O)O TS03289 [1,1,0,0,0,0|2,0,0]=4 470 B8R0.24 CC(CC(C)(C)C)CO TS05588 [1,1,0,0,0,0|1,0,1]=4 471 B8R0.34 CC(C)(CN(C)C)C=O TS36428 [1,1,0,0,0,0|2,0,0]=4 472 B8R0.34 CC(C)CC(C)(C)CO TS36548 [1,1,0,0,0,0|1,0,1]=4 473 B8R0.3 CC(CCCl)C(=O)OC TS09965 [1,1,0,0,0,0|2,0,0]=4 474 B8R0.3 CC(CCN)C(=O)CO TS36604 [1,1,0,0,0,0|2,0,0]=4 475 B8R0.3 CCCC(C(=NO)O)N TS36674 [1,1,0,0,0,0|0,0,1]=3 476 B8R0.3 CCCC(C(=O)OC)Br TS93475 [1,1,0,0,0,0|1,0,0]=3 477 B8R0.3 CCCC(C)C(=O)OC TS05547 [1,1,0,0,0,0|1,0,0]=3 478 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [1,1,0,0,0,0|0,0,0]=2 479 B8R0.3 COC(=O)C(CCBr)Br TS68328 [1,1,0,0,0,0|2,0,0]=4 480 B8R0.3 COC(=O)[C@H](CC#C)N TS11767 [1,1,0,0,0,0|0,0,2]=4 481 B8R0.3 COCC(C(=O)OC)Br TS53797 [1,1,0,0,0,0|2,0,0]=4 482 B8R0.8 C(CC(C(=O)O)N)CN TS12622 [1,1,0,0,0,0|0,0,0]=2 483 B8R0.8 C(CC(C(=O)O)N)CN TS21454 [1,1,0,0,0,0|0,0,0]=2 484 B8R0.8 C(CC(C(=O)O)N)CN TS38757 [1,1,0,0,0,0|0,0,0]=2 485 B8R0.8 C(CON)C(C(=O)O)N TS39138 [1,1,0,0,0,0|1,0,0]=3 486 B8R0.8 C(CON)[C@@H](C(=O)O)N TS36804 [1,1,0,0,0,0|1,0,0]=3 487 B8R0.8 C(CON)[C@H](C(=O)O)N TS36805 [1,1,0,0,0,0|1,0,0]=3 488 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS07674 [1,1,0,0,0,0|0,0,0]=2 489 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS36671 [1,1,0,0,0,0|0,0,0]=2 490 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS51453 [1,1,0,0,0,0|0,0,0]=2 491 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS74512 [1,1,0,0,0,0|0,0,0]=2 492 B8R0.8 C(C[C@H](C(=O)O)N)CN TS12623 [1,1,0,0,0,0|0,0,0]=2 493 B8R0.8 CCCC=C(C)C(=O)O TS36301 [1,1,0,0,0,0|1,0,1]=4 494 B8R0.8 CCCCC(C(=O)Br)Br TS68068 [1,1,0,0,0,0|2,0,0]=4 495 B8R0.8 CCCCC(C(=O)Cl)Br TS21557 [1,1,0,0,0,0|2,0,0]=4 496 B8R0.8 CCCCC(C(=O)N)N TS43162 [1,1,0,0,0,0|1,0,0]=3 497 B8R0.8 CCCCC(C(=O)O)Br TS51947 [1,1,0,0,0,0|1,0,0]=3 498 B8R0.8 CCCCC(C(=O)O)N TS05663 [1,1,0,0,0,0|0,0,0]=2 499 B8R0.8 CCCCC(C(=O)O)O TS05717 [1,1,0,0,0,0|1,0,0]=3 500 B8R0.8 CCCCC(C)C(=O)C TS05385 [1,1,0,0,0,0|2,0,0]=4 501 B8R0.8 CCCCC(C)C(=O)Cl TS07516 [1,1,0,0,0,0|2,0,0]=4 502 B8R0.8 CCCCC(C)C(=O)O TS05567 [1,1,0,0,0,0|1,0,0]=3 503 B8R0.8 CCCC[C@@H](C(=O)N)N TS43160 [1,1,0,0,0,0|1,0,0]=3 504 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [1,1,0,0,0,0|0,0,0]=2 505 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [1,1,0,0,0,0|0,0,0]=2 506 B8R0.8 CCSC[C@@H](C(=O)O)N TS07588 [1,1,0,0,0,0|0,0,0]=2 507 B8R0.8 CSCCC(C(=O)O)N TS37819 [1,1,0,0,0,0|0,0,0]=2 508 B8R0.8 CSCCC(C(=O)O)N TS61974 [1,1,0,0,0,0|0,0,0]=2 509 B8R0.8 CSCCC(C(=O)O)O TS65052 [1,1,0,0,0,0|1,0,0]=3 510 B8R0.8 CSCCC(C(=O)[O-])O TS78392 [1,1,0,0,0,0|1,0,1]=4 511 B8R0.8 CSCC[C@@H](C(=O)N)N TS07498 [1,1,0,0,0,0|1,0,0]=3 512 B8R0.8 CSCC[C@@H](C(=O)N)N TS15401 [1,1,0,0,0,0|1,0,0]=3 513 B8R0.8 CSCC[C@@H](C(=O)O)N TS07583 [1,1,0,0,0,0|0,0,0]=2 514 B8R0.8 CSCC[C@@H](C(=O)O)N TS09902 [1,1,0,0,0,0|0,0,0]=2 515 B8R0.8 CSCC[C@@H](C(=O)O)N TS35372 [1,1,0,0,0,0|0,0,0]=2 516 B8R0.8 CSCC[C@@H](C(=O)O)N TS93972 [1,1,0,0,0,0|0,0,0]=2 517 B8R0.8 CSCC[C@H](C(=O)[O-])N TS12996 [1,1,0,0,0,0|0,0,1]=3 518 B8R0.8 C[Se]CCC(C(=O)O)N TS53596 [1,1,0,0,0,0|0,0,0]=2 519 B8R0.8 C[Se]CCC(C(=O)O)N TS93321 [1,1,0,0,0,0|0,0,0]=2 520 B8R0.8 C[Se]CC[C@@H](C(=O)O)N TS64910 [1,1,0,0,0,0|0,0,0]=2 521 B8R0.12 CC(C)(CCN)C(=O)O TS08864 [1,1,0,0,0,0|2,0,0]=4 522 B8R0.12 CCCC(C)(C(=O)O)N TS36607 [1,1,0,0,0,0|0,0,0]=2 523 B8R0.12 CCCC(C)(C)C(=O)Cl TS07514 [1,1,0,0,0,0|2,0,0]=4 524 B8R0.12 CCC[C@](C)(C(=O)O)N TS05655 [1,1,0,0,0,0|0,0,0]=2 525 B8R0.12 COCC(C(=O)O)(F)F TS92673 [1,1,0,0,0,0|2,0,0]=4 526 B8R0.12 C[C@@](CC=C)(C(=O)O)N TS36398 [1,1,0,0,0,0|0,0,2]=4 527 B8R0.12 C[C@](CC=C)(C(=O)O)N TS05452 [1,1,0,0,0,0|0,0,2]=4 528 B8R0.14 CCCC(N)P(=O)(O)O TS10282 [1,1,0,0,0,0|1,0,0]=3 529 B8R0.15 CCC[C@@H](C(=O)O)NC TS36587 [1,1,0,0,0,0|0,0,0]=2 530 B8R0.15 CCC[C@@H](CO)C(=O)O TS36660 [1,1,0,0,0,0|1,0,0]=3 531 B8R0.9 C(CC(=O)O)C(=O)CN TS43267 [1,1,0,0,0,0|1,0,1]=4 532 B8R0.9 C(CC(=O)O)C(=O)CN TS71377 [1,1,0,0,0,0|1,0,1]=4 533 B8R0.9 CC(=NO)CCC(=O)O TS05643 [1,1,0,0,0,0|1,0,1]=4 534 B8R0.9 CC(=O)CCC(=O)OC TS05537 [1,1,0,0,0,0|1,0,1]=4 535 B8R0.9 CC(C)C=CC(=O)OC TS36289 [1,1,0,0,0,0|0,0,2]=4 536 B8R0.9 CC(C)CCC(=NO)C TS36423 [1,1,0,0,0,0|1,0,0]=3 537 B8R0.9 CC(C)CCC(=O)OC TS36500 [1,1,0,0,0,0|0,0,0]=2 538 B8R0.9 CC(C)COC(=O)C=C TS05334 [1,1,0,0,0,0|2,0,0]=4 539 B8R0.9 CCC(=O)CCC(C)C TS05386 [1,1,0,0,0,0|1,0,0]=3 540 B8R0.9 CCC(=O)OCC(C)C TS05543 [1,1,0,0,0,0|2,0,0]=4 541 B8R0.9 CCC(C)CCC(=O)C TS05381 [1,1,0,0,0,0|1,0,0]=3 542 B8R0.9 CCC(C)CCC(=O)O TS36505 [1,1,0,0,0,0|0,0,0]=2 543 B8R0.9 CCC(C)CCC(C)O TS36529 [1,1,0,0,0,0|1,0,1]=4 544 B8R0.9 CCC(C)COC(=O)C TS01135 [1,1,0,0,0,0|2,0,0]=4 545 B8R0.9 CCC(CCC(C)C)O TS05596 [1,1,0,0,0,0|1,0,1]=4 546 B8R0.9 CN(C)CCC(=NO)N TS05677 [1,1,0,0,0,0|2,0,0]=4 547 B8R0.9 CN(C)CCC(=O)OC TS36601 [1,1,0,0,0,0|1,0,0]=3 548 B8R0.9 CN(CCC(=O)O)N=O TS36639 [1,1,0,0,0,0|2,0,0]=4 549 B8R0.9 CNC(=O)CCC(=O)O TS05642 [1,1,0,0,0,0|1,0,1]=4 550 B8R0.9 C[C@H](CC[N+](=O)[O-])CO TS05813 [1,1,0,0,0,0|1,0,1]=4 551 B8R0.29 C(CC(Cl)(Cl)Cl)C(=O)O TS17363 [1,1,0,0,0,0|2,0,0]=4 552 B8R0.29 C(CC(F)(F)Br)C(=O)O TS38364 [1,1,0,0,0,0|2,0,0]=4 553 B8R0.29 C(CC(F)(F)F)C(=O)O TS09547 [1,1,0,0,0,0|2,0,0]=4 554 B8R0.29 CC(C)(C)CCC(=O)O TS36497 [1,1,0,0,0,0|0,0,0]=2 555 B8R0.29 CC(C)(C)NCC(=O)O TS65250 [1,1,0,0,0,0|1,0,0]=3 556 B8R0.29 CC(C)(C)NCC(=O)[O-] TS65251 [1,1,0,0,0,0|1,0,1]=4 557 B8R0.29 CC(C)(C)OCC(=O)O TS36657 [1,1,0,0,0,0|1,0,0]=3 558 B8R0.29 CC(C)(CNC(=O)N)N TS05676 [1,1,0,0,0,0|2,0,0]=4 559 B8R0.29 CC(C)CCC(C)(C)O TS05600 [1,1,0,0,0,0|1,0,1]=4 560 B8R0.29 CC(C)COP(=O)(C)O TS41098 [1,1,0,0,0,0|2,0,0]=4 561 B8R0.29 C[Si](C)(C)CCC(=O)O TS40471 [1,1,0,0,0,0|0,1,0]=3 562 B8R0.29 C[Si](C)(C)CCC(=O)[O-] TS12576 [1,1,0,0,0,0|0,1,1]=4 563 B8R0.18 CC(C)C(C(=O)O)NC TS43283 [0,1,0,0,1,0|0,0,0]=2 564 B8R0.18 CC(C)[C@@H](C(=O)[O-])N=O TS06219 [0,1,0,0,1,0|0,0,2]=4 565 B8R0.18 C[C@H]([C@@H](C(=O)O)NC)O TS36744 [0,1,0,0,1,0|1,0,0]=3 566 B8R0.27 C(C(=O)O)(C(F)(F)F)N TS06823 [0,1,0,0,1,0|2,0,0]=4 567 B8R0.27 C(C(=O)O)(C(F)(F)F)N TS47789 [0,1,0,0,1,0|2,0,0]=4 568 B8R0.27 CC(C(=O)O)C(C)(C)C TS05541 [0,1,0,0,1,0|1,0,0]=3 569 B8R0.27 CC(C)(C(C(=O)O)N)F TS05984 [0,1,0,0,1,0|0,0,0]=2 570 B8R0.27 CC(C)(C(C(=O)O)N)O TS05818 [0,1,0,0,1,0|0,0,0]=2 571 B8R0.27 CC(C)(C(C(=O)O)N)S TS07587 [0,1,0,0,1,0|0,0,0]=2 572 B8R0.27 CC(C)(C)C(=O)C(=O)O TS05518 [0,1,0,0,1,0|1,0,1]=4 573 B8R0.27 CC(C)(C)C(C(=O)O)N TS36606 [0,1,0,0,1,0|0,0,0]=2 574 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TS12451 [0,1,0,0,1,0|0,0,0]=2 575 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TS56213 [0,1,0,0,1,0|0,0,0]=2 576 B8R0.27 CC(C)(C)[C@@H](C(=O)O)O TS08012 [0,1,0,0,1,0|1,0,0]=3 577 B8R0.27 CC(C)(C)[C@H](C(=O)O)O TS08088 [0,1,0,0,1,0|1,0,0]=3 578 B8R0.27 CC(C)([C@@H](C(=O)O)N)O TS08122 [0,1,0,0,1,0|0,0,0]=2 579 B8R0.27 CC(C)([C@@H](C(=O)O)N)S TS07586 [0,1,0,0,1,0|0,0,0]=2 580 B8R0.27 CC(C)([C@H](C(=O)O)N)O TS46604 [0,1,0,0,1,0|0,0,0]=2 581 B8R0.27 CC(C)([C@H](C(=O)O)N)S TS15540 [0,1,0,0,1,0|0,0,0]=2 582 B8R0.27 CC(C)([C@H](C(=O)O)N)S TS59992 [0,1,0,0,1,0|0,0,0]=2 583 B8R0.27 CC(C)C(N)P(=O)(O)O TS10284 [0,1,0,0,1,0|1,0,0]=3 584 B8R0.37 CC(C)C(C)(C(=O)N)N TS47346 [0,1,0,0,1,0|1,0,0]=3 585 B8R0.37 CC(C)C(C)(C(=O)O)N TS36603 [0,1,0,0,1,0|0,0,0]=2 586 B8R0.37 CC(C)[C@@](C)(C(=O)O)N TS08011 [0,1,0,0,1,0|0,0,0]=2 587 B8R0.37 CC(C)[C@](C)(C(=O)N)N TS36527 [0,1,0,0,1,0|1,0,0]=3 588 B10R0.13 C[C@H]([C@@H](C(=O)O)N)OC(=O)C TS42275 [0,1,0,0,0,1|1,0,1]=4 589 B10R0.13 C[C@H]([C@@H](C(=O)O)N)OC(=O)C TS53912 [0,1,0,0,0,1|1,0,1]=4 590 B10R0.82 C(CC(C(=O)O)N)C(CN)F TS19122 [0,1,0,0,0,1|1,0,0]=3 591 B10R0.82 C(CC(C(=O)O)N)C(CN)O TS54122 [0,1,0,0,0,1|1,0,0]=3 592 B10R0.82 C(C[C@@H](C(=O)O)N)[C@H](CN)O TS11550 [0,1,0,0,0,1|1,0,0]=3 593 B10R0.82 CCS(=O)CCC(C(=O)O)N TS47765 [0,1,0,0,0,1|2,0,0]=4 594 B10R0.82 COC(=O)CCC(C(=O)O)N TS42274 [0,1,0,0,0,1|1,0,1]=4 595 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N TS42268 [0,1,0,0,0,1|1,0,1]=4 596 B10R0.82 COC(=O)CC[C@H](C(=O)O)N TS42269 [0,1,0,0,0,1|1,0,1]=4 597 B10R0.92 C(CC(F)(F)F)[C@@H](C(=O)O)N TS45265 [0,1,0,0,0,1|2,0,0]=4 598 B10R0.92 CC(C)(C)OC[C@@H](C(=O)O)N TS08539 [0,1,0,0,0,1|0,0,0]=2 599 B10R0.92 CC(C)(C)OC[C@H](C(=O)N)N TS46609 [0,1,0,0,0,1|1,0,0]=3 600 B10R0.92 CC(C)(C)OC[C@H](C(=O)O)N TS11396 [0,1,0,0,0,1|0,0,0]=2 601 B10R0.92 CC(C)(C)SC[C@@H](C(=O)O)N TS14084 [0,1,0,0,0,1|0,0,0]=2 602 B10R0.92 CC(C)(C)SC[C@@H](C(=O)O)N TS44424 [0,1,0,0,0,1|0,0,0]=2 603 B10R0.92 CC(C)(C)SC[C@H](C(=O)O)N TS14082 [0,1,0,0,0,1|0,0,0]=2 604 B10R0.92 CC(C)(C)SC[C@H](C(=O)O)N TS44423 [0,1,0,0,0,1|0,0,0]=2 605 B10R0.92 CP(=O)(CCC(C(=O)O)N)O TS18578 [0,1,0,0,0,1|2,0,0]=4 606 B10R0.92 CS(=N)(=O)CCC(C(=O)O)N TS14633 [0,1,0,0,0,1|2,0,0]=4 607 B10R0.92 CS(=N)(=O)CC[C@@H](C(=O)O)N TS14632 [0,1,0,0,0,1|2,0,0]=4 608 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N TS14791 [0,1,0,0,0,1|2,0,0]=4 609 B10R0.92 CS(=O)(=O)CC[C@@H](C(=O)O)N TS14792 [0,1,0,0,0,1|2,0,0]=4 610 B10R0.92 CS(=O)(=O)CC[C@H](C(=O)O)N TS14790 [0,1,0,0,0,1|2,0,0]=4 611 B10R0.31 CC(C)(C)CC(CC(=O)O)N TS11173 [0,1,0,0,0,1|0,0,0]=2 612 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C TS46203 [0,1,0,0,0,1|2,0,0]=4 613 B10R0.31 CC(CC(=O)O)CC(C)(C)C TS41942 [0,1,0,0,0,1|1,0,0]=3 614 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O TS59532 [0,1,0,0,0,1|2,0,0]=4 615 B10R0.44 CC(C)CC(=O)CC(=O)OC TS41899 [0,1,0,0,0,1|1,0,1]=4 616 B10R0.70 CC(C)C[C@@H](CC(=O)O)CN TS94511 [0,1,0,0,0,1|0,0,0]=2 617 B10R0.14 CC(C)CC(C)(N)P(=O)(O)O TS37711 [0,2,0,0,0,0|1,0,0]=3 618 B10R0.154 CC(C(C(=O)O)N)C(F)(F)F TS45262 [0,2,0,0,0,0|2,0,0]=4 619 B10R0.32 CCOC(=O)[C@@H](CC(C)C)N TS53581 [0,2,0,0,0,0|0,0,0]=2 620 B10R0.46 COC(=O)C[C@@H](C(=O)OC)N TS77145 [0,2,0,0,0,0|1,0,1]=4 621 B10R0.46 COC(=O)C[C@H](C(=O)OC)N TS16797 [0,2,0,0,0,0|1,0,1]=4 622 B10R0.56 C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O TS12132 [0,2,0,0,0,0|2,0,0]=4 623 B10R0.23 CC(C)C[C@@H](C(=O)O)NC=O TS42020 [0,2,0,0,0,0|0,0,0]=2 624 B10R0.26 C=CCS(=O)C[C@@H](C(=O)O)N TS46287 [0,2,0,0,0,0|2,0,0]=4 625 B10R0.26 CCCC(C)CC(C)C(=O)C TS41688 [0,2,0,0,0,0|2,0,0]=4 626 B8R1.18 CC1CC(C(=O)O1)Br TS47655 [1,0,0,1,0,0|2,0,0]=4 627 B8R1.53 CC1(CC(O1)CO)C TS87234 [1,0,0,1,0,0|1,0,1]=4 628 B8R1.62 C1C(CC1(CO)N)F TS92734 [1,0,0,1,0,0|1,0,1]=4 629 B8R1.5 C1CC(C(=O)NC1)N TS39701 [1,0,0,1,0,0|1,0,0]=3 630 B8R1.5 C1CC(C(=O)NC1)O TS02789 [1,0,0,1,0,0|2,0,0]=4 631 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [1,0,0,1,0,0|2,0,0]=4 632 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [1,0,0,1,0,0|2,0,0]=4 633 B8R1.5 C1CCC(=O)C(C1)O TS32072 [1,0,0,1,0,0|2,0,0]=4 634 B8R1.5 C1CCN(C(=O)C1)N TS32084 [1,0,0,1,0,0|2,0,0]=4 635 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS10097 [1,0,0,1,0,0|1,0,1]=4 636 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS32157 [1,0,0,1,0,0|1,0,1]=4 637 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS22861 [1,0,0,1,0,0|1,0,1]=4 638 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS41076 [1,0,0,1,0,0|1,0,1]=4 639 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS46605 [1,0,0,1,0,0|1,0,1]=4 640 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS94619 [1,0,0,1,0,0|1,0,1]=4 641 B8R1.5 C1CC[C@H]([C@H](C1)N)O TS29487 [1,0,0,1,0,0|1,0,1]=4 642 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [1,0,0,1,0,0|1,0,0]=3 643 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [1,0,0,1,0,0|1,0,0]=3 644 B8R1.5 CC1CCCCC1=O TS01136 [1,0,0,1,0,0|2,0,0]=4 645 B8R1.7 C1C(NCS1)C(=O)O TS05827 [1,0,0,1,0,0|1,0,0]=3 646 B8R1.7 C1C=CC(N1)C(=O)O TS39629 [1,0,0,1,0,0|0,0,2]=4 647 B8R1.7 C1CC(NC1)C(=O)N TS39860 [1,0,0,1,0,0|1,0,0]=3 648 B8R1.7 C1CC(NC1)C(=O)O TS04527 [1,0,0,1,0,0|0,0,0]=2 649 B8R1.7 C1CC(OC1)C(=O)O TS65650 [1,0,0,1,0,0|1,0,0]=3 650 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [1,0,0,1,0,0|1,0,1]=4 651 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [1,0,0,1,0,0|2,0,0]=4 652 B8R1.7 C1CCC(C1)C(=O)N TS04395 [1,0,0,1,0,0|2,0,0]=4 653 B8R1.7 C1CCC(C1)C(=O)O TS55824 [1,0,0,1,0,0|1,0,0]=3 654 B8R1.7 C1CNCC1C(=O)O TS22734 [1,0,0,1,0,0|2,0,0]=4 655 B8R1.7 C1CNC[C@@H]1C(=O)O TS04526 [1,0,0,1,0,0|2,0,0]=4 656 B8R1.7 C1CNC[C@H]1C(=O)O TS85658 [1,0,0,1,0,0|2,0,0]=4 657 B8R1.7 C1COCC1C(=O)O TS59430 [1,0,0,1,0,0|2,0,0]=4 658 B8R1.7 C1COC[C@@H]1C(=O)O TS08087 [1,0,0,1,0,0|2,0,0]=4 659 B8R1.7 C1COC[C@H]1C(=O)O TS32191 [1,0,0,1,0,0|2,0,0]=4 660 B8R1.7 C1CSC(N1)C(=O)O TS05828 [1,0,0,1,0,0|1,0,0]=3 661 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [1,0,0,1,0,0|1,0,0]=3 662 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [1,0,0,1,0,0|1,0,0]=3 663 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [1,0,0,1,0,0|0,0,0]=2 664 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [1,0,0,1,0,0|0,0,0]=2 665 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [1,0,0,1,0,0|1,0,0]=3 666 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [1,0,0,1,0,0|1,0,0]=3 667 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [1,0,0,1,0,0|1,0,0]=3 668 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [1,0,0,1,0,0|0,0,0]=2 669 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [1,0,0,1,0,0|1,0,0]=3 670 B8R1.7 C1[C@@H](NCS1)C(=O)O TS05829 [1,0,0,1,0,0|1,0,0]=3 671 B8R1.7 CC(=O)C1CCCC1 TS46943 [1,0,0,1,0,0|2,0,0]=4 672 B8R1.7 CC(=O)C1CCCC1 TS52586 [1,0,0,1,0,0|2,0,0]=4 673 B8R1.23 C1C(CC1Cl)C(=O)O TS05939 [1,0,0,1,0,0|2,0,0]=4 674 B8R1.23 C1C(CC1F)C(=O)O TS88107 [1,0,0,1,0,0|2,0,0]=4 675 B8R1.23 C1C(CC1O)C(=O)O TS89594 [1,0,0,1,0,0|2,0,0]=4 676 B8R1.23 C1C(NC1=O)C(=O)O TS04513 [1,0,0,1,0,0|1,0,1]=4 677 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N TS01385 [1,0,0,1,0,0|2,0,0]=4 678 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N TS89298 [1,0,0,1,0,0|2,0,0]=4 679 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O TS91710 [1,0,0,1,0,0|2,0,0]=4 680 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N TS59457 [1,0,0,1,0,0|2,0,0]=4 681 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N TS90983 [1,0,0,1,0,0|2,0,0]=4 682 B8R1.23 C1[C@@H](NC1=O)C(=O)O TS89740 [1,0,0,1,0,0|1,0,1]=4 683 B8R1.23 C1[C@H](NC1=O)C(=O)O TS32146 [1,0,0,1,0,0|1,0,1]=4 684 B8R1.23 CC1CC(C1)C(=O)O TS88279 [1,0,0,1,0,0|1,0,0]=3 685 B8R1.23 CN1CC(C1)C(=O)O TS89334 [1,0,0,1,0,0|2,0,0]=4 686 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O TS89006 [1,0,0,1,0,0|1,0,0]=3 687 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O TS89005 [1,0,0,1,0,0|1,0,0]=3 688 B8R1.54 C1CC1C(C(=O)O)N TS04522 [1,0,0,1,0,0|0,0,0]=2 689 B8R1.54 C1CC1[C@@H](C(=O)O)N TS01520 [1,0,0,1,0,0|0,0,0]=2 690 B8R1.54 C1CC1[C@H](C(=O)O)N TS04532 [1,0,0,1,0,0|0,0,0]=2 691 B8R1.78 C1C(CN1)(C(=O)O)F TS92466 [1,0,0,1,0,0|2,0,0]=4 692 B8R1.78 C1C(CN1)(C(=O)O)N TS86770 [1,0,0,1,0,0|1,0,0]=3 693 B8R1.78 C1C(CO1)(C(=O)O)N TS88650 [1,0,0,1,0,0|1,0,0]=3 694 B8R1.78 C1C(CS1)(C(=O)O)N TS87825 [1,0,0,1,0,0|1,0,0]=3 695 B8R1.78 C1CC(C1)(C(=O)O)N TS91061 [1,0,0,1,0,0|0,0,0]=2 696 B8R1.78 C1CC(C1)(C(=O)O)N TS93561 [1,0,0,1,0,0|0,0,0]=2 697 B8R1.78 C1CC(C1)(C(=O)O)N TS93562 [1,0,0,1,0,0|0,0,0]=2 698 B8R1.78 CC1(CCC1)C(=O)O TS85793 [1,0,0,1,0,0|1,0,0]=3 699 B8R1.78 CC1(COC1)C(=O)O TS32182 [1,0,0,1,0,0|2,0,0]=4 700 B8R1.3 C1CC(=O)CCC1O TS94873 [1,0,0,1,0,0|2,0,0]=4 701 B8R1.3 C1CC(=O)NCC1N TS88548 [1,0,0,1,0,0|2,0,0]=4 702 B8R1.3 CC1CCC(=O)CC1 TS39765 [1,0,0,1,0,0|1,0,0]=3 703 B8R1.3 CC1CCC(CC1)O TS32101 [1,0,0,1,0,0|1,0,1]=4 704 B8R1.3 CN1CCC(=O)CC1 TS00486 [1,0,0,1,0,0|2,0,0]=4 705 B8R1.3 C[C@H]1CC[C@@H](CC1)O TS32104 [1,0,0,1,0,0|1,0,1]=4 706 B8R1.3 C[C@H]1CC[C@H](CC1)O TS32107 [1,0,0,1,0,0|1,0,1]=4 707 B8R1.35 C1CC1CCC(=O)O TS04433 [1,0,0,1,0,0|0,0,0]=2 708 B8R1.77 C1C(C1(Cl)Cl)C(=O)O TS41482 [1,0,0,1,0,0|2,0,0]=4 709 B8R1.77 C1C(C1(F)Cl)C(=O)O TS37243 [1,0,0,1,0,0|2,0,0]=4 710 B8R1.77 C1C(C1(F)F)C(=O)O TS04886 [1,0,0,1,0,0|2,0,0]=4 711 B8R1.77 CC1(CC1C(=O)O)C TS47118 [1,0,0,1,0,0|0,0,0]=2 712 B8R1.77 CC1(C[C@@H]1C(=O)N)C TS94076 [1,0,0,1,0,0|1,0,0]=3 713 B8R1.77 CC1(C[C@@H]1C(=O)O)C TS16627 [1,0,0,1,0,0|0,0,0]=2 714 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O TS04694 [0,0,0,1,1,0|2,0,0]=4 715 B10R1.13 C1CC(CCC1C(=O)O)N TS02990 [0,0,0,1,0,1|2,0,0]=4 716 B10R1.13 C1CC(CCC1C(=O)O)O TS06943 [0,0,0,1,0,1|2,0,0]=4 717 B10R1.13 C1C[C@H](NC[C@@H]1O)C(=O)O TS14843 [0,0,0,1,0,1|1,0,0]=3 718 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O TS87571 [0,0,0,1,0,1|1,0,0]=3 719 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O TS39836 [0,0,0,1,0,1|2,0,0]=4 720 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O TS88414 [0,0,0,1,0,1|2,0,0]=4 721 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O TS40167 [0,0,0,1,0,1|2,0,0]=4 722 B10R1.13 CN1CCC(CC1)C(=O)O TS00054 [0,0,0,1,0,1|2,0,0]=4 723 B10R1.13 CN1CCC(CC1)C(=O)O TS47001 [0,0,0,1,0,1|2,0,0]=4 724 B10R1.13 CN1CCC(CC1)C(=O)O TS88476 [0,0,0,1,0,1|2,0,0]=4 725 B10R1.359 CC1(NC(CS1)C(=O)O)C TS11434 [0,0,0,1,0,1|0,0,0]=2 726 B10R1.359 CC1(OCC(O1)C(=O)O)C TS47114 [0,0,0,1,0,1|1,0,0]=3 727 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C TS40377 [0,0,0,1,0,1|1,0,0]=3 728 B10R1.54 CC(C)C[C@@H]1COC(=O)N1 TS40081 [0,0,0,1,0,1|1,0,0]=3 729 B10R1.54 CC(C)C[C@H]1COC(=O)N1 TS06855 [0,0,0,1,0,1|1,0,0]=3 730 B10R1.329 CC1(CC(=CC(=O)C1)N)C TS33184 [0,0,0,1,0,1|1,0,1]=4 731 B10R1.329 CC1CC(=O)CC(C1)(C)C TS06507 [0,0,0,1,0,1|2,0,0]=4 732 B10R1.560 CC1(CC(=O)C(C1)(C)C)C TS06502 [0,1,0,1,0,0|2,0,0]=4 733 B10R1.566 C1C(CC1(F)F)(C(=O)O)N TS89776 [0,1,0,1,0,0|1,0,0]=3 734 B10R1.566 CC1(CC(C1)(F)F)C(=O)O TS91391 [0,1,0,1,0,0|2,0,0]=4 735 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N TS86868 [0,1,0,1,0,0|2,0,0]=4 736 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N TS92331 [0,1,0,1,0,0|2,0,0]=4 737 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)N TS40177 [0,1,0,1,0,0|1,0,0]=3 738 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O TS01915 [0,1,0,1,0,0|1,0,0]=3 739 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)F TS07308 [0,1,0,1,0,0|1,0,0]=3 740 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)N TS40174 [0,1,0,1,0,0|1,0,0]=3 741 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O TS14842 [0,1,0,1,0,0|1,0,0]=3 742 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N TS92782 [0,1,0,1,0,0|2,0,0]=4 743 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N TS92045 [0,1,0,1,0,0|2,0,0]=4 744 B10R1.64 CC(C)CC1CCCC1=O TS06505 [0,1,0,1,0,0|2,0,0]=4 745 B10R1.413 CC1(CC(=C1)C(=O)OC)C TS87918 [0,1,0,1,0,0|1,0,1]=4 746 B10R1.413 CC1(CC(C1)C(=O)OC)C TS87199 [0,1,0,1,0,0|1,0,0]=3 747 B10R1.424 CC1(CC(C1)O)C(=O)OC TS92795 [0,1,0,1,0,0|2,0,0]=4 748 B10R1.424 C[C@]1(C[C@@H](C1)O)C(=O)OC TS91922 [0,1,0,1,0,0|2,0,0]=4 749 B10R1.424 C[C@]1(C[C@H](C1)O)C(=O)OC TS92056 [0,1,0,1,0,0|2,0,0]=4 750 B10R1.113 C1CC(CC(C1)N)C(=O)O TS65881 [0,1,0,1,0,0|2,0,0]=4 751 B10R1.113 C1CN[C@@H](CC1=O)C(=O)O TS06832 [0,1,0,1,0,0|1,0,1]=4 752 B10R1.113 CC1CCCC(N1)C(=O)O TS39361 [0,1,0,1,0,0|2,0,0]=4 753 B10R1.113 CC1OCC[C@H](O1)C(=O)O TS40371 [0,1,0,1,0,0|2,0,0]=4 754 B10R1.113 CN1CCCC(C1)C(=O)O TS14485 [0,1,0,1,0,0|2,0,0]=4 755 B10R1.113 CN1CCCC(C1)C(=O)O TS59572 [0,1,0,1,0,0|2,0,0]=4 756 B10R1.113 CN1CCNC(C1)C(=O)O TS03179 [0,1,0,1,0,0|1,0,0]=3 757 B10R1.113 CN1CCNC(C1)C(=O)O TS49218 [0,1,0,1,0,0|1,0,0]=3 758 B10R1.113 CN1CCOC(C1)C(=O)O TS14844 [0,1,0,1,0,0|2,0,0]=4 759 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O TS94421 [0,1,0,1,0,0|0,0,0]=2 760 B10R1.31 C1[C@@H](CN[C@@H]1C(=O)O)C#N TS06441 [0,1,0,1,0,0|0,0,1]=3 761 B10R1.31 C1[C@H](CN[C@@H]1C(=O)O)C#N TS46522 [0,1,0,1,0,0|0,0,1]=3 762 B10R1.31 [2H]O[C@@H]1C[C@H](NC1)C(=O)O TS43268 [0,1,0,1,0,0|1,0,0]=3 763 B10R1.31 [2H]O[C@H]1C[C@H](NC1)C(=O)O TS01387 [0,1,0,1,0,0|1,0,0]=3 764 B10R1.31 [2H]O[C@H]1C[C@H](NC1)C(=O)O TS01388 [0,1,0,1,0,0|1,0,0]=3 765 B10R1.204 C1CC(C1)CC(C(=O)O)N TS40084 [0,1,0,1,0,0|0,0,0]=2 766 B10R1.204 C1CC(C1)C[C@H](C(=O)O)N TS06869 [0,1,0,1,0,0|0,0,0]=2 767 B10R2.348 C1C2CC1(NC2)C(=O)O TS89247 [0,0,0,2,0,0|0,0,0]=2 768 B10R2.355 C1C2C1C(NC2)C(=O)O TS65883 [0,0,0,2,0,0|0,0,0]=2 769 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O TS89200 [0,0,0,2,0,0|0,0,0]=2 770 B10R2.357 C1C2C1CC(C2)C(=O)O TS89364 [0,0,0,2,0,0|1,0,0]=3 771 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)N TS94036 [0,0,0,2,0,0|1,0,0]=3 772 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O TS85651 [0,0,0,2,0,0|0,0,0]=2 773 B8R0.28 CC(=CCCC(=O)C)C TS36151 [1,0,0,0,0,1|1,0,1]=4 774 B8R0.28 CC(=NOCC(=O)O)C TS05640 [1,0,0,0,0,1|1,0,1]=4 775 B8R0.28 CC(=O)CCCC(=O)O TS36468 [1,0,0,0,0,1|1,0,1]=4 776 B8R0.28 CC(=O)NCCC(=O)O TS05634 [1,0,0,0,0,1|1,0,1]=4 777 B8R0.28 CC(=O)OCCN(C)C TS36594 [1,0,0,0,0,1|2,0,0]=4 778 B8R0.28 CC(C)CC=CC(=O)C TS05196 [1,0,0,0,0,1|1,0,1]=4 779 B8R0.28 CC(C)CCCC(=C)C TS05218 [1,0,0,0,0,1|2,0,0]=4 780 B8R0.28 CC(C)CCCC(=O)O TS36507 [1,0,0,0,0,1|0,0,0]=2 781 B8R0.28 CC(C)CCCC(C)O TS36534 [1,0,0,0,0,1|1,0,1]=4 782 B8R0.28 CC(C)CCNC(=O)C TS36434 [1,0,0,0,0,1|1,0,0]=3 783 B8R0.28 CC(C)CCOC(=O)C TS05553 [1,0,0,0,0,1|1,0,0]=3 784 B8R0.28 CC(C)CCO[N+](=O)[O-] TS01921 [1,0,0,0,0,1|1,0,1]=4 785 B8R0.28 CC(C)OCCC(=O)C TS05569 [1,0,0,0,0,1|1,0,0]=3 786 B8R0.28 CN(C)CC=CC(=O)O TS01732 [1,0,0,0,0,1|1,0,1]=4 787 B8R0.28 CN(C)CCCC(=O)O TS12444 [1,0,0,0,0,1|1,0,0]=3