0 B9R1.35 C1C(OC(S1)C(=O)O)O TS09846 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 C1CC(=O)CC1C(=O)O TS70700 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O TS90178 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.35 C1CC(=O)C[C@H]1C(=O)O TS86854 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.35 C1CC(=O)NC1C(=O)O TS05440 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O TS05437 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 C1CC(=O)N[C@H]1C(=O)O TS05430 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 C1CC(=O)O[C@@H]1C(=O)O TS59548 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 C1CC(CC1C(=O)O)N TS39702 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 C1CN(CC1O)C(=N)N TS24349 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 C1C[C@@H](C[C@H]1C(=O)O)O TS36473 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N TS08777 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N TS92868 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N TS92542 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O TS11765 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O TS36219 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)Br TS46524 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F TS46525 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)N TS46523 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S TS85743 [0,0,0,0,0,0|0,1,0]=1 20 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)F TS08009 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.35 C1[C@H](C=C[C@@H]1N)C(=O)O TS36226 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O TS08776 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O TS11766 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)Br TS46521 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F TS01733 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)N TS46520 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O TS01525 [0,0,0,0,0,0|0,0,0]=0 28 B9R1.35 C1[C@H](NCC1=O)C(=O)O TS43718 [0,0,0,0,0,0|0,0,2]=2 29 B9R1.35 C1[C@H](NCC1=O)C(=O)O TS71273 [0,0,0,0,0,0|0,0,2]=2 30 B9R1.35 C1[C@H](NCC1=O)C(=O)O TS94150 [0,0,0,0,0,0|0,0,2]=2 31 B9R1.35 CC(=O)N1CCC(C1)N TS90065 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.35 CC(=O)N1CC[C@H](C1)O TS86695 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.35 CC1N[C@H](CS1)C(=O)O TS07362 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.35 CN1CCC(C1)C(=O)O TS42973 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.35 CN1CCC(C1)C(=O)O TS47006 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 CN1CC[C@@H](C1)C(=O)O TS88736 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 CN1CC[C@H](C1)C(=O)O TS91774 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O TS05455 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O TS36399 [0,0,0,0,0,0|1,0,0]=1 40 B8R1.7 B(C1CCCC1)(O)O TS55826 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.7 C1C(NCS1)C(=O)O TS05827 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.7 C1C=CC(N1)C(=O)O TS39629 [1,0,0,0,0,0|0,0,2]=3 43 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.7 C1C=CCC1C(=O)O TS16735 [1,0,0,0,0,0|1,0,2]=4 45 B8R1.7 C1C=C[C@H](N1)C(=O)N TS40706 [1,0,0,0,0,0|1,0,2]=4 46 B8R1.7 C1CC(NC1)C(=O)N TS39860 [1,0,0,0,0,0|1,0,0]=2 47 B8R1.7 C1CC(NC1)C(=O)O TS04527 [1,0,0,0,0,0|0,0,0]=1 48 B8R1.7 C1CC(OC1)C(=O)O TS65650 [1,0,0,0,0,0|1,0,0]=2 49 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.7 C1CCC(C1)C(=O)N TS04395 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.7 C1CCC(C1)C(=O)O TS55824 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.7 C1CCN(C1)C(=O)Cl TS08208 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.7 C1CNCC1C(=O)N TS32074 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.7 C1CNCC1C(=O)N TS85947 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.7 C1CNCC1C(=O)O TS22734 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 C1CNC[C@@H]1C(=O)N TS86748 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.7 C1CNC[C@@H]1C(=O)O TS04526 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 C1CNC[C@H]1C(=O)N TS87104 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 C1CNC[C@H]1C(=O)N TS90204 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.7 C1CNC[C@H]1C(=O)O TS85658 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.7 C1COC=C1C(=O)O TS32035 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.7 C1COCC1C(=O)N TS88172 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 C1COCC1C(=O)O TS59430 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.7 C1COC[C@@H]1C(=O)O TS08087 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.7 C1COC[C@H]1C(=O)O TS32191 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.7 C1CSC(N1)C(=O)O TS05828 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [1,0,0,0,0,0|0,0,0]=1 71 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [1,0,0,0,0,0|0,0,0]=1 72 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [1,0,0,0,0,0|1,0,0]=2 75 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [1,0,0,0,0,0|0,0,0]=1 76 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.7 C1[C@@H](NCS1)C(=O)O TS05829 [1,0,0,0,0,0|1,0,0]=2 78 B8R1.7 CC(=O)C1=CCCC1 TS31835 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.7 CC(=O)C1CCCC1 TS46943 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.7 CC(=O)C1CCCC1 TS52586 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.7 CC(=O)N1CCCC1 TS32010 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.7 CC(C1CCCC1)O TS04475 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.14 COC(=O)C1CCC(=O)C1 TS88105 [0,1,0,0,0,0|1,0,2]=4 84 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 TS89880 [0,1,0,0,0,0|1,0,2]=4 85 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N TS86868 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N TS92331 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)N TS40177 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O TS01915 [0,1,0,0,0,0|0,0,0]=1 89 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)F TS07308 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)N TS40174 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O TS14842 [0,1,0,0,0,0|0,0,0]=1 92 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 TS90992 [0,1,0,0,0,0|1,0,2]=4 93 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N TS92782 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N TS92045 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.31 C1[C@@H](CN[C@@H]1C(=O)O)C#N TS06441 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.31 C1[C@H](CN[C@@H]1C(=O)O)C#N TS46522 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.31 [2H]O[C@@H]1C[C@H](NC1)C(=O)O TS43268 [0,1,0,0,0,0|0,0,0]=1 98 B10R1.31 [2H]O[C@H]1C[C@H](NC1)C(=O)O TS01387 [0,1,0,0,0,0|0,0,0]=1 99 B10R1.31 [2H]O[C@H]1C[C@H](NC1)C(=O)O TS01388 [0,1,0,0,0,0|0,0,0]=1 100 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O TS40289 [0,1,0,0,0,0|0,0,0]=1 101 B10R1.359 C1CC(CC1C(=O)O)(F)F TS91321 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.359 C1CC(C[C@@H]1C(=O)O)(F)F TS92449 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.359 C1CC(C[C@H]1C(=O)O)(F)F TS91443 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.359 C1[C@@H](NCC1(F)F)C(=O)O TS92608 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.359 C1[C@H](NCC1(F)F)C(=O)O TS89818 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.359 C1[C@H](NCC1(F)F)C(=O)O TS91654 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.8 C(CC(C(=O)O)N)CN TS12622 [0,0,1,0,0,0|3,0,0]=4 108 B8R0.8 C(CC(C(=O)O)N)CN TS21454 [0,0,1,0,0,0|3,0,0]=4 109 B8R0.8 C(CC(C(=O)O)N)CN TS38757 [0,0,1,0,0,0|3,0,0]=4 110 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS07674 [0,0,1,0,0,0|3,0,0]=4 111 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS36671 [0,0,1,0,0,0|3,0,0]=4 112 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS51453 [0,0,1,0,0,0|3,0,0]=4 113 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS74512 [0,0,1,0,0,0|3,0,0]=4 114 B8R0.8 C(C[C@H](C(=O)O)N)CN TS12623 [0,0,1,0,0,0|3,0,0]=4 115 B8R0.8 CCCC=C(C)C(=O)O TS36301 [0,0,1,0,0,0|2,0,1]=4 116 B8R0.8 CCCCC(C(=O)O)Br TS51947 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.8 CCCCC(C(=O)O)N TS05663 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.8 CCCCC(C(=O)O)O TS05717 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.8 CCCCC(C)C(=O)C TS05385 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.8 CCCCC(C)C(=O)Cl TS07516 [0,0,1,0,0,0|3,0,0]=4 121 B8R0.8 CCCCC(C)C(=O)O TS05567 [0,0,1,0,0,0|2,0,0]=3 122 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [0,0,1,0,0,0|3,0,0]=4 123 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [0,0,1,0,0,0|3,0,0]=4 124 B8R0.9 C(C(=O)NCC(=O)O)N TS36650 [0,0,1,0,0,0|1,0,2]=4 125 B8R0.9 C(C(=O)NCC(=O)O)N TS44935 [0,0,1,0,0,0|1,0,2]=4 126 B8R0.9 C(CC(=O)O)C(=O)CN TS43267 [0,0,1,0,0,0|0,0,2]=3 127 B8R0.9 C(CC(=O)O)C(=O)CN TS71377 [0,0,1,0,0,0|0,0,2]=3 128 B8R0.9 CC(=O)OCC(CO)O TS05871 [0,0,1,0,0,0|3,0,0]=4 129 B8R0.9 CCC(C)CCC(=O)C TS05381 [0,0,1,0,0,0|3,0,0]=4 130 B8R0.9 CCC(C)CCC(=O)O TS36505 [0,0,1,0,0,0|2,0,0]=3 131 B8R0.15 CCC[C@@H](C(=O)O)NC TS36587 [0,0,1,0,0,0|1,0,0]=2 132 B8R0.15 CCC[C@@H](CO)C(=O)O TS36660 [0,0,1,0,0,0|3,0,0]=4 133 B8R0.23 C(C(C(=O)O)Br)C(=O)O TS53789 [0,0,1,0,0,0|2,0,1]=4 134 B8R0.23 C(C(C(=O)O)Cl)C(=O)O TS10241 [0,0,1,0,0,0|2,0,1]=4 135 B8R0.23 C(C(C(=O)O)N)C(=O)N TS36641 [0,0,1,0,0,0|1,0,2]=4 136 B8R0.23 C(C(C(=O)O)N)C(=O)N TS40817 [0,0,1,0,0,0|1,0,2]=4 137 B8R0.23 C(C(C(=O)O)O)C(=O)O TS05865 [0,0,1,0,0,0|2,0,1]=4 138 B8R0.23 C(C(C(=O)O)O)C(=O)O TS23073 [0,0,1,0,0,0|2,0,1]=4 139 B8R0.23 C(C(C(=O)O)S)C(=O)O TS09847 [0,0,1,0,0,0|2,0,1]=4 140 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O TS36647 [0,0,1,0,0,0|2,0,1]=4 141 B8R0.23 C([C@@H](C(=O)O)Br)C(=O)O TS53790 [0,0,1,0,0,0|2,0,1]=4 142 B8R0.23 C([C@@H](C(=O)O)Cl)C(=O)O TS10240 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O TS05808 [0,0,1,0,0,0|1,0,1]=3 144 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O TS77146 [0,0,1,0,0,0|1,0,1]=3 145 B8R0.23 C([C@@H](C(=O)O)N)S(=O)O TS41261 [0,0,1,0,0,0|2,0,0]=3 146 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O TS05866 [0,0,1,0,0,0|2,0,1]=4 147 B8R0.23 C([C@H](C(=O)N)N)C(=O)O TS36642 [0,0,1,0,0,0|2,0,1]=4 148 B8R0.23 C([C@H](C(=O)O)Cl)C(=O)O TS10242 [0,0,1,0,0,0|2,0,1]=4 149 B8R0.23 C([C@H](C(=O)O)N)C(=O)O TS93443 [0,0,1,0,0,0|1,0,1]=3 150 B8R0.23 C([C@H](C(=O)O)O)C(=O)O TS01888 [0,0,1,0,0,0|2,0,1]=4 151 B8R0.23 CC(C)CC(=O)C(=O)O TS05517 [0,0,1,0,0,0|2,0,1]=4 152 B8R0.23 CC(C)CC(C(=O)N)N TS43163 [0,0,1,0,0,0|2,0,0]=3 153 B8R0.23 CC(C)CC(C(=O)O)Br TS51948 [0,0,1,0,0,0|2,0,0]=3 154 B8R0.23 CC(C)CC(C(=O)O)N TS36599 [0,0,1,0,0,0|1,0,0]=2 155 B8R0.23 CC(C)CC(C(=O)O)N TS36676 [0,0,1,0,0,0|1,0,0]=2 156 B8R0.23 CC(C)CC(C(=O)O)O TS05722 [0,0,1,0,0,0|2,0,0]=3 157 B8R0.23 CC(C)CC(C)C(=O)O TS36502 [0,0,1,0,0,0|2,0,0]=3 158 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS36522 [0,0,1,0,0,0|2,0,0]=3 159 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS43161 [0,0,1,0,0,0|2,0,0]=3 160 B8R0.23 CC(C)C[C@@H](C(=O)O)Br TS17994 [0,0,1,0,0,0|2,0,0]=3 161 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl TS09969 [0,0,1,0,0,0|2,0,0]=3 162 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS01527 [0,0,1,0,0,0|1,0,0]=2 163 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS18946 [0,0,1,0,0,0|1,0,0]=2 164 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS36675 [0,0,1,0,0,0|1,0,0]=2 165 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS93953 [0,0,1,0,0,0|1,0,0]=2 166 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS05731 [0,0,1,0,0,0|2,0,0]=3 167 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS94480 [0,0,1,0,0,0|2,0,0]=3 168 B8R0.23 CC(C)C[C@H](C(=O)N)N TS43166 [0,0,1,0,0,0|2,0,0]=3 169 B8R0.23 CC(C)C[C@H](C(=O)O)N TS59534 [0,0,1,0,0,0|1,0,0]=2 170 B8R0.23 CC(CC(=O)C)C(=O)O TS05533 [0,0,1,0,0,0|1,0,2]=4 171 B8R0.23 CC(CC(=O)O)C(=O)O TS00108 [0,0,1,0,0,0|2,0,1]=4 172 B8R0.23 CN(C)C[C@@H](C(=O)O)N TS36673 [0,0,1,0,0,0|2,0,0]=3 173 B8R0.23 CN(C)C[C@H](C(=O)O)N TS36670 [0,0,1,0,0,0|2,0,0]=3 174 B8R0.23 CS(=O)C[C@@H](C(=O)O)N TS10058 [0,0,1,0,0,0|1,0,1]=3 175 B8R0.23 C[C@@H](CC(=O)O)C(=O)O TS05707 [0,0,1,0,0,0|2,0,1]=4 176 B8R0.23 C[C@H](CC(=O)O)C(=O)O TS05708 [0,0,1,0,0,0|2,0,1]=4 177 B8R0.28 C(C(=O)O)NCC(=O)O TS05807 [0,0,1,0,0,0|1,0,1]=3 178 B8R0.28 C(C(=O)O)OCC(=O)O TS22953 [0,0,1,0,0,0|2,0,1]=4 179 B8R0.28 C(CC(=O)O)CC(=O)O TS05706 [0,0,1,0,0,0|2,0,1]=4 180 B8R0.28 CC(=O)CCCC(=O)O TS36468 [0,0,1,0,0,0|1,0,2]=4 181 B8R0.28 CC(C)CCCC(=O)O TS36507 [0,0,1,0,0,0|2,0,0]=3 182 B8R0.28 CC(CNCC(C)O)O TS01444 [0,0,1,0,0,0|1,0,1]=3 183 B8R0.28 CN(C)CCCC(=O)O TS12444 [0,0,1,0,0,0|3,0,0]=4 184 B10R2.348 C1C2CC1(NC2)C(=O)O TS89247 [0,0,0,1,0,0|1,0,0]=2 185 B10R2.355 C1C2C1C(NC2)C(=O)O TS65883 [0,0,0,1,0,0|1,0,0]=2 186 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O TS89200 [0,0,0,1,0,0|1,0,0]=2 187 B10R2.357 C1C2C1CC(C2)C(=O)O TS89364 [0,0,0,1,0,0|2,0,0]=3 188 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)N TS94036 [0,0,0,1,0,0|2,0,0]=3 189 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O TS85651 [0,0,0,1,0,0|1,0,0]=2 190 B8R1.23 C1C(CC1=O)C(=O)O TS31990 [0,0,0,0,1,0|0,0,2]=3 191 B8R1.23 C1C(CC1=O)C(=O)O TS70699 [0,0,0,0,1,0|0,0,2]=3 192 B8R1.23 C1C(CC1Cl)C(=O)O TS05939 [0,0,0,0,1,0|1,0,0]=2 193 B8R1.23 C1C(CC1F)C(=O)O TS88107 [0,0,0,0,1,0|1,0,0]=2 194 B8R1.23 C1C(CC1O)C(=O)O TS89594 [0,0,0,0,1,0|0,0,0]=1 195 B8R1.23 C1C(NC1=O)C(=O)O TS04513 [0,0,0,0,1,0|0,0,2]=3 196 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N TS01385 [0,0,0,0,1,0|1,0,0]=2 197 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N TS89298 [0,0,0,0,1,0|1,0,0]=2 198 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O TS91710 [0,0,0,0,1,0|0,0,0]=1 199 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N TS59457 [0,0,0,0,1,0|1,0,0]=2 200 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N TS90983 [0,0,0,0,1,0|1,0,0]=2 201 B8R1.23 C1[C@@H](NC1=O)C(=O)O TS89740 [0,0,0,0,1,0|0,0,2]=3 202 B8R1.23 C1[C@H](NC1=O)C(=O)O TS32146 [0,0,0,0,1,0|0,0,2]=3 203 B8R1.23 C=C1CC(C1)C(=O)O TS60352 [0,0,0,0,1,0|1,0,1]=3 204 B8R1.23 C=C1CC(C1)C(=O)O TS89475 [0,0,0,0,1,0|1,0,1]=3 205 B8R1.23 CC(=O)N1CC(C1)N TS91765 [0,0,0,0,1,0|3,0,0]=4 206 B8R1.23 CC(=O)N1CC(C1)O TS85600 [0,0,0,0,1,0|2,0,0]=3 207 B8R1.23 CC1CC(C1)C(=O)O TS88279 [0,0,0,0,1,0|1,0,0]=2 208 B8R1.23 CN1CC(C1)C(=O)O TS89334 [0,0,0,0,1,0|2,0,0]=3 209 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O TS89006 [0,0,0,0,1,0|1,0,0]=2 210 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O TS89005 [0,0,0,0,1,0|1,0,0]=2 211 B10R1.13 C1CC(=O)CCC1C(=O)O TS37561 [0,0,0,0,0,1|1,0,2]=4 212 B10R1.13 C1CC(=O)NCC1C(=O)O TS90741 [0,0,0,0,0,1|1,0,2]=4 213 B10R1.13 C1CC(CCC1C(=O)O)N TS02990 [0,0,0,0,0,1|2,0,0]=3 214 B10R1.13 C1CC(CCC1C(=O)O)O TS06943 [0,0,0,0,0,1|1,0,0]=2 215 B10R1.13 C1C[C@H](NC[C@@H]1O)C(=O)O TS14843 [0,0,0,0,0,1|0,0,0]=1 216 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O TS87571 [0,0,0,0,0,1|0,0,0]=1 217 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O TS39836 [0,0,0,0,0,1|2,0,0]=3 218 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O TS88414 [0,0,0,0,0,1|2,0,0]=3 219 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O TS40167 [0,0,0,0,0,1|1,0,0]=2 220 B10R1.13 CC(=O)N1CCC(CC1)O TS86002 [0,0,0,0,0,1|3,0,0]=4 221 B10R1.13 CN1CCC(CC1)C(=O)O TS00054 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.13 CN1CCC(CC1)C(=O)O TS47001 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.13 CN1CCC(CC1)C(=O)O TS88476 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.54 C1CN(CC1N)CC(=O)O TS40179 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.54 C1CN(CC1O)CC(=O)O TS08024 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.54 CC(=O)O[C@@H]1C[C@@H](C=C1)O TS91040 [0,0,0,0,0,1|2,0,1]=4 227 B10R1.113 C1CC(CC(C1)N)C(=O)O TS65881 [0,0,0,0,0,1|2,0,0]=3 228 B10R1.113 C1CNC(=O)CC1C(=O)O TS85991 [0,0,0,0,0,1|1,0,2]=4 229 B10R1.113 C1CN[C@@H](CC1=O)C(=O)O TS06832 [0,0,0,0,0,1|0,0,2]=3 230 B10R1.113 CC1CCCC(N1)C(=O)O TS39361 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.113 CC1OCC[C@H](O1)C(=O)O TS40371 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.113 CN1CCCC(C1)C(=O)O TS14485 [0,0,0,0,0,1|3,0,0]=4 233 B10R1.113 CN1CCCC(C1)C(=O)O TS59572 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.113 CN1CCNC(C1)C(=O)O TS03179 [0,0,0,0,0,1|2,0,0]=3 235 B10R1.113 CN1CCNC(C1)C(=O)O TS49218 [0,0,0,0,0,1|2,0,0]=3 236 B10R1.113 CN1CCOC(C1)C(=O)O TS14844 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O TS94421 [0,0,0,0,0,1|1,0,0]=2 238 B7R0.3 C(CC(CO)O)CO TS32424 [1,0,1,0,0,0|1,0,1]=4 239 B7R0.3 CCC(CCC=C)O TS32091 [1,0,1,0,0,0|2,0,0]=4 240 B7R0.4 C(CC(=O)O)CON TS18930 [1,0,1,0,0,0|1,0,0]=3 241 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [1,0,1,0,0,0|2,0,0]=4 242 B7R0.4 C(CCBr)CC(=O)O TS14721 [1,0,1,0,0,0|1,0,0]=3 243 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [1,0,1,0,0,0|2,0,0]=4 244 B7R0.4 C(CCCl)CC(=O)O TS06138 [1,0,1,0,0,0|1,0,0]=3 245 B7R0.4 C(CCN)CC(=O)O TS04661 [1,0,1,0,0,0|0,0,0]=2 246 B7R0.4 C(CCN)CC(=O)O TS41314 [1,0,1,0,0,0|0,0,0]=2 247 B7R0.4 C(CCl)OCC(=O)O TS37248 [1,0,1,0,0,0|2,0,0]=4 248 B7R0.4 C(CNCC(=O)O)N TS32336 [1,0,1,0,0,0|1,0,0]=3 249 B7R0.4 C(COCC(=O)N)O TS32389 [1,0,1,0,0,0|2,0,0]=4 250 B7R0.4 C=CCCCC(=O)O TS04449 [1,0,1,0,0,0|1,0,1]=4 251 B7R0.4 C=CCNCC(=O)O TS41063 [1,0,1,0,0,0|0,0,2]=4 252 B7R0.4 CC(=O)CCCCBr TS47671 [1,0,1,0,0,0|2,0,0]=4 253 B7R0.4 CC(=O)CCCCCl TS05947 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.4 CC(CCCCO)O TS04744 [1,0,1,0,0,0|1,0,1]=4 255 B7R0.4 CC(CNCCN)O TS32351 [1,0,1,0,0,0|1,0,1]=4 256 B7R0.4 CCC=CCC(=O)O TS04425 [1,0,1,0,0,0|1,0,1]=4 257 B7R0.4 CCCC#CC(=O)O TS31912 [1,0,1,0,0,0|1,0,1]=4 258 B7R0.4 CCCC=CC(=O)O TS59547 [1,0,1,0,0,0|1,0,1]=4 259 B7R0.4 CCCCCC(=O)C TS32098 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.4 CCCCCC(=O)Cl TS05948 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.4 CCCCCC(=O)N TS32152 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.4 CCCCCC(=O)O TS32204 [1,0,1,0,0,0|1,0,0]=3 263 B7R0.4 CCCCCC(=O)[O-] TS37174 [1,0,1,0,0,0|1,0,1]=4 264 B7R0.4 CCCCCC(=O)[O-] TS58596 [1,0,1,0,0,0|1,0,1]=4 265 B7R0.4 CCCNCC(=O)O TS04670 [1,0,1,0,0,0|0,0,0]=2 266 B7R0.4 CCCOCC(=O)O TS32314 [1,0,1,0,0,0|1,0,0]=3 267 B7R0.4 CCCSCC(=O)O TS05921 [1,0,1,0,0,0|1,0,0]=3 268 B7R0.4 CCOCCC(=O)O TS32325 [1,0,1,0,0,0|2,0,0]=4 269 B7R0.4 CNCCCC(=O)O TS41308 [1,0,1,0,0,0|2,0,0]=4 270 B7R0.4 C[C@H](CCCCO)O TS04737 [1,0,1,0,0,0|1,0,1]=4 271 B7R0.5 C#CCC(C(=O)O)N TS04373 [1,0,1,0,0,0|0,0,2]=4 272 B7R0.5 C#CC[C@H](C(=O)O)N TS04370 [1,0,1,0,0,0|0,0,2]=4 273 B7R0.5 C(C#N)[C@@H](C(=O)O)N TS32049 [1,0,1,0,0,0|1,0,1]=4 274 B7R0.5 C(C=O)C(C(=O)O)N TS32274 [1,0,1,0,0,0|0,0,2]=4 275 B7R0.5 C(CBr)C(C(=O)O)Br TS27394 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.5 C(CBr)[C@@H](C(=O)O)N TS68673 [1,0,1,0,0,0|1,0,0]=3 277 B7R0.5 C(CN)C(C(=O)O)N TS32337 [1,0,1,0,0,0|1,0,0]=3 278 B7R0.5 C(CN)C(C(=O)O)N TS51238 [1,0,1,0,0,0|1,0,0]=3 279 B7R0.5 C(CN)C(C(=O)O)O TS02964 [1,0,1,0,0,0|2,0,0]=4 280 B7R0.5 C(CN)[C@@H](C(=O)O)N TS01514 [1,0,1,0,0,0|1,0,0]=3 281 B7R0.5 C(CN)[C@@H](C(=O)O)N TS54154 [1,0,1,0,0,0|1,0,0]=3 282 B7R0.5 C(CN)[C@@H](C(=O)O)O TS46625 [1,0,1,0,0,0|2,0,0]=4 283 B7R0.5 C(CN)[C@H](C(=O)O)F TS04856 [1,0,1,0,0,0|2,0,0]=4 284 B7R0.5 C(CN)[C@H](C(=O)O)N TS04719 [1,0,1,0,0,0|1,0,0]=3 285 B7R0.5 C(CN)[C@H](C(=O)O)N TS51237 [1,0,1,0,0,0|1,0,0]=3 286 B7R0.5 C(CO)C(C(=O)O)N TS32380 [1,0,1,0,0,0|0,0,0]=2 287 B7R0.5 C(CO)[C@@H](C(=O)O)N TS01524 [1,0,1,0,0,0|0,0,0]=2 288 B7R0.5 C(CO)[C@@H](C(=O)O)N TS59867 [1,0,1,0,0,0|0,0,0]=2 289 B7R0.5 C(CO)[C@@H](C(=O)O)O TS32406 [1,0,1,0,0,0|1,0,0]=3 290 B7R0.5 C(CO)[C@H](C(=O)O)N TS01423 [1,0,1,0,0,0|0,0,0]=2 291 B7R0.5 C(CS)C(C(=O)O)N TS05996 [1,0,1,0,0,0|0,1,0]=3 292 B7R0.5 C(CS)[C@@H](C(=O)O)N TS05998 [1,0,1,0,0,0|0,1,0]=3 293 B7R0.5 C(CS)[C@H](C(=O)O)N TS05994 [1,0,1,0,0,0|0,1,0]=3 294 B7R0.5 C=CCC(C(=O)O)N TS22958 [1,0,1,0,0,0|0,0,2]=4 295 B7R0.5 C=CC[C@@H](C(=O)O)N TS59542 [1,0,1,0,0,0|0,0,2]=4 296 B7R0.5 C=CC[C@H](C(=O)O)N TS01416 [1,0,1,0,0,0|0,0,2]=4 297 B7R0.5 C=CC[C@H](C(=O)O)N TS41064 [1,0,1,0,0,0|0,0,2]=4 298 B7R0.5 CC(C(=O)O)NC=O TS32276 [1,0,1,0,0,0|0,0,2]=4 299 B7R0.5 CC(CC=C)C(=O)O TS04437 [1,0,1,0,0,0|1,0,1]=4 300 B7R0.5 CCC=C(C)C(=O)O TS04448 [1,0,1,0,0,0|1,0,1]=4 301 B7R0.5 CCCC(=O)C(=O)O TS32183 [1,0,1,0,0,0|1,0,1]=4 302 B7R0.5 CCCC(C(=O)Cl)Br TS18873 [1,0,1,0,0,0|2,0,0]=4 303 B7R0.5 CCCC(C(=O)O)Br TS14719 [1,0,1,0,0,0|1,0,0]=3 304 B7R0.5 CCCC(C(=O)O)N TS04663 [1,0,1,0,0,0|0,0,0]=2 305 B7R0.5 CCCC(C(=O)[O-])O TS06422 [1,0,1,0,0,0|1,0,1]=4 306 B7R0.5 CCCC(C)C(=O)C TS04464 [1,0,1,0,0,0|2,0,0]=4 307 B7R0.5 CCCC(C)C(=O)Cl TS05952 [1,0,1,0,0,0|2,0,0]=4 308 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [1,0,1,0,0,0|1,0,0]=3 309 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [1,0,1,0,0,0|0,0,0]=2 310 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [1,0,1,0,0,0|0,0,0]=2 311 B7R0.5 CNC[C@@H](C(=O)O)N TS32335 [1,0,1,0,0,0|1,0,0]=3 312 B7R0.5 CNC[C@H](C(=O)O)N TS32332 [1,0,1,0,0,0|1,0,0]=3 313 B7R0.5 COCC(C(=O)O)Cl TS55196 [1,0,1,0,0,0|2,0,0]=4 314 B7R0.5 COCC(C(=O)O)N TS32379 [1,0,1,0,0,0|1,0,0]=3 315 B7R0.5 COC[C@@H](C(=O)O)N TS32377 [1,0,1,0,0,0|1,0,0]=3 316 B7R0.5 COC[C@@H](C(=O)O)N TS41554 [1,0,1,0,0,0|1,0,0]=3 317 B7R0.5 COC[C@H](C(=O)O)N TS59337 [1,0,1,0,0,0|1,0,0]=3 318 B7R0.5 CSC[C@@H](C(=O)O)N TS01687 [1,0,1,0,0,0|1,0,0]=3 319 B7R0.5 C[C@@H](C(=O)O)NC=O TS32273 [1,0,1,0,0,0|0,0,2]=4 320 B7R0.5 [2H]CN[C@@H](C)C(=O)O TS31638 [1,0,1,0,0,0|1,0,0]=3 321 B7R0.6 C(CC(=O)O)C(=O)N TS32275 [1,0,1,0,0,0|0,0,2]=4 322 B7R0.6 C(CC(=O)O)C(=O)O TS04698 [1,0,1,0,0,0|1,0,1]=4 323 B7R0.6 C(CC(=O)O)C(=O)O TS79519 [1,0,1,0,0,0|1,0,1]=4 324 B7R0.6 CC(=O)CCC(=O)O TS64917 [1,0,1,0,0,0|0,0,2]=4 325 B7R0.6 CC(C)CCC(=O)C TS32095 [1,0,1,0,0,0|2,0,0]=4 326 B7R0.6 CC(C)CCC(=O)Cl TS05954 [1,0,1,0,0,0|2,0,0]=4 327 B7R0.6 CC(C)CCC(=O)O TS32208 [1,0,1,0,0,0|1,0,0]=3 328 B7R0.6 CC(C)OCC(=O)O TS04716 [1,0,1,0,0,0|2,0,0]=4 329 B7R0.6 CC(CCC(=C)C)O TS32103 [1,0,1,0,0,0|2,0,0]=4 330 B7R0.6 CC(CCC(=O)Cl)Cl TS10541 [1,0,1,0,0,0|2,0,0]=4 331 B7R0.6 CC(CCC(C)O)O TS04747 [1,0,1,0,0,0|1,0,1]=4 332 B7R0.6 CC(COC(=O)C)O TS32324 [1,0,1,0,0,0|2,0,0]=4 333 B7R0.6 C[S+](C)CCC(=O)O TS12940 [1,0,1,0,0,0|2,0,0]=4 334 B7R0.6 C[S+](C)CCC(=O)O TS21843 [1,0,1,0,0,0|2,0,0]=4 335 B7R0.15 CCC(CC)C(=O)C TS04458 [1,0,1,0,0,0|2,0,0]=4 336 B7R0.15 CCC(CC)C(=O)Cl TS05951 [1,0,1,0,0,0|2,0,0]=4 337 B7R0.15 CCC(CC)C(=O)O TS04596 [1,0,1,0,0,0|1,0,0]=3 338 B7R0.15 CCC(CC)C(=O)[O-] TS28700 [1,0,1,0,0,0|1,0,1]=4 339 B7R0.15 CC[C@H](CO)C(=O)O TS04708 [1,0,1,0,0,0|1,0,0]=3 340 B7R0.15 CNC(CS)C(=O)O TS45390 [1,0,1,0,0,0|0,1,0]=3 341 B7R0.15 CN[C@@H](CO)C(=O)O TS32387 [1,0,1,0,0,0|0,0,0]=2 342 B7R0.15 CN[C@@H](C[SeH])C(=O)O TS48173 [1,0,1,0,0,0|0,1,0]=3 343 B7R0.2 CC(C)C[C@H](CO)N TS39858 [1,0,1,0,0,0|1,0,1]=4 344 B7R1.1 C1CC(=NO)NC1 TS03851 [2,0,0,0,0,0|1,0,1]=4 345 B7R1.1 C1CC(NC1)C#N TS31381 [2,0,0,0,0,0|1,0,1]=4 346 B7R1.1 C1CC(NC1)CN TS08246 [2,0,0,0,0,0|1,0,1]=4 347 B7R1.1 C1CC(OC1)C=O TS16819 [2,0,0,0,0,0|1,0,0]=3 348 B7R1.1 C1CC(OC1)CO TS59435 [2,0,0,0,0,0|1,0,1]=4 349 B7R1.1 C1CCC(C1)C=O TS55823 [2,0,0,0,0,0|1,0,0]=3 350 B7R1.1 C1CCC(C1)CO TS31527 [2,0,0,0,0,0|1,0,1]=4 351 B7R1.1 C1CCC(C1)CO TS44787 [2,0,0,0,0,0|1,0,1]=4 352 B7R1.1 C1CCN(C1)C=O TS03825 [2,0,0,0,0,0|2,0,0]=4 353 B7R1.1 C1COCC1C=O TS85084 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.1 C1C[C@@H](NC1)C#N TS36734 [2,0,0,0,0,0|1,0,1]=4 355 B7R1.1 C1C[C@@H](NC1)C#N TS90491 [2,0,0,0,0,0|1,0,1]=4 356 B7R1.1 C1C[C@@H](NC1)CO TS55885 [2,0,0,0,0,0|0,0,1]=3 357 B7R1.1 C1C[C@H](NC1)C#N TS46676 [2,0,0,0,0,0|1,0,1]=4 358 B7R1.1 C1C[C@H](NC1)C#N TS90329 [2,0,0,0,0,0|1,0,1]=4 359 B7R1.1 C1C[C@H](NC1)CF TS37317 [2,0,0,0,0,0|1,0,1]=4 360 B7R1.1 C1C[C@H](NC1)CF TS86985 [2,0,0,0,0,0|1,0,1]=4 361 B7R1.1 C1C[C@H](NC1)CN TS03869 [2,0,0,0,0,0|1,0,1]=4 362 B7R1.1 C1C[C@H](NC1)CN TS86369 [2,0,0,0,0,0|1,0,1]=4 363 B7R1.1 C1C[C@H](NC1)CO TS46675 [2,0,0,0,0,0|0,0,1]=3 364 B7R1.1 C1C[C@H](NC1)CO TS90617 [2,0,0,0,0,0|0,0,1]=3 365 B7R1.1 C1C[C@H](OC1)CO TS03948 [2,0,0,0,0,0|1,0,1]=4 366 B7R1.1 C=CC1CCCC1 TS44110 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.2 C1C(CNC1=O)N TS87465 [2,0,0,0,0,0|1,0,1]=4 368 B7R1.2 C1C(COC1=O)O TS31581 [2,0,0,0,0,0|1,0,1]=4 369 B7R1.2 C1CC(CC1N)O TS86416 [2,0,0,0,0,0|2,0,0]=4 370 B7R1.2 C1C[C@@H](C[C@@H]1N)O TS85957 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.2 C1C[C@@H](C[C@H]1N)O TS87237 [2,0,0,0,0,0|2,0,0]=4 372 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [2,0,0,0,0,0|0,0,1]=3 373 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [2,0,0,0,0,0|0,1,1]=4 374 B7R1.2 C1[C@@H](COC1=O)O TS33101 [2,0,0,0,0,0|1,0,1]=4 375 B7R1.2 C1[C@H](C=C[C@H]1O)O TS31496 [2,0,0,0,0,0|1,0,1]=4 376 B7R1.2 C1[C@H](CNC1=O)O TS01973 [2,0,0,0,0,0|0,0,1]=3 377 B7R1.2 C1[C@H](CNC1=O)S TS04686 [2,0,0,0,0,0|0,1,1]=4 378 B7R1.2 C1[C@H](COC1=O)O TS46585 [2,0,0,0,0,0|1,0,1]=4 379 B9R0.7 CC(C(=O)O)NCC(=O)O TS15185 [0,1,1,0,0,0|0,0,1]=3 380 B9R0.7 CC(CCC(=O)O)C(=O)O TS07157 [0,1,1,0,0,0|1,0,1]=4 381 B9R0.7 C[C@H](CCC(=O)O)C(=O)O TS07161 [0,1,1,0,0,0|1,0,1]=4 382 B9R0.13 CCCCC(CC)C(=O)O TS06981 [0,1,1,0,0,0|2,0,0]=4 383 B9R0.13 CCCC[C@@H](C(=O)O)NC TS40325 [0,1,1,0,0,0|2,0,0]=4 384 B9R0.13 CCCC[C@H](CO)C(=O)O TS40421 [0,1,1,0,0,0|2,0,0]=4 385 B9R0.42 CC(C(=O)O)NC(=O)CCl TS12101 [0,1,1,0,0,0|1,0,1]=4 386 B9R0.42 CC(C(=O)O)NC(=O)CN TS40386 [0,1,1,0,0,0|1,0,1]=4 387 B9R0.42 CCC(C)CC(C)C(=O)O TS06984 [0,1,1,0,0,0|2,0,0]=4 388 B9R0.42 C[C@@H](C(=O)O)NC(=O)CCl TS12103 [0,1,1,0,0,0|1,0,1]=4 389 B9R0.42 C[C@@H](C(=O)O)NC(=O)CN TS40388 [0,1,1,0,0,0|1,0,1]=4 390 B9R0.42 C[C@H](C(=O)O)NC(=O)CCl TS42959 [0,1,1,0,0,0|1,0,1]=4 391 B9R0.42 C[C@H](C(=O)O)NC(=O)CN TS07182 [0,1,1,0,0,0|1,0,1]=4 392 B9R0.47 C(CCO)CC(C(=O)O)N TS07321 [0,1,1,0,0,0|2,0,0]=4 393 B9R0.47 C(CCO)C[C@@H](C(=O)O)N TS40513 [0,1,1,0,0,0|2,0,0]=4 394 B9R0.47 C(CSC[C@@H](C(=O)O)N)O TS42913 [0,1,1,0,0,0|2,0,0]=4 395 B9R0.47 C(CSC[C@H](C(=O)O)N)O TS42912 [0,1,1,0,0,0|2,0,0]=4 396 B9R0.47 CCCCCC(C)C(=O)O TS40214 [0,1,1,0,0,0|2,0,0]=4 397 B9R0.51 CC(CCCN)(C(=O)O)N TS15069 [0,1,1,0,0,0|2,0,0]=4 398 B9R0.51 CCCCC(C)(C)C(=O)O TS06986 [0,1,1,0,0,0|2,0,0]=4 399 B9R0.23 CC[C@H](C)[C@@H](CC(=O)O)N TS48155 [0,1,1,0,0,0|2,0,0]=4 400 B9R0.24 COC(=O)CCC(=O)CN TS59714 [0,1,1,0,0,0|0,0,2]=4 401 B9R0.64 CCC(C)(C)CCC(=O)O TS40207 [0,1,1,0,0,0|2,0,0]=4 402 B9R0.15 CCCC(C=CC)C(=O)O TS37604 [0,1,1,0,0,0|2,0,0]=4 403 B9R0.39 CC(C)CC(C(=O)O)NC TS40324 [0,1,1,0,0,0|1,0,0]=3 404 B9R0.39 CC(C)C[C@@H](C(=O)O)NC TS07105 [0,1,1,0,0,0|1,0,0]=3 405 B9R0.39 CNC(CC(=O)O)C(=O)O TS40500 [0,1,1,0,0,0|0,0,1]=3 406 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O TS40503 [0,1,1,0,0,0|0,0,1]=3 407 B9R0.74 CCCC(C)(CC)C(=O)O TS40196 [0,1,1,0,0,0|2,0,0]=4 408 B9R0.10 CC(C)CC(N)P(=O)(O)O TS43189 [0,1,1,0,0,0|2,0,0]=4 409 B9R0.11 CC(C)CC(C)(C(=O)O)N TS40321 [0,1,1,0,0,0|1,0,0]=3 410 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N TS40326 [0,1,1,0,0,0|1,0,0]=3 411 B9R0.11 CC(CC(=O)O)(C(=O)O)N TS40505 [0,1,1,0,0,0|1,0,1]=4 412 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N TS40504 [0,1,1,0,0,0|1,0,1]=4 413 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N TS40506 [0,1,1,0,0,0|1,0,1]=4 414 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O TS44984 [0,1,1,0,0,0|2,0,0]=4 415 B9R0.57 C([C@@H](C(=O)O)N)P(=O)(O)O TS44967 [0,1,1,0,0,0|2,0,0]=4 416 B9R0.57 C([C@@H](C(=O)O)N)S(=O)(=O)O TS15768 [0,1,1,0,0,0|2,0,0]=4 417 B9R0.57 C([C@H](C(=O)O)N)P(=O)(O)O TS44964 [0,1,1,0,0,0|2,0,0]=4 418 B9R0.57 CC(C)(C)CC(C(=O)O)N TS40315 [0,1,1,0,0,0|1,0,0]=3 419 B9R0.79 C(C(C(=O)O)N)(C(=O)O)N TS40593 [0,1,1,0,0,0|1,0,1]=4 420 B9R0.79 CC(C(C(=O)O)N)C(=O)O TS40502 [0,1,1,0,0,0|1,0,1]=4 421 B9R0.79 CC(C)[C@@H]([C@@H](C(=O)O)N)O TS40512 [0,1,1,0,0,0|1,0,0]=3 422 B9R0.79 CC(C)[C@@H]([C@H](C(=O)O)N)O TS40515 [0,1,1,0,0,0|1,0,0]=3 423 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O TS59849 [0,1,1,0,0,0|1,0,0]=3 424 B9R0.79 CC(C)[C@H]([C@H](C(=O)O)N)O TS07319 [0,1,1,0,0,0|1,0,0]=3 425 B9R0.79 [C@@H]([C@@H](C(=O)O)O)(C(=O)O)N TS40710 [0,1,1,0,0,0|1,0,1]=4 426 B9R0.79 [C@@H]([C@H](C(=O)O)F)(C(=O)O)N TS09994 [0,1,1,0,0,0|1,0,1]=4 427 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)N TS07537 [0,1,1,0,0,0|1,0,1]=4 428 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)N TS07538 [0,1,1,0,0,0|1,0,1]=4 429 B9R0.79 [C@H](C(C(=O)O)O)(C(=O)O)N TS07539 [0,1,1,0,0,0|1,0,1]=4 430 B9R0.79 [C@H]([C@H](C(=O)O)O)(C(=O)O)N TS07536 [0,1,1,0,0,0|1,0,1]=4 431 B9R0.1 CC(C)CCCC(=O)OC TS06994 [0,1,1,0,0,0|2,0,0]=4 432 B9R0.53 CC(C)C[C@@H](CC(=O)O)N TS40318 [0,1,1,0,0,0|2,0,0]=4 433 B9R0.53 CC(C)C[C@@H](CC(=O)O)N TS48165 [0,1,1,0,0,0|2,0,0]=4 434 B9R0.53 CC(CN(C)CC(C)O)O TS07366 [0,1,1,0,0,0|1,0,1]=4 435 B9R0.53 CN(CC(=O)O)CC(=O)O TS39916 [0,1,1,0,0,0|1,0,1]=4 436 B9R0.56 C(C(=O)O)NCP(=O)(O)O TS15555 [0,1,1,0,0,0|2,0,0]=4 437 B9R0.56 C(C(=O)O)NCP(=O)(O)O TS44966 [0,1,1,0,0,0|2,0,0]=4 438 B9R0.56 CC(C)(C)CCCC(=O)O TS40213 [0,1,1,0,0,0|2,0,0]=4 439 B9R1.22 CN1C[C@@H](C[C@H]1CO)O TS12448 [1,1,0,0,0,0|0,0,1]=3 440 B9R1.133 C1[C@@H](NCC1(F)F)CO TS91860 [1,1,0,0,0,0|1,0,1]=4 441 B9R1.133 C1[C@H](NCC1(F)F)CO TS91964 [1,1,0,0,0,0|1,0,1]=4 442 B9R1.11 C1CC(OC1)C(=O)NN TS36475 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.11 CNC(=O)[C@@H]1CCCN1 TS11964 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.11 COC(=O)C1=CCCC1 TS85230 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.11 COC(=O)C1CCCC1 TS05351 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.11 COC(=O)C1CCCN1 TS42981 [1,1,0,0,0,0|0,0,0]=2 447 B9R1.11 COC(=O)C1CCCO1 TS02300 [1,1,0,0,0,0|1,0,0]=3 448 B9R1.11 COC(=O)C1CCNC1 TS88210 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.11 COC(=O)C1CCOC1 TS86607 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.11 COC(=O)C1NCCS1 TS15195 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.11 COC(=O)N1CCCC1 TS36396 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.11 COC(=O)[C@@H]1C=CCN1 TS11768 [1,1,0,0,0,0|0,0,2]=4 453 B9R1.11 COC(=O)[C@@H]1CCCN1 TS42969 [1,1,0,0,0,0|0,0,0]=2 454 B9R1.11 COC(=O)[C@@H]1CCNC1 TS89012 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.11 COC(=O)[C@@H]1CCOC1 TS88346 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.11 COC(=O)[C@H]1CCCN1 TS42971 [1,1,0,0,0,0|0,0,0]=2 457 B9R1.11 COC(=O)[C@H]1CCNC1 TS89015 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.11 COC(=O)[C@H]1CCOC1 TS88345 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.41 C1CC(=C(C1)N)C(=O)O TS36222 [1,1,0,0,0,0|1,0,1]=4 460 B9R1.41 C1CNC(=O)C1C(=O)O TS87543 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O TS59460 [1,1,0,0,0,0|0,0,0]=2 462 B9R1.41 C1CN[C@H]([C@H]1O)C(=O)O TS05633 [1,1,0,0,0,0|0,0,0]=2 463 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS36408 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS85102 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.41 C1C[C@H]([C@H](C1)O)C(=O)N TS36404 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.41 CC(=O)C1CCCC1=O TS36123 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.41 CN1CCC[C@H]1C(=O)O TS01601 [1,1,0,0,0,0|0,0,0]=2 468 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O TS46518 [1,1,0,0,0,0|0,0,0]=2 469 B9R1.163 C1CCC(C1)(C(=O)N)N TS46842 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.163 C1CCC(C1)(C(=O)O)N TS46849 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.163 C1CNCC1(C(=O)O)F TS90996 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.163 C1CNCC1(C(=O)O)N TS36481 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.163 C1COCC1(C(=O)O)N TS05648 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.163 C1CSCC1(C(=O)O)N TS07359 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.163 CC(=O)C1(CCCC1)O TS36306 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.163 CC1(CCCC1)C(=O)O TS36307 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.163 CC1(CCOC1)C(=O)O TS87502 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.163 C[C@@]1(CCCN1)C(=O)O TS87578 [1,1,0,0,0,0|0,0,0]=2 479 B9R1.163 C[C@]1(CCCN1)C(=O)O TS36416 [1,1,0,0,0,0|0,0,0]=2 480 B9R1.163 C[C@]1(CCCN1)C(=O)O TS91531 [1,1,0,0,0,0|0,0,0]=2 481 B9R1.82 COC(=O)C1CC(=C)C1 TS88785 [0,1,0,0,1,0|1,0,1]=4 482 B9R1.82 COC(=O)C1CC(=O)C1 TS91060 [0,1,0,0,1,0|0,0,2]=4 483 B9R1.82 COC(=O)C1CC(C1)Cl TS87869 [0,1,0,0,1,0|1,0,0]=3 484 B9R1.82 COC(=O)C1CC(C1)O TS78287 [0,1,0,0,1,0|0,0,0]=2 485 B9R1.82 COC(=O)C1CC(C1)O TS91487 [0,1,0,0,1,0|0,0,0]=2 486 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N TS91360 [0,1,0,0,1,0|1,0,0]=3 487 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O TS85937 [0,1,0,0,1,0|0,0,0]=2 488 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N TS86335 [0,1,0,0,1,0|1,0,0]=3 489 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O TS87196 [0,1,0,0,1,0|0,0,0]=2 490 B9R1.95 C1C(CC1C(=O)O)CN TS91980 [0,1,0,0,1,0|1,0,0]=3 491 B9R1.95 C1C(CC1C(=O)O)CO TS85681 [0,1,0,0,1,0|0,0,0]=2 492 B9R1.95 COC1CC(C1)C(=O)O TS87019 [0,1,0,0,1,0|0,0,0]=2 493 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O TS92359 [0,1,0,0,1,0|0,0,0]=2 494 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O TS87240 [0,1,0,0,1,0|0,0,0]=2 495 B9R1.152 C1C(CC1(C(=O)O)N)F TS88733 [0,1,0,0,1,0|1,0,0]=3 496 B9R1.152 C1[C@@](C[C@@H]1F)(N)C(=O)O TS91990 [0,1,0,0,1,0|1,0,0]=3 497 B9R1.152 C1[C@@](C[C@H]1F)(N)C(=O)O TS92484 [0,1,0,0,1,0|1,0,0]=3 498 B9R1.152 CC1(CC(=C)C1)C(=O)O TS91773 [0,1,0,0,1,0|1,0,1]=4 499 B9R1.152 CC1(CC(=O)C1)C(=O)O TS86052 [0,1,0,0,1,0|0,0,2]=4 500 B9R1.152 C[C@]1(C[C@@H](C1)N)C(=O)O TS91863 [0,1,0,0,1,0|1,0,0]=3 501 B9R1.152 C[C@]1(C[C@H](C1)N)C(=O)O TS89440 [0,1,0,0,1,0|1,0,0]=3 502 B9R1.164 C1C(CC1(F)F)C(=O)O TS90372 [0,1,0,0,1,0|1,0,0]=3 503 B9R1.164 CC1(CC(C1)C(=O)O)C TS36298 [0,1,0,0,1,0|1,0,0]=3 504 B9R1.164 CC1(CC(C1)C(=O)O)O TS86794 [0,1,0,0,1,0|0,0,0]=2 505 B9R1.164 C[C@]1(C[C@@H](C1)C(=O)O)O TS92176 [0,1,0,0,1,0|0,0,0]=2 506 B9R1.164 C[C@]1(C[C@H](C1)C(=O)O)O TS91859 [0,1,0,0,1,0|0,0,0]=2 507 B11R1.3 C1CC(CCC1CO)C(=O)O TS41911 [0,1,0,0,0,1|1,0,0]=3 508 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)O TS10717 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.22 COC(=O)C1CCC(CC1)O TS16568 [0,1,0,0,0,1|1,0,0]=3 510 B11R1.22 COC(=O)C1CCC(CC1)O TS37906 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N TS87375 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)N TS90757 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.22 COC(=O)[C@H]1CC[C@H](CN1)O TS86470 [0,1,0,0,0,1|0,0,0]=2 514 B11R1.22 C[C@@H]1CC[C@@H](CN1)C(=O)OC TS91789 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.727 C1CC(CCC1C(=O)O)(F)F TS09555 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.727 C1CC(CNC1C(=O)O)(F)F TS91764 [0,1,0,0,0,1|1,0,0]=3 517 B11R1.645 C1[C@@H](CN(C1=O)CC(=O)O)O TS11106 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.23 CN1CCNC(C1)C(=O)OC TS10997 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.23 C[C@@H]1C[C@@H](CCN1)C(=O)OC TS92214 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.266 COC1CCNC(C1)C(=O)O TS42021 [0,1,0,0,0,1|0,0,0]=2 521 B11R1.667 CC1CCCC(C1)(C(=O)O)N TS10873 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.730 CC1(CC(CCO1)C(=O)O)C TS41910 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.15 CCOC(=O)[C@@H]1C[C@H](CN1)O TS18141 [0,2,0,0,0,0|0,0,0]=2 524 B11R1.15 CCOC(=O)[C@H]1C[C@H](CN1)O TS42027 [0,2,0,0,0,0|0,0,0]=2 525 B11R1.225 CC1CC(C(=O)C1)C(=O)OC TS10676 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.866 COC(=O)C1CCC(C1)(F)F TS90210 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.866 COC(=O)[C@@H]1CC(CN1)(F)F TS89441 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.866 COC(=O)[C@@H]1CC(CN1)(F)F TS92338 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.866 COC(=O)[C@@H]1CCC(C1)(F)F TS91848 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.866 COC(=O)[C@H]1CC(CN1)(F)F TS92356 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.866 COC(=O)[C@H]1CCC(C1)(F)F TS92462 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.175 C1C(CNC1C(=O)O)C(=O)O TS11108 [0,2,0,0,0,0|0,0,0]=2 533 B11R1.175 C1C(NC(S1)C(=O)O)C(=O)O TS14007 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.175 C1CC(SC1C(=O)O)C(=O)O TS13840 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.175 C1[C@H](CN[C@@H]1C(=O)O)C(=O)O TS11105 [0,2,0,0,0,0|0,0,0]=2 536 B11R1.489 C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C TS42036 [0,2,0,0,0,0|0,0,2]=4 537 B11R1.738 C[C@]1(CC(CN1)(F)F)C(=O)O TS92664 [0,2,0,0,0,0|1,0,0]=3 538 B9R1.6 C1C=CCN[C@@H]1C(=O)O TS36225 [0,0,1,1,0,0|1,0,1]=4 539 B9R1.6 C1CC(CNC1)C(=O)O TS05456 [0,0,1,1,0,0|2,0,0]=4 540 B9R1.6 C1CC(CNC1)C(=O)O TS94707 [0,0,1,1,0,0|2,0,0]=4 541 B9R1.6 C1CC(COC1)C(=O)O TS02098 [0,0,1,1,0,0|1,0,0]=3 542 B9R1.6 C1CC(CSC1)C(=O)O TS91315 [0,0,1,1,0,0|1,1,0]=4 543 B9R1.6 C1CC(NNC1)C(=O)O TS36476 [0,0,1,1,0,0|2,0,0]=4 544 B9R1.6 C1CCNC(C1)C(=O)N TS59354 [0,0,1,1,0,0|2,0,0]=4 545 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [0,0,1,1,0,0|1,0,0]=3 546 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [0,0,1,1,0,0|1,0,0]=3 547 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [0,0,1,1,0,0|1,0,0]=3 548 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [0,0,1,1,0,0|1,0,0]=3 549 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [0,0,1,1,0,0|1,0,0]=3 550 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [0,0,1,1,0,0|1,0,0]=3 551 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [0,0,1,1,0,0|1,0,0]=3 552 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [0,0,1,1,0,0|2,0,0]=4 553 B9R1.6 C1CNC(CN1)C(=O)N TS05465 [0,0,1,1,0,0|2,0,0]=4 554 B9R1.6 C1CNC(CN1)C(=O)O TS02457 [0,0,1,1,0,0|1,0,0]=3 555 B9R1.6 C1CN[C@@H](CN1)C(=O)O TS08013 [0,0,1,1,0,0|1,0,0]=3 556 B9R1.6 C1CN[C@@H](CN1)C(=O)O TS60186 [0,0,1,1,0,0|1,0,0]=3 557 B9R1.6 C1CN[C@H](CN1)C(=O)O TS88452 [0,0,1,1,0,0|1,0,0]=3 558 B9R1.6 C1COC(CN1)C(=O)O TS56326 [0,0,1,1,0,0|2,0,0]=4 559 B9R1.6 C1COC(CO1)C(=O)O TS36638 [0,0,1,1,0,0|1,0,0]=3 560 B9R1.6 C1COCC(N1)C(=O)O TS86226 [0,0,1,1,0,0|0,0,0]=2 561 B9R1.6 C1COC[C@@H](N1)C(=O)O TS88818 [0,0,1,1,0,0|0,0,0]=2 562 B9R1.6 C1COC[C@H](N1)C(=O)O TS90682 [0,0,1,1,0,0|0,0,0]=2 563 B9R1.6 C1CO[C@@H](CN1)C(=O)O TS00324 [0,0,1,1,0,0|2,0,0]=4 564 B9R1.6 C1CSCC(N1)C(=O)O TS07364 [0,0,1,1,0,0|0,1,0]=3 565 B9R1.6 C1CSCC(N1)C(=O)O TS15194 [0,0,1,1,0,0|0,1,0]=3 566 B9R1.6 C1CSC[C@H](N1)C(=O)O TS07358 [0,0,1,1,0,0|0,1,0]=3 567 B9R1.6 C1C[C@@H](CNC1)C(=O)O TS46667 [0,0,1,1,0,0|2,0,0]=4 568 B9R1.6 C1C[C@H](CNC1)C(=O)O TS00308 [0,0,1,1,0,0|2,0,0]=4 569 B9R1.6 C1C[C@H](CNC1)C(=O)O TS59489 [0,0,1,1,0,0|2,0,0]=4 570 B9R1.6 CC(=O)C1CCCCN1 TS59502 [0,0,1,1,0,0|2,0,0]=4 571 B9R1.93 C1[C@@H]([C@]1(C(=O)O)N)CO TS05644 [0,0,1,1,0,0|2,0,0]=4 572 B9R1.33 C1COC(=O)N1CCO TS05635 [0,0,1,1,0,0|2,0,0]=4 573 B9R1.179 C1CC1(CCN)C(=O)O TS36412 [0,0,1,1,0,0|2,0,0]=4 574 B9R1.53 C1C(CC1N)CC(=O)O TS92255 [0,0,1,1,0,0|2,0,0]=4 575 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N TS92551 [0,0,1,1,0,0|2,0,0]=4 576 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N TS92653 [0,0,1,1,0,0|2,0,0]=4 577 B9R2.39 C1C2CC(C1C=C2)O TS04201 [1,0,0,1,0,0|2,0,0]=4 578 B9R2.39 C1C2CNC1C(=O)O2 TS04374 [1,0,0,1,0,0|0,0,0]=2 579 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O TS92147 [1,0,0,1,0,0|1,0,1]=4 580 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O TS91802 [1,0,0,1,0,0|1,0,1]=4 581 B9R2.39 C1C[C@H]2C[C@@H]1C(=O)N2 TS04254 [1,0,0,1,0,0|2,0,0]=4 582 B9R2.70 C1[C@H]2[C@@H]1[C@H](NC2)CO TS86407 [1,0,0,1,0,0|1,0,1]=4 583 B9R2.19 C1C2CNC(=O)C1N2 TS90991 [0,0,0,1,1,0|2,0,0]=4 584 B11R2.1839 C1CC2(CCC1N2)C(=O)O TS46354 [0,0,0,1,0,1|2,0,0]=4 585 B11R2.139 C1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O TS37556 [0,0,0,1,0,1|1,0,0]=3 586 B11R2.845 C1CC2CC1C(N2)C(=O)O TS91569 [0,0,0,1,0,1|2,0,0]=4 587 B11R2.845 C1CC2CC1CC2C(=O)O TS37381 [0,0,0,1,0,1|2,0,0]=4 588 B11R2.845 C1C[C@@H]2C[C@H]1[C@H](N2)C(=O)O TS85640 [0,0,0,1,0,1|2,0,0]=4 589 B11R2.845 C1C[C@H]2C[C@@H]1[C@@H](N2)C(=O)O TS91988 [0,0,0,1,0,1|2,0,0]=4 590 B11R2.1826 C1CNC2(CC1C2)C(=O)O TS85857 [0,0,0,1,0,1|1,0,0]=3 591 B11R2.1826 C1CNC2(CC1C2)C(=O)O TS92520 [0,0,0,1,0,1|1,0,0]=3 592 B11R2.901 COC(=O)C12CC(C1)CN2 TS92877 [0,1,0,1,0,0|1,0,0]=3 593 B11R2.911 COC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1 TS91954 [0,1,0,1,0,0|1,0,0]=3 594 B7R0.16 C(C(=O)O)(C(=O)O)N TS01343 [0,0,1,0,1,0|1,0,1]=4 595 B7R0.16 CC(C(C(=O)O)Br)Br TS27396 [0,0,1,0,1,0|2,0,0]=4 596 B7R0.16 CC(C(C(=O)O)N)F TS04855 [0,0,1,0,1,0|1,0,0]=3 597 B7R0.16 CC(C(C(=O)O)N)N TS32333 [0,0,1,0,1,0|1,0,0]=3 598 B7R0.16 CC(C(C(=O)O)N)O TS32381 [0,0,1,0,1,0|0,0,0]=2 599 B7R0.16 CC(C)C(C(=O)O)Br TS14725 [0,0,1,0,1,0|2,0,0]=4 600 B7R0.16 CC(C)C(C(=O)O)O TS04712 [0,0,1,0,1,0|2,0,0]=4 601 B7R0.16 CC(C)C(C)C(=O)O TS32220 [0,0,1,0,1,0|2,0,0]=4 602 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41225 [0,0,1,0,1,0|2,0,0]=4 603 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41227 [0,0,1,0,1,0|2,0,0]=4 604 B7R0.16 CC(C)[C@@H](C(=O)O)Br TS08097 [0,0,1,0,1,0|2,0,0]=4 605 B7R0.16 CC(C)[C@@H](C(=O)O)Cl TS37075 [0,0,1,0,1,0|2,0,0]=4 606 B7R0.16 CC(C)[C@@H](C(=O)O)N TS94390 [0,0,1,0,1,0|1,0,0]=3 607 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [0,0,1,0,1,0|2,0,0]=4 608 B7R0.16 CC(C)[C@H](C(=O)O)Br TS14723 [0,0,1,0,1,0|2,0,0]=4 609 B7R0.16 CC(C)[C@H](C(=O)O)Cl TS37074 [0,0,1,0,1,0|2,0,0]=4 610 B7R0.16 CC(C)[C@H](C(=O)O)N TS59535 [0,0,1,0,1,0|1,0,0]=3 611 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)N TS51239 [0,0,1,0,1,0|1,0,0]=3 612 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O TS32386 [0,0,1,0,1,0|0,0,0]=2 613 B7R0.16 C[C@@H]([C@H](C(=O)O)N)N TS51241 [0,0,1,0,1,0|1,0,0]=3 614 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O TS39862 [0,0,1,0,1,0|0,0,0]=2 615 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O TS41461 [0,0,1,0,1,0|1,0,0]=3 616 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N TS51240 [0,0,1,0,1,0|1,0,0]=3 617 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O TS74521 [0,0,1,0,1,0|0,0,0]=2 618 B7R1.10 C1C(CC1Cl)CO TS91726 [1,0,0,0,1,0|1,0,1]=4 619 B7R1.10 C1C(CC1N)CO TS87423 [1,0,0,0,1,0|1,0,1]=4 620 B7R1.10 C1C(CC1N)CO TS88341 [1,0,0,0,1,0|1,0,1]=4 621 B7R1.10 C1C(CC1O)CN TS86399 [1,0,0,0,1,0|1,0,1]=4 622 B7R1.10 C1[C@@H](C[C@@H]1CN)O TS89746 [1,0,0,0,1,0|1,0,1]=4 623 B7R1.10 C1[C@@H](C[C@@H]1CN)O TS91914 [1,0,0,0,1,0|1,0,1]=4 624 B7R1.10 C1[C@@H](C[C@@H]1CO)N TS87875 [1,0,0,0,1,0|1,0,1]=4 625 B7R1.10 C1[C@@H](C[C@@H]1CO)N TS89745 [1,0,0,0,1,0|1,0,1]=4 626 B7R1.10 C1[C@@H](C[C@H]1CN)O TS85823 [1,0,0,0,1,0|1,0,1]=4 627 B7R1.10 C1[C@@H](C[C@H]1CN)O TS92762 [1,0,0,0,1,0|1,0,1]=4 628 B7R1.10 C1[C@@H](C[C@H]1CO)N TS87600 [1,0,0,0,1,0|1,0,1]=4 629 B7R1.10 C1[C@@H](C[C@H]1CO)N TS91749 [1,0,0,0,1,0|1,0,1]=4 630 B7R1.10 CNC1CC(C1)O TS92151 [1,0,0,0,1,0|2,0,0]=4 631 B7R1.10 CN[C@H]1C[C@@H](C1)O TS89410 [1,0,0,0,1,0|2,0,0]=4 632 B7R1.10 CN[C@H]1C[C@H](C1)O TS91820 [1,0,0,0,1,0|2,0,0]=4 633 B7R1.18 C1C(CN1)C(=O)N TS86704 [1,0,0,0,1,0|2,0,0]=4 634 B7R1.18 C1C(CN1)C(=O)N TS88630 [1,0,0,0,1,0|2,0,0]=4 635 B7R1.18 C1C(CN1)C(=O)O TS06212 [1,0,0,0,1,0|1,0,0]=3 636 B7R1.18 C1C(CN1)C(=O)O TS55737 [1,0,0,0,1,0|1,0,0]=3 637 B7R1.18 C1C(CO1)C(=O)O TS87729 [1,0,0,0,1,0|1,0,0]=3 638 B7R1.18 C1CC(C1)C(=N)N TS88293 [1,0,0,0,1,0|2,0,0]=4 639 B7R1.18 C1CC(C1)C(=O)Cl TS22945 [1,0,0,0,1,0|1,0,0]=3 640 B7R1.18 C1CC(C1)C(=O)N TS03818 [1,0,0,0,1,0|1,0,0]=3 641 B7R1.18 C1CC(C1)C(=O)O TS22946 [1,0,0,0,1,0|0,0,0]=2 642 B7R1.18 C1CC(C1)C(=O)[O-] TS39115 [1,0,0,0,1,0|0,0,1]=3 643 B7R1.18 C1CNC1C(=O)N TS03852 [1,0,0,0,1,0|1,0,0]=3 644 B7R1.18 C1CNC1C(=O)O TS31540 [1,0,0,0,1,0|0,0,0]=2 645 B7R1.18 C1CNC1C(=O)O TS86021 [1,0,0,0,1,0|0,0,0]=2 646 B7R1.18 C1CN[C@@H]1C(=O)O TS08096 [1,0,0,0,1,0|0,0,0]=2 647 B7R1.18 C1CN[C@@H]1C(=O)O TS37132 [1,0,0,0,1,0|0,0,0]=2 648 B7R1.18 C1CN[C@H]1C(=O)O TS01418 [1,0,0,0,1,0|0,0,0]=2 649 B7R1.18 C1COC1C(=O)O TS32718 [1,0,0,0,1,0|1,0,0]=3 650 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O TS91377 [0,0,0,0,2,0|1,0,0]=3 651 B7R1.12 C1[C@@H]([C@H]1F)C(=O)Cl TS04937 [0,0,0,0,2,0|2,0,0]=4 652 B9R0.4 CCCCC(C)CC(=O)O TS40195 [0,0,1,0,0,1|2,0,0]=4 653 B9R0.4 CCCC[C@@H](C)CC(=O)O TS40197 [0,0,1,0,0,1|2,0,0]=4 654 B9R0.4 CCCC[C@H](C)CC(=O)O TS40208 [0,0,1,0,0,1|2,0,0]=4 655 B9R0.14 CCCC(CC)CC(=O)O TS40205 [0,0,1,0,0,1|2,0,0]=4 656 B9R0.55 CC(C)CCCCC(=O)O TS65177 [0,0,1,0,0,1|2,0,0]=4 657 B9R1.2 C1CNC(CC1C=O)Br TS51394 [1,0,0,0,0,1|2,0,0]=4 658 B9R1.13 C1CCC(C1)CC(=O)Cl TS07289 [1,0,0,0,0,1|2,0,0]=4 659 B9R1.13 C1CCC(C1)CC(=O)O TS27085 [1,0,0,0,0,1|1,0,0]=3 660 B9R1.13 C1CCC(C1)OC(=O)Cl TS16795 [1,0,0,0,0,1|2,0,0]=4 661 B9R1.13 C1CNCC1CC(=O)O TS86561 [1,0,0,0,0,1|2,0,0]=4 662 B9R1.13 C1CNC[C@@H]1CC(=O)O TS91621 [1,0,0,0,0,1|2,0,0]=4 663 B9R1.13 C1CNC[C@H]1CC(=O)O TS88661 [1,0,0,0,0,1|2,0,0]=4 664 B9R1.13 C1C[C@@H](NC1)CC(=O)O TS91258 [1,0,0,0,0,1|0,0,0]=2 665 B9R1.13 C1C[C@H](NC1)CC(=O)O TS36411 [1,0,0,0,0,1|0,0,0]=2 666 B9R1.13 CC(=O)CC1CCCC1 TS05185 [1,0,0,0,0,1|2,0,0]=4 667 B11R1.20 CC(=O)NC1CCC(CC1)O TS10867 [0,0,0,0,0,2|2,0,0]=4 668 B11R1.20 C[C@H]1CC[C@@H](CC1)CC(=O)O TS41634 [0,0,0,0,0,2|2,0,0]=4