0 B7R0.6 CC(=O)OCC(C)O P36972 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(C)=CCC(=O)O P43260 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.6 CC(C)OCC(=O)O P38749 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.6 O=C(O)CCC(F)F S72753 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 CCNCC(=O)O P37534 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.4 CCNCC(N)=O P36580 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CNCCC(=O)O P36779 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 CNCCC(=O)O P39205 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 O=C(O)\C=C\CBr P41388 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.4 O=C\C=C\B(O)O M24059 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.9 CCC(C)OCC(=O)O P34749 [0,1,0,0,0,0|1,0,1]=3 12 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,1,0,0,0,0|0,0,2]=3 13 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,1,0,0,0,0|0,0,2]=3 16 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,1,0,0,0,0|0,0,2]=3 17 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,1,0,0,0,0|0,0,2]=3 18 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,1,0,0,0,0|0,0,2]=3 19 B8R0.23 CC(C)\C=C(/F)C(=O)O F-4311 [0,1,0,0,0,0|0,0,0]=1 20 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.29 CC(C)(C)NCC(=O)O P37230 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.29 CC(C)(C)OCC(=O)O P41693 [0,1,0,0,0,0|1,0,1]=3 25 B8R1.3 CC1=NN=C(O)C=C1 C-2282 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.3 CC1=NNC(=O)C=C1 I-9165 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.3 CC1CCC(=O)NC1 L13409 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.3 CC1CNC(=O)CN1 P35228 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,0,1,0,0|0,0,2]=3 37 B8R1.23 CC(C)C1CC(=O)N1 P45240 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,0,0,1,0,0|0,0,2]=3 39 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,0,0,1,0,0|0,0,2]=3 41 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,0,0,1,0,0|0,0,2]=3 42 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.23 NC1CC(C(=O)O)C1 P47808 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.23 O=C(O)C1CC(O)C1 A-876 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [0,0,0,1,0,0|1,0,2]=4 55 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.35 O=C(O)CCC1CC1 P37405 [0,0,0,1,0,0|0,0,2]=3 57 B8R1.35 O=C(O)\C=C\C1CC1 L14104 [0,0,0,1,0,0|0,0,0]=1 58 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.51 CC1(C)CNC(=O)C1 P36730 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.51 CC1(C)COC(=O)N1 C-3461 [0,0,0,1,0,0|2,0,1]=4 65 B6R0.2 CC(=O)NC(C)C P50955 [0,0,0,0,1,0|2,0,0]=3 66 B6R0.2 CC(C)C[C@@H](C)O Q70085 [0,0,0,0,1,0|1,0,2]=4 67 B6R0.2 CC(O)CC(=O)O P38963 [0,0,0,0,1,0|1,0,1]=3 68 B6R0.2 CN(C)CC(N)=O P36935 [0,0,0,0,1,0|2,0,1]=4 69 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,0,0,0,1,0|1,0,1]=3 70 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,0,0,0,1,0|1,0,1]=3 71 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,0,0,0,1,0|1,0,1]=3 72 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,0,0,0,1,0|1,0,1]=3 73 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,0,0,0,1,0|1,0,1]=3 74 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [0,0,0,0,0,1|1,0,0]=2 75 B8R0.28 CC(C)CNCC(=O)O P38861 [0,0,0,0,0,1|0,0,2]=3 76 B8R0.28 CN(C)C\C=C\C(=O)O K12319 [0,0,0,0,0,1|1,0,0]=2 77 B5R0.1 C\C=C\B(O)O M24053 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.2 C=CC(=O)CC(C)C L19279 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.2 CCC(=O)CC(=O)O P43007 [1,1,0,0,0,0|0,0,1]=3 81 B7R0.2 CCC(=O)CC(C)=O O31794 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [1,1,0,0,0,0|0,0,2]=4 83 B7R0.2 CC[C@H](N)CC(=O)O M23203 [1,1,0,0,0,0|0,0,2]=4 84 B7R0.2 CNC(=O)CC(=O)O P38150 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.3 CC\C=C\C(=O)OC Q70108 [1,1,0,0,0,0|0,0,0]=2 86 B7R0.4 COCCCC(=O)O P39031 [1,1,0,0,0,0|0,0,2]=4 87 B7R0.4 NCCNCC(=O)O O28634 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.4 NCCOCC(=O)O P35961 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.5 CCC[C@H](O)C(=O)O P51274 [1,1,0,0,0,0|0,0,2]=4 90 B7R0.5 CCNC(C)C(=O)O P36832 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.5 CCN[C@H](C)C(=O)O P35138 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.5 CCOC(=O)C(=O)O P37044 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,1,0,0,1,0|1,0,1]=4 95 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,1,0,0,1,0|0,0,1]=3 96 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,1,0,0,1,0|1,0,1]=4 97 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,1,0,0,1,0|1,0,1]=4 98 B9R0.7 CC(C)=CCC(N)C(=O)O O28923 [0,1,0,0,0,1|0,0,2]=4 99 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O O28478 [0,1,0,0,0,1|0,0,2]=4 100 B9R0.7 CC(C)=CC[C@H](N)C(=O)O O28749 [0,1,0,0,0,1|0,0,2]=4 101 B9R0.7 CC(C)CC[C@@H](N)C(=O)O P41429 [0,1,0,0,0,1|0,0,2]=4 102 B9R0.7 CC(C)CC[C@H](N)C(=O)O M22613 [0,1,0,0,0,1|0,0,2]=4 103 B9R0.7 CN(C)C(=O)\C=C\C(=O)O L18912 [0,1,0,0,0,1|1,0,0]=3 104 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O P38303 [0,1,0,0,0,1|1,0,1]=4 105 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68973 [0,1,0,0,0,1|0,0,2]=4 106 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68975 [0,1,0,0,0,1|0,0,2]=4 107 B9R0.53 CC(C)C[C@H](N)CC(=O)O P39532 [0,1,0,0,0,1|0,0,2]=4 108 B9R0.53 CC(C)C[C@H](N)CC(=O)O Q68972 [0,1,0,0,0,1|0,0,2]=4 109 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68967 [0,2,0,0,0,0|0,0,2]=4 110 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68970 [0,2,0,0,0,0|0,0,2]=4 111 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [0,2,0,0,0,0|0,0,2]=4 112 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [0,2,0,0,0,0|0,0,2]=4 113 B9R0.42 COC(=O)C[C@H](N)C(C)C Q68995 [0,2,0,0,0,0|0,0,2]=4 114 B9R0.11 CC(C)CC(C)(N)C(=O)O P41237 [0,2,0,0,0,0|0,0,2]=4 115 B9R0.11 CC(C)C[C@](C)(N)C(=O)O Q66110 [0,2,0,0,0,0|0,0,2]=4 116 B9R0.39 CC(C)CC(CN)C(=O)O P43094 [0,2,0,0,0,0|0,0,2]=4 117 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69039 [0,2,0,0,0,0|0,0,2]=4 118 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69042 [0,2,0,0,0,0|0,0,2]=4 119 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69043 [0,2,0,0,0,0|0,0,2]=4 120 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69046 [0,2,0,0,0,0|0,0,2]=4 121 B9R0.39 CC(C)\C=C(/C#N)C(=O)O K12223 [0,2,0,0,0,0|0,0,0]=2 122 B9R0.39 CN[C@@H](CC(C)C)C(=O)O P36732 [0,2,0,0,0,0|0,0,2]=4 123 B9R0.39 CN[C@H](CC(C)C)C(=O)O F-4647 [0,2,0,0,0,0|0,0,2]=4 124 B9R0.57 CC(C)(C)CC(N)C(=O)O P42786 [0,2,0,0,0,0|0,0,2]=4 125 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O P35494 [0,2,0,0,0,0|0,0,2]=4 126 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O P37339 [0,2,0,0,0,0|0,0,2]=4 127 B9R0.57 CC(NC(C)(C)C)C(=O)O L19939 [0,2,0,0,0,0|1,0,1]=4 128 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68917 [0,2,0,0,0,0|0,0,2]=4 129 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68920 [0,2,0,0,0,0|0,0,2]=4 130 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q68921 [0,2,0,0,0,0|0,0,2]=4 131 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.2 CN1C=CC(=O)N1 Q61559 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|1,0,1]=4 136 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.2 O=C1C=CC(O)C1 O30118 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.2 O=C1C=C[C@H](O)C1 Q54463 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.2 O[C@@H]1C=C[C@@H](F)C1 Q63540 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.2 O[C@@H]1C=C[C@H](F)C1 Q63539 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.2 O[C@@H]1C=C[C@H](O)C1 Q54369 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.2 O[C@H]1C=C[C@@H](F)C1 Q63538 [1,0,0,1,0,0|1,0,1]=4 143 B7R1.2 O[C@H]1C=C[C@H](F)C1 Q63541 [1,0,0,1,0,0|1,0,1]=4 144 B7R1.3 O=C1C=CCCN1 O34600 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.3 O=C1C=CCOC1 L22520 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.3 O=C1C=COCC1 Q54629 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.3 O=C1CNCCO1 O28295 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.3 O=C1OCCCO1 P43743 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.3 OC1C=CCOC1 Q63933 [1,0,0,1,0,0|1,0,1]=4 150 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.3 O[C@H]1C=CCOC1 Q63934 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|0,0,2]=4 153 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|0,0,2]=4 154 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|0,0,2]=4 155 B7R1.17 CC1(C)CCC1=O Q54759 [1,0,0,1,0,0|0,0,2]=4 156 B7R1.17 CC1(C)CNC1=O P45241 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.17 CC1(C)OCC1=O L22440 [1,0,0,1,0,0|1,0,1]=4 158 B7R1.18 O=C(O)C1CCN1 B-1112 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.18 O=C(O)C1CCO1 D-2702 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [1,0,0,1,0,0|1,0,1]=4 165 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.18 O=C([O-])C1=CCC1 P50045 [1,0,0,1,0,0|0,0,1]=3 167 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|0,0,2]=4 168 B7R1.16 CC1(C)CC(=O)C1 L21874 [0,0,0,1,1,0|1,0,1]=4 169 B7R1.16 CC1(C)CC(=O)N1 P45568 [0,0,0,1,1,0|1,0,1]=4 170 B9R1.35 CC(C)C1=NC(Br)=CS1 M23841 [0,0,0,1,0,1|2,0,0]=4 171 B9R1.35 CC(C)C1=NC=C(Br)S1 O33541 [0,0,0,1,0,1|1,1,0]=4 172 B9R1.35 CC(C)N1C=C(O)C=N1 Q61946 [0,0,0,1,0,1|2,0,0]=4 173 B9R1.35 CC(C)N1C=CC(N)=N1 L18259 [0,0,0,1,0,1|2,0,0]=4 174 B9R1.35 CC(C)N1C=CC(O)=N1 O29759 [0,0,0,1,0,1|1,0,0]=3 175 B9R1.35 CC1=CC(C(=O)O)=CN1 M15493 [0,0,0,1,0,1|0,0,2]=4 176 B9R1.35 CC1=CC(C(=O)O)=CS1 I-9860 [0,0,0,1,0,1|0,0,2]=4 177 B9R1.35 CC1=CC=C([C@@H](C)N)O1 P43691 [0,0,0,1,0,1|2,0,0]=4 178 B9R1.35 CC1=CNC(C(C)C)=N1 P51555 [0,0,0,1,0,1|2,0,0]=4 179 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [0,0,0,1,0,1|0,0,2]=4 180 B9R1.35 CC1=CSC(C(=O)O)=C1 G-7586 [0,0,0,1,0,1|0,0,2]=4 181 B9R1.35 CN1C=C(C(=O)O)C=N1 G-5543 [0,0,0,1,0,1|1,0,1]=4 182 B9R1.35 CN1C=CC(C(=O)O)=N1 K12250 [0,0,0,1,0,1|2,0,0]=4 183 B9R1.35 CN1C=NC(C(=O)O)=C1 G-5691 [0,0,0,1,0,1|1,0,1]=4 184 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 Q52337 [0,0,0,1,0,1|0,0,2]=4 185 B9R1.53 CC1CC(CC(=O)O)C1 P49313 [0,0,0,1,0,1|0,0,2]=4 186 B9R1.53 CC1CN(CC(=O)O)C1 P47055 [0,0,0,1,0,1|0,0,2]=4 187 B9R1.53 CC1CN(CC(=O)O)C1 P47914 [0,0,0,1,0,1|0,0,2]=4 188 B9R1.85 O=C(O)COCC1CC1 P39397 [0,0,0,1,0,1|0,0,2]=4 189 B9R1.166 CC1(C)CCC1C(=O)O P45623 [0,0,0,1,0,1|0,0,2]=4 190 B9R1.166 CC1(C)CN[C@@H]1C(=O)O L13876 [0,0,0,1,0,1|0,0,2]=4 191 B9R1.166 CC1(C)CN[C@H]1C(=O)O P46143 [0,0,0,1,0,1|0,0,2]=4 192 B9R1.166 CC1(C)OCC1C(=O)O Q52795 [0,0,0,1,0,1|0,0,2]=4 193 B9R1.55 CN1CC(C(=O)O)C1=O P45627 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.67 CC1CCN1CC(=O)O P47040 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.67 CC1CCN1CC(=O)O P47963 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.80 COC(=O)CNC1CC1 L20586 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.80 COC(=O)CNC1CC1 P36966 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.80 COC(=O)\C=C\C1CC1 O29404 [0,1,0,1,0,0|0,0,0]=2 200 B9R1.84 O=C(O)C#CC1CCC1 P48727 [0,1,0,1,0,0|0,0,2]=4 201 B9R1.84 O=C(O)CCC1CCC1 P34709 [0,1,0,1,0,0|0,0,2]=4 202 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,1,0,1,0,0|0,0,2]=4 203 B9R1.84 O=C(O)CNC1CCC1 I-9681 [0,1,0,1,0,0|1,0,1]=4 204 B9R1.84 O=C(O)COC1CCC1 P44175 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.84 O=C(O)\C=C\C1CCC1 P44576 [0,1,0,1,0,0|0,0,0]=2 206 B9R1.86 CCC1CC1CC(=O)O O32172 [0,1,0,1,0,0|0,0,2]=4 207 B9R1.95 CCC1CC(C(=O)O)C1 P45348 [0,1,0,1,0,0|0,0,2]=4 208 B9R1.95 CNC1CC(C(=O)O)C1 P48460 [0,1,0,1,0,0|0,0,2]=4 209 B9R1.95 COC1CC(C(=O)O)C1 F-4385 [0,1,0,1,0,0|0,0,2]=4 210 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 G-7356 [0,1,0,1,0,0|0,0,2]=4 211 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 G-7357 [0,1,0,1,0,0|0,0,2]=4 212 B9R1.95 NCC1CC(C(=O)O)C1 L14512 [0,1,0,1,0,0|0,0,2]=4 213 B9R1.95 NCC1CC(C(=O)O)C1 P48866 [0,1,0,1,0,0|0,0,2]=4 214 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48252 [0,1,0,1,0,0|0,0,2]=4 215 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48255 [0,1,0,1,0,0|0,0,2]=4 216 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 P47233 [0,1,0,1,0,0|0,0,2]=4 217 B9R1.95 O=C(O)C1CC(CBr)C1 P49897 [0,1,0,1,0,0|0,0,2]=4 218 B9R1.95 O=C(O)C1CC(CF)C1 P47785 [0,1,0,1,0,0|0,0,2]=4 219 B9R1.95 O=C(O)C1CC(CO)C1 D-2561 [0,1,0,1,0,0|0,0,2]=4 220 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 P47160 [0,1,0,1,0,0|0,0,2]=4 221 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 P47223 [0,1,0,1,0,0|0,0,2]=4 222 B9R1.138 CC1(C)CNC(=O)C1O Q61925 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.112 C\C(=C/C1CC1)C(=O)O O29378 [0,1,0,1,0,0|0,0,0]=2 224 B9R1.112 NC(CC1CC1)C(=O)O O28074 [0,1,0,1,0,0|0,0,2]=4 225 B9R1.112 N[C@@H](CC1CC1)C(=O)O O28950 [0,1,0,1,0,0|0,0,2]=4 226 B9R1.112 N[C@H](CC1CC1)C(=O)O O28870 [0,1,0,1,0,0|0,0,2]=4 227 B9R1.112 O=C(O)[C@@H](O)CC1CC1 P38965 [0,1,0,1,0,0|0,0,2]=4 228 B9R1.112 O=C(O)[C@H](O)CC1CC1 P40522 [0,1,0,1,0,0|0,0,2]=4 229 B9R1.137 C\C(=C\C(=O)O)C1CC1 O30728 [0,1,0,1,0,0|0,0,0]=2 230 B9R1.137 NC(CC(=O)O)C1CC1 P38780 [0,1,0,1,0,0|0,0,2]=4 231 B9R1.137 O=C(O)CC(=O)C1CC1 F-4421 [0,1,0,1,0,0|0,0,1]=3 232 B9R1.152 CC1CC(C)(C(=O)O)C1 P45152 [0,1,0,1,0,0|0,0,2]=4 233 B9R1.152 CC1CC(N)(C(=O)O)C1 P47365 [0,1,0,1,0,0|0,0,2]=4 234 B9R1.164 CC1(C)C=C(C(=O)O)C1 G-5685 [0,1,0,1,0,0|0,0,0]=2 235 B9R1.164 CC1(C)CC(C(=O)O)C1 G-7355 [0,1,0,1,0,0|0,0,2]=4 236 B9R1.164 CC1(F)CC(C(=O)O)C1 L13213 [0,1,0,1,0,0|0,0,2]=4 237 B9R1.164 CC1(O)CC(C(=O)O)C1 L13034 [0,1,0,1,0,0|0,0,2]=4 238 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 L18045 [0,1,0,1,0,0|0,0,2]=4 239 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 L21324 [0,1,0,1,0,0|0,0,2]=4 240 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 I-9401 [0,1,0,1,0,0|0,0,2]=4 241 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 G-6555 [0,1,0,1,0,0|0,0,2]=4 242 B9R2.145 O=C(O)C12CC(C1)C2 L13918 [0,0,0,2,0,0|0,0,2]=4 243 B9R2.143 O=C(O)C1CC12CC2 L18059 [0,0,0,2,0,0|0,0,2]=4 244 B5R0.5 CC(C)S(N)=O O29745 [0,0,0,0,2,0|2,0,0]=4 245 B5R0.5 CC(N)C(N)=O P37963 [0,0,0,0,2,0|2,0,0]=4 246 B5R0.5 CC(O)C(N)=O P39940 [0,0,0,0,2,0|2,0,0]=4 247 B5R0.5 C[C@@H](O)C(N)=O P37171 [0,0,0,0,2,0|2,0,0]=4