0 B7R0.2 CCC(=O)CC(=O)O P43007 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.2 CCC(=O)CC(C)=O O31794 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.2 CC[C@H](N)CN(C)C Q66181 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.2 CNC(=O)CC(=O)O P38150 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.2 NCC(O)CC(=O)O P35068 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCC(S)CCO O29430 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.1 CCN(C)CCO Q66070 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.2 CC(=O)NC(C)C P50955 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.2 CC(C)C[C@@H](C)O Q70085 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.2 CC(O)CC(=O)O P38963 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.2 CN(C)CC(N)=O P36935 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CCNCC(=O)O P37534 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.4 CCNCC(N)=O P36580 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CNCCC(=O)O P36779 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.4 CNCCC(=O)O P39205 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.4 CNCCC(C)O P38146 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CNCCC(N)=O P37896 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 O=C(O)\C=C\CBr P41388 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 O=CNCC(=O)O P39379 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 [N-]=[N+]=NCC(=O)O P40297 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,1,0,0,0,0|0,0,0]=1 32 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,1,0,0,0,0|0,0,0]=1 33 B8R0.5 C=CC[C@@H](N)CC(=O)O Q69101 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.5 COCC(O)CC(=O)O F-4460 [0,1,0,0,0,0|1,0,0]=2 36 B8R0.16 CCN(CC)CC(=O)O P40850 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.23 CC(=O)N(C)CC(=O)O P37214 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.24 CCC(C)OS(C)(=O)=O L13589 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.34 COC(C)(C)CC(=O)O O32626 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,0,0,1,0,0|0,0,2]=3 51 B8R1.1 CNC1CNC(=O)C1 L19088 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.1 COC1CCC(O)C1 Q57014 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.1 NCC1CNC(=O)O1 L13152 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.1 NCC1COC(=O)N1 L13942 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.1 O=C1CC(CO)CN1 M22864 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.1 O=C1CCC(CO)N1 M23573 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,0,0,1,0,0|2,1,0]=4 94 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,0,0,1,0,0|2,1,0]=4 96 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.4 CC1CC(=O)CCO1 A-836 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.4 CC1CC(N)CCO1 A-878 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.4 CC1CC(O)CCN1 G-7300 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.4 CC1CC(O)CCN1 L21311 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.4 CC1CC(O)CCO1 A-877 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.4 CC1CCNC(=O)C1 L13355 [0,0,0,1,0,0|1,0,0]=2 106 B8R1.4 CN1CCC=C(Br)C1 M23512 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.4 CN1CCCC(O)C1 C-3297 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,0,0,1,0,0|1,0,0]=2 111 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,0,0,1,0,0|1,0,1]=3 115 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,0,0,1,0,0|1,0,1]=3 116 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,0,0,1,0,0|1,0,1]=3 119 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,0,0,1,0,0|1,0,1]=3 120 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,0,0,1,0,0|1,0,1]=3 130 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,0,0,1,0,0|1,0,1]=3 132 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 NC1CCCC(=O)C1 P48005 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.4 NC1CCCC(O)C1 F-4485 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.4 NC1CCCC(O)C1 P51354 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.4 NC1COCC(=O)C1 P46448 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.4 NC1COCC(=O)C1 Q61511 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.4 O=C1CCCC(F)C1 P43987 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.4 O=C1CCCC(O)C1 L18346 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,0,0,1,0,0|1,0,1]=3 159 B8R1.4 O=C1COCC(F)C1 Q54617 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.4 O=C1COCC(O)C1 Q54616 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,0,1,0,0|0,0,0]=1 163 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,0,0,1,0,0|1,0,0]=2 164 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,0,0,1,0,0|1,0,0]=2 165 B8R1.31 CC(O)C1CCC1F P45994 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.31 CC1CCC1C(=O)O P45629 [0,0,0,1,0,0|0,0,0]=1 167 B8R1.31 CC1NCC1C(=O)O L22133 [0,0,0,1,0,0|1,0,0]=2 168 B8R1.31 CN1CCC1C(=O)O P49637 [0,0,0,1,0,0|1,0,0]=2 169 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,0,0,1,0,0|1,0,0]=2 170 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,0,0,1,0,0|1,0,0]=2 171 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,0,0,1,0,0|1,0,0]=2 172 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.31 NC(=O)C1CCC1N F-4228 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.31 NC1CCC1C(=O)O P47809 [0,0,0,1,0,0|1,0,0]=2 176 B8R1.31 NC1COC1C(=O)O Q56135 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,0,0,1,0,0|1,0,0]=2 178 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,0,0,1,0,0|1,0,0]=2 179 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,0,0,1,0,0|1,0,0]=2 180 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,0,0,1,0,0|1,0,0]=2 181 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.31 O=C(O)C1CCC1F P47126 [0,0,0,1,0,0|1,0,0]=2 191 B8R1.31 O=C(O)C1CCC1O P49194 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.31 O=C(O)C1CNC1=O P47917 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.31 O=C(O)[C@@H]1CNC1=O P46680 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.31 O=C(O)[C@H]1CNC1=O P46158 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.34 CC(=O)CC1CCC1 P48892 [0,0,0,1,0,0|1,0,0]=2 197 B8R1.34 CC(=O)NC1CNC1 G-5840 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.34 CC(=O)NC1CNC1 P44173 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.34 CC(=O)OC1CNC1 P42388 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.34 CC(=O)SC1CNC1 C-3406 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.34 CC(=O)SC1CNC1 P50614 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.34 CC(O)CN1CCC1 P47869 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.34 N=C(N)CC1CCC1 P48135 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.34 NC(=O)CC1CNC1 P47102 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.34 NC(=O)CC1CNC1 P48716 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.34 NC(=O)NC1CCC1 P45216 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.34 NC(=S)NC1CCC1 P45454 [0,0,0,1,0,0|2,1,0]=4 208 B8R1.34 O=C(O)C=C1CCC1 G-6914 [0,0,0,1,0,0|0,0,2]=3 209 B8R1.34 O=C(O)C=C1CNC1 P45911 [0,0,0,1,0,0|1,0,2]=4 210 B8R1.34 O=C(O)CC1CCC1 P44572 [0,0,0,1,0,0|0,0,0]=1 211 B8R1.34 O=C(O)CC1CCN1 P44826 [0,0,0,1,0,0|1,0,0]=2 212 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,0,0,1,0,0|1,0,0]=2 213 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,0,0,1,0,0|1,0,0]=2 214 B8R1.34 O=C(O)CC1CNC1 M22650 [0,0,0,1,0,0|1,0,0]=2 215 B8R1.34 O=C(O)CC1CNC1 P46867 [0,0,0,1,0,0|1,0,0]=2 216 B8R1.34 O=C(O)CC1COC1 F-4181 [0,0,0,1,0,0|1,0,0]=2 217 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,0,0,1,0,0|1,0,0]=2 218 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,0,0,1,0,0|1,0,0]=2 219 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,0,0,1,0,0|1,0,0]=2 220 B8R1.43 N#CC1CC1C(=O)O P43783 [0,0,0,1,0,0|1,0,1]=3 221 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O L14217 [0,0,0,1,0,0|1,0,1]=3 222 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O L22404 [0,0,0,1,0,0|1,0,1]=3 223 B8R1.43 NCC1CC1C(=O)O Q52566 [0,0,0,1,0,0|1,0,0]=2 224 B8R1.51 CC1(O)CCC(N)C1 P50831 [0,0,0,1,0,0|2,0,1]=4 225 B8R1.51 CC1(O)CCC(N)C1 Q56519 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.51 C[C@]1(O)CC[C@@H](N)C1 Q56976 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.51 NC1CCS(=O)(=O)C1 M15812 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.51 O=S1(=O)CCC(O)C1 P41760 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.53 CC1(O)CC(CN)C1 P43903 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.53 CC1(O)CC(CN)C1 P45971 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.53 CNC1CS(=O)(=O)C1 Q54764 [0,0,0,1,0,0|2,0,1]=4 232 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 L13403 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.53 C[C@]1(O)C[C@H](CN)C1 G-7983 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.53 C[C@]1(O)C[C@H](CN)C1 P50097 [0,0,0,1,0,0|2,0,1]=4 235 B8R1.53 NCC1CS(=O)(=O)C1 Q62797 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.53 O=S1(=O)CC(CO)C1 Q62790 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.62 CC1(C#N)CC(=O)C1 L14878 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.62 CC1(CO)CC(=O)C1 G-7478 [0,0,0,1,0,0|2,0,0]=3 239 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [0,0,0,0,1,0|0,0,2]=3 240 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [0,0,0,0,1,0|0,0,2]=3 241 B6R0.3 CCC(C)C(C)N O31127 [0,0,0,0,1,0|2,0,1]=4 242 B6R0.3 CCC(N)C(C)O L20519 [0,0,0,0,1,0|2,0,1]=4 243 B6R0.3 CCC(N)C(N)=O P35312 [0,0,0,0,1,0|2,0,0]=3 244 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [0,0,0,0,1,0|1,0,0]=2 245 B6R0.3 CC[C@@H](O)C(=O)O P40022 [0,0,0,0,1,0|1,0,0]=2 246 B6R0.3 CC[C@H](Br)C(=O)O P45751 [0,0,0,0,1,0|1,0,0]=2 247 B6R0.3 CC[C@H](O)C(=O)O P38746 [0,0,0,0,1,0|1,0,0]=2 248 B6R0.3 CNC(C)C(N)=O P41317 [0,0,0,0,1,0|2,0,0]=3 249 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [0,0,0,0,1,0|1,0,0]=2 250 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [0,0,0,0,1,0|1,0,0]=2 251 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [0,0,0,0,1,0|1,0,0]=2 252 B6R0.3 C[C@H](CN)C(=O)O Q69061 [0,0,0,0,1,0|1,0,0]=2 253 B6R0.3 C[C@H](CN)C(=O)O Q69064 [0,0,0,0,1,0|1,0,0]=2 254 B6R0.3 C[C@H](CO)C(=O)O 10021 [0,0,0,0,1,0|1,0,0]=2 255 B6R0.3 C\C=C(/F)C(=O)O F-4310 [0,0,0,0,1,0|1,0,2]=4 256 B6R0.3 NCC(N)C(=O)O P37494 [0,0,0,0,1,0|2,0,0]=3 257 B6R0.3 NCC(O)C(=O)O O28965 [0,0,0,0,1,0|2,0,0]=3 258 B6R0.3 NC[C@@H](O)C(=O)O 10685 [0,0,0,0,1,0|2,0,0]=3 259 B6R0.3 NC[C@H](N)C(=O)O P40075 [0,0,0,0,1,0|2,0,0]=3 260 B8R0.9 C=CC(N)CCC(=O)O M15322 [0,0,0,0,0,1|1,0,2]=4 261 B8R0.9 CCC(C)OCC(=O)O P34749 [0,0,0,0,0,1|0,0,0]=1 262 B8R0.9 NCC(=O)CCC(=O)O P37517 [0,0,0,0,0,1|2,0,1]=4 263 B5R0.1 CC(N)CCO P39048 [2,0,0,0,0,0|1,0,1]=4 264 B5R0.1 C[C@@H](N)CCO F-4752 [2,0,0,0,0,0|1,0,1]=4 265 B5R0.1 C[C@H](N)CCO F-4570 [2,0,0,0,0,0|1,0,1]=4 266 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|1,0,0]=3 267 B5R0.3 CC(CBr)CBr O34172 [2,0,0,0,0,0|2,0,0]=4 268 B5R0.3 CC(CN)CO O30604 [2,0,0,0,0,0|1,0,0]=3 269 B5R0.3 CCC(C)NN O30637 [2,0,0,0,0,0|2,0,0]=4 270 B5R0.3 CNC(C)CO M23268 [2,0,0,0,0,0|1,0,0]=3 271 B5R0.3 CN[C@@H](C)CO P38191 [2,0,0,0,0,0|1,0,0]=3 272 B5R0.3 CN[C@H](C)CO P41018 [2,0,0,0,0,0|1,0,0]=3 273 B5R0.3 COC(C)CN P36510 [2,0,0,0,0,0|2,0,0]=4 274 B5R0.3 NC[C@@H](F)CO L22313 [2,0,0,0,0,0|2,0,0]=4 275 B5R0.3 NC[C@H](F)CO O33576 [2,0,0,0,0,0|2,0,0]=4 276 B7R0.5 CC(C)[C@H](N)CCO Q69023 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.5 CCCC(C)C(C)N L19280 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.7 CCCN(C)CCO Q66069 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.7 COCC(C)N=C=O L20863 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.9 O=C(O)CC(F)(F)F P39355 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.16 CC(C(=O)O)N(C)C P40714 [1,1,0,0,0,0|1,0,0]=3 282 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [1,1,0,0,0,0|0,0,0]=2 283 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [1,1,0,0,0,0|1,0,0]=3 284 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [1,1,0,0,0,0|1,0,0]=3 285 B7R0.4 C#CCNCC(=O)O L20673 [1,1,0,0,0,0|0,0,2]=4 286 B7R0.4 C#CCOCC(=O)O O29707 [1,1,0,0,0,0|0,0,2]=4 287 B7R0.4 C=CCOCC(=O)O P39548 [1,1,0,0,0,0|0,0,2]=4 288 B7R0.4 CC(=O)NCCCN P38199 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.4 CNCCNC(C)=O P41559 [1,1,0,0,0,0|2,0,0]=4 290 B7R0.4 COCCCC(=O)O P39031 [1,1,0,0,0,0|0,0,0]=2 291 B7R0.4 NCCNCC(=O)O O28634 [1,1,0,0,0,0|1,0,0]=3 292 B7R0.4 NCCOCC(=O)O P35961 [1,1,0,0,0,0|1,0,0]=3 293 B7R0.4 [N-]=[N+]=NCCC(=O)O 10071 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.6 CC(=O)OCC(C)O P36972 [1,1,0,0,0,0|2,0,0]=4 295 B7R0.6 CC(C)=CCC(=O)O P43260 [1,1,0,0,0,0|0,0,2]=4 296 B7R0.6 CC(C)OCC(=O)O P38749 [1,1,0,0,0,0|1,0,0]=3 297 B7R0.6 O=C(O)CCC(F)F S72753 [1,1,0,0,0,0|1,0,0]=3 298 B7R0.8 CCCCS(=O)(=O)O O30093 [1,1,0,0,0,0|1,0,0]=3 299 B7R0.13 C#CC(C)(C)C(=O)O H-8770 [0,1,0,0,1,0|0,0,2]=4 300 B7R0.13 CC(=O)C(C)(C)CO O34551 [0,1,0,0,1,0|2,0,0]=4 301 B7R0.13 CC(C)(CN)C(=O)O P40193 [0,1,0,0,1,0|1,0,0]=3 302 B7R0.13 CC(C)(CN)C(N)=O G-7517 [0,1,0,0,1,0|2,0,0]=4 303 B7R0.13 CCC(C)(N)C(=O)O P37187 [0,1,0,0,1,0|0,0,0]=2 304 B7R0.13 CC[C@@](C)(N)C(=O)O Q68927 [0,1,0,0,1,0|0,0,0]=2 305 B7R0.13 CC[C@](C)(N)C(=O)O Q68924 [0,1,0,0,1,0|0,0,0]=2 306 B7R0.13 CNC(C)(C)C(=O)O P39308 [0,1,0,0,1,0|1,0,0]=3 307 B7R0.13 C[C@@](N)(CO)C(=O)O Q68933 [0,1,0,0,1,0|1,0,0]=3 308 B7R0.13 C[C@](N)(CO)C(=O)O Q68930 [0,1,0,0,1,0|1,0,0]=3 309 B7R0.13 NCC(F)(F)C(=O)O H-8196 [0,1,0,0,1,0|2,0,0]=4 310 B7R0.15 CCC(NC)C(=O)O P42253 [0,1,0,0,1,0|0,0,0]=2 311 B7R0.15 NC[C@@H](CO)C(=O)O Q69031 [0,1,0,0,1,0|1,0,0]=3 312 B7R0.15 NC[C@@H](CO)C(=O)O Q69034 [0,1,0,0,1,0|1,0,0]=3 313 B7R0.15 NC[C@H](CO)C(=O)O Q69035 [0,1,0,0,1,0|1,0,0]=3 314 B7R0.15 NC[C@H](CO)C(=O)O Q69038 [0,1,0,0,1,0|1,0,0]=3 315 B9R0.7 CC(=O)N(C)CCC(=O)O P37224 [0,1,0,0,0,1|1,0,1]=4 316 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O P38303 [0,1,0,0,0,1|1,0,1]=4 317 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68967 [0,1,0,0,0,1|0,0,0]=2 318 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68970 [0,1,0,0,0,1|0,0,0]=2 319 B9R0.48 NCCC(=O)NCC(=O)O P35725 [0,1,0,0,0,1|1,0,1]=4 320 B9R0.27 CCC(=O)C(C)C(=O)OC P40525 [0,2,0,0,0,0|1,0,1]=4 321 B9R0.32 C=CC(C)(C)[C@H](N)C(=O)O L18738 [0,2,0,0,0,0|0,0,2]=4 322 B9R0.41 CCC(CC)C(N)C(=O)O M22686 [0,2,0,0,0,0|0,0,0]=2 323 B9R0.41 CCC(CC)[C@@H](N)C(=O)O P41265 [0,2,0,0,0,0|0,0,0]=2 324 B9R0.41 CCC(CC)[C@H](N)C(=O)O P41266 [0,2,0,0,0,0|0,0,0]=2 325 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68917 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68920 [0,2,0,0,0,0|1,0,0]=3 327 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q68921 [0,2,0,0,0,0|1,0,0]=3 328 B9R0.4 COCCN(C)CC(=O)O M23136 [0,2,0,0,0,0|1,0,0]=3 329 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68976 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68979 [0,2,0,0,0,0|1,0,0]=3 331 B9R0.4 CSCC[C@H](N)CC(=O)O Q69001 [0,2,0,0,0,0|1,0,0]=3 332 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [0,2,0,0,0,0|2,0,0]=4 333 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [0,2,0,0,0,0|2,0,0]=4 334 B9R0.34 COCC(C)NC(=O)CCl L18642 [0,2,0,0,0,0|2,0,0]=4 335 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68973 [0,2,0,0,0,0|1,0,0]=3 336 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68975 [0,2,0,0,0,0|1,0,0]=3 337 B9R0.53 CC(C)C[C@H](N)CC(=O)O P39532 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.53 CC(C)C[C@H](N)CC(=O)O Q68972 [0,2,0,0,0,0|1,0,0]=3 339 B9R0.53 CN(CC(=O)O)CC(=O)O M22809 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.53 NC(CC(=O)O)CC(=O)O Q68959 [0,2,0,0,0,0|1,0,1]=4 341 B9R0.53 NC(CC(=O)O)CC(=O)O Q68962 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.22 COC(C)(C)CC(=O)NN O32439 [0,2,0,0,0,0|2,0,0]=4 343 B9R0.10 CN(CC(=O)O)S(C)(=O)=O P42513 [0,2,0,0,0,0|2,0,0]=4 344 B7R1.1 BrCC1CCOC1 C-3388 [1,0,0,1,0,0|1,0,1]=4 345 B7R1.1 CC[C@@H]1CCNC1 L14526 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.1 CC[C@H]1CCNC1 L14527 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.1 CNC1CCOC1 I-9659 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.1 CN[C@@H]1CCOC1 L13930 [1,0,0,1,0,0|1,0,1]=4 349 B7R1.1 CN[C@H]1CCOC1 L13929 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.1 ICC1CCOC1 I-9304 [1,0,0,1,0,0|1,0,1]=4 351 B7R1.1 NCC1CCOC1 C-3659 [1,0,0,1,0,0|1,0,1]=4 352 B7R1.1 NCC1CCOC1 G-6767 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.1 NC[C@@H]1CCOC1 C-2790 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.1 NC[C@@H]1CCOC1 G-5015 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.1 NC[C@H]1CCOC1 C-2789 [1,0,0,1,0,0|1,0,1]=4 356 B7R1.1 NC[C@H]1CCOC1 G-5014 [1,0,0,1,0,0|1,0,1]=4 357 B7R1.1 OCC1CC=CC1 G-6600 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.1 OCC1CCOC1 C-3387 [1,0,0,1,0,0|1,0,1]=4 359 B7R1.1 OC[C@@H]1CCOC1 C-2787 [1,0,0,1,0,0|1,0,1]=4 360 B7R1.1 OC[C@H]1CCOC1 C-2788 [1,0,0,1,0,0|1,0,1]=4 361 B7R1.2 CC1CC(O)CN1 Q59204 [1,0,0,1,0,0|1,0,1]=4 362 B7R1.2 CC1CC(O)CN1 Q59205 [1,0,0,1,0,0|1,0,1]=4 363 B7R1.2 CC1CCC(N)C1 Q56970 [1,0,0,1,0,0|1,0,1]=4 364 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.2 CN1CCC(O)C1 C-3294 [1,0,0,1,0,0|1,0,1]=4 367 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [1,0,0,1,0,0|1,0,1]=4 368 B7R1.2 CN1CC[C@H](O)C1 C-3295 [1,0,0,1,0,0|1,0,1]=4 369 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [1,0,0,1,0,0|1,0,1]=4 372 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [1,0,0,1,0,0|1,0,1]=4 375 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [1,0,0,1,0,0|1,0,1]=4 376 B7R1.2 NC1CCC(O)C1 G-5810 [1,0,0,1,0,0|1,0,1]=4 377 B7R1.2 NC1CNC(=O)C1 G-6478 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.2 NC1CNC(=O)C1 L13560 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [1,0,0,1,0,0|1,0,1]=4 380 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [1,0,0,1,0,0|1,0,1]=4 381 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [1,0,0,1,0,0|1,0,1]=4 382 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [1,0,0,1,0,0|1,0,1]=4 383 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [1,0,0,1,0,0|1,0,1]=4 384 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [1,0,0,1,0,0|1,0,1]=4 387 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [1,0,0,1,0,0|1,0,1]=4 389 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [1,0,0,1,0,0|1,0,1]=4 390 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [1,0,0,1,0,0|1,0,1]=4 391 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.2 O=C1CC(O)CN1 P39299 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.2 O=C1CCC(=O)C1 I-9301 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.2 O=C1CCC(Br)C1 Q56972 [1,0,0,1,0,0|1,0,0]=3 395 B7R1.2 O=C1CCC(F)C1 Q55724 [1,0,0,1,0,0|1,0,0]=3 396 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|1,0,0]=3 397 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.2 OC1CCC(F)C1 Q55723 [1,0,0,1,0,0|1,0,1]=4 400 B7R1.2 OC1CCC(O)C1 L14091 [1,0,0,1,0,0|1,0,1]=4 401 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.3 BrC1CCOCC1 C-3420 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.3 C[C@@H]1CCCNC1 Q55825 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.3 C[C@H]1CCCNC1 Q55824 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.3 IC1CCOCC1 C-3266 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.3 NC1CCOCC1 B-1768 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.3 NC1CCOCC1 G-5110 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.3 OC1CCOCC1 B-1769 [1,0,0,1,0,0|1,0,1]=4 411 B7R1.4 CC1CCNC1C Q61659 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.4 CC1CNCC1C O33388 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.6 C=CCC1CNC1 H-8202 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.6 C=CCN1CCC1 P45061 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.6 CNCC1CCC1 P42057 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.6 CNCC1CCC1 P44415 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.6 N#CCC1CCC1 P38067 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.6 NCCC1CCC1 L18182 [1,0,0,1,0,0|1,0,1]=4 419 B7R1.6 NCCC1CCC1 P48448 [1,0,0,1,0,0|1,0,1]=4 420 B7R1.6 NNCC1CCC1 L14190 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.6 O=C=NC1CCC1 P45443 [1,0,0,1,0,0|1,0,1]=4 422 B7R1.6 O=CCC1CCC1 P45355 [1,0,0,1,0,0|0,0,0]=2 423 B7R1.6 O=CCC1CCO1 Q56186 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.6 O=CCN1CCC1 P47882 [1,0,0,1,0,0|1,0,0]=3 425 B7R1.6 OCCC1CCC1 P34706 [1,0,0,1,0,0|0,0,1]=3 426 B7R1.6 OCCC1CCO1 F-4763 [1,0,0,1,0,0|1,0,1]=4 427 B7R1.6 OCCC1CNC1 L21357 [1,0,0,1,0,0|1,0,1]=4 428 B7R1.6 OCCC1CNC1 P44027 [1,0,0,1,0,0|1,0,1]=4 429 B7R1.6 OCCC1COC1 G-5285 [1,0,0,1,0,0|1,0,1]=4 430 B7R1.6 OCCC1CSC1 Q58815 [1,0,0,1,0,0|1,0,1]=4 431 B7R1.6 OCCN1CCC1 P44493 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.6 OCC[C@@H]1CCO1 Q56146 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.6 OCC[C@H]1CCO1 Q56145 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.8 CC1CCC1CO P48346 [1,0,0,1,0,0|0,0,1]=3 435 B7R1.8 CC1OCC1CO Q56093 [1,0,0,1,0,0|1,0,1]=4 436 B7R1.8 CN1CCC1CO P47720 [1,0,0,1,0,0|1,0,1]=4 437 B7R1.8 CN1CC[C@@H]1CO P46629 [1,0,0,1,0,0|1,0,1]=4 438 B7R1.8 CN1CC[C@H]1CO P44139 [1,0,0,1,0,0|1,0,1]=4 439 B7R1.8 OCC1CCC1F P47249 [1,0,0,1,0,0|1,0,1]=4 440 B7R1.8 OCC1CCC1O P50851 [1,0,0,1,0,0|1,0,1]=4 441 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [1,0,0,1,0,0|1,0,1]=4 442 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [1,0,0,1,0,0|1,0,1]=4 443 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [1,0,0,1,0,0|1,0,1]=4 444 B7R1.10 C=C1CC(CBr)C1 P49895 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.10 C=C1CC(CO)C1 P49896 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.10 C=CC1CC(=O)C1 P45344 [1,0,0,1,0,0|0,0,2]=4 447 B7R1.10 CCC1CC(=O)C1 P44071 [1,0,0,1,0,0|0,0,0]=2 448 B7R1.10 CCC1CC(N)C1 P48761 [1,0,0,1,0,0|1,0,1]=4 449 B7R1.10 CCN1CC(O)C1 C-2413 [1,0,0,1,0,0|1,0,1]=4 450 B7R1.10 CCN1CC(O)C1 P44328 [1,0,0,1,0,0|1,0,1]=4 451 B7R1.10 CNC1CC(O)C1 G-5725 [1,0,0,1,0,0|1,0,1]=4 452 B7R1.10 CNC1CC(O)C1 P48534 [1,0,0,1,0,0|1,0,1]=4 453 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [1,0,0,1,0,0|1,0,1]=4 454 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [1,0,0,1,0,0|1,0,1]=4 455 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [1,0,0,1,0,0|1,0,1]=4 456 B7R1.10 COC1CC(=O)C1 F-4668 [1,0,0,1,0,0|1,0,0]=3 457 B7R1.10 COC1CC(O)C1 P48191 [1,0,0,1,0,0|1,0,1]=4 458 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [1,0,0,1,0,0|1,0,1]=4 459 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [1,0,0,1,0,0|1,0,1]=4 460 B7R1.10 N#CC1CC(=O)C1 F-4231 [1,0,0,1,0,0|1,0,1]=4 461 B7R1.10 NCC1CC(=O)C1 C-2921 [1,0,0,1,0,0|1,0,0]=3 462 B7R1.10 NCC1CC(O)C1 G-5291 [1,0,0,1,0,0|1,0,1]=4 463 B7R1.10 NCC1CC(O)C1 P47397 [1,0,0,1,0,0|1,0,1]=4 464 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [1,0,0,1,0,0|1,0,1]=4 465 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [1,0,0,1,0,0|1,0,1]=4 466 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [1,0,0,1,0,0|1,0,1]=4 467 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [1,0,0,1,0,0|1,0,1]=4 468 B7R1.10 O=C1CC(CBr)C1 G-6631 [1,0,0,1,0,0|1,0,0]=3 469 B7R1.10 O=C1CC(CBr)O1 Q57248 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.10 O=C1CC(CCl)C1 L13121 [1,0,0,1,0,0|1,0,0]=3 471 B7R1.10 O=C1CC(CF)C1 P44872 [1,0,0,1,0,0|1,0,0]=3 472 B7R1.10 O=C1CC(CO)C1 D-2565 [1,0,0,1,0,0|1,0,0]=3 473 B7R1.10 O=C1CC(CO)N1 P45245 [1,0,0,1,0,0|2,0,0]=4 474 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.10 OC1CC(CBr)C1 P47356 [1,0,0,1,0,0|1,0,1]=4 476 B7R1.10 OC1CC(CF)C1 P47254 [1,0,0,1,0,0|1,0,1]=4 477 B7R1.10 OCC1CC(O)C1 P49195 [1,0,0,1,0,0|1,0,1]=4 478 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [1,0,0,1,0,0|1,0,1]=4 479 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [1,0,0,1,0,0|1,0,1]=4 480 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [1,0,0,1,0,0|1,0,1]=4 481 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [1,0,0,1,0,0|2,0,0]=4 482 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [1,0,0,1,0,0|2,0,0]=4 483 B7R1.21 CC1(CCO)CC1 L14283 [1,0,0,1,0,0|0,0,1]=3 484 B7R1.21 OCCC1(O)CC1 O33441 [1,0,0,1,0,0|1,0,1]=4 485 B7R1.25 CC1(CBr)CCO1 Q54729 [1,0,0,1,0,0|1,0,1]=4 486 B7R1.25 CC1(CI)CCO1 Q55856 [1,0,0,1,0,0|1,0,1]=4 487 B7R1.25 CC1(CN)CCO1 Q55436 [1,0,0,1,0,0|1,0,1]=4 488 B7R1.25 CC1(CO)CCO1 Q62788 [1,0,0,1,0,0|1,0,1]=4 489 B7R1.25 CCC1(C)CNC1 P47022 [1,0,0,1,0,0|2,0,0]=4 490 B7R1.25 CCC1(C)CNC1 P47941 [1,0,0,1,0,0|2,0,0]=4 491 B7R1.12 CC1CC1C(=O)Cl O31612 [1,0,0,1,0,0|1,0,0]=3 492 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|0,0,0]=2 493 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|0,0,0]=2 494 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|0,0,0]=2 495 B7R1.12 O=C(O)C1CC1F Q52394 [1,0,0,1,0,0|1,0,0]=3 496 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [1,0,0,1,0,0|1,0,0]=3 497 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [1,0,0,1,0,0|1,0,0]=3 498 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [1,0,0,1,0,0|1,0,0]=3 499 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [1,0,0,1,0,0|1,0,0]=3 500 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [1,0,0,1,0,0|1,0,0]=3 501 B7R1.16 CC1(C)CC(=O)C1 L21874 [1,0,0,1,0,0|1,0,0]=3 502 B7R1.16 CC1(C)CC(=O)N1 P45568 [1,0,0,1,0,0|1,0,0]=3 503 B7R1.16 CC1(C)CC(O)C1 L21464 [1,0,0,1,0,0|1,0,1]=4 504 B7R1.16 CC1(N)CC(=O)C1 O33169 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.20 CC(O)CC1CC1 O29763 [1,0,0,1,0,0|1,0,1]=4 506 B7R1.20 O=C(Cl)CC1CC1 Q54347 [1,0,0,1,0,0|1,0,0]=3 507 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|0,0,0]=2 508 B7R1.20 O=C(O)CC1CO1 P45743 [1,0,0,1,0,0|1,0,0]=3 509 B7R1.18 CC(=O)C1CCC1 Q54751 [1,0,0,1,0,0|1,0,0]=3 510 B7R1.18 CC(=O)C1CNC1 P44065 [1,0,0,1,0,0|2,0,0]=4 511 B7R1.18 CC(=O)C1CNC1 P48871 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.18 CC(=O)C1CNC1 P48872 [1,0,0,1,0,0|2,0,0]=4 513 B7R1.18 CC(=O)C1COC1 Q56096 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.18 CC(=O)N1CCC1 P45596 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.18 CC(O)C1CCC1 P45236 [1,0,0,1,0,0|1,0,1]=4 516 B7R1.18 C[C@H](O)C1CCC1 P47847 [1,0,0,1,0,0|1,0,1]=4 517 B7R1.18 N=C(N)C1CCC1 G-7205 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.18 NC(=O)C1CCC1 O34470 [1,0,0,1,0,0|1,0,0]=3 519 B7R1.18 NC(=O)C1CCN1 O28301 [1,0,0,1,0,0|2,0,0]=4 520 B7R1.18 NC(=O)C1CNC1 C-2241 [1,0,0,1,0,0|2,0,0]=4 521 B7R1.18 NC(=O)C1CNC1 L21539 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.18 NC(=O)N1CCC1 P45464 [1,0,0,1,0,0|2,0,0]=4 523 B7R1.18 NC(=S)C1CCC1 P47843 [1,0,0,1,0,0|1,1,0]=4 524 B7R1.18 O=C(O)C1CCN1 B-1112 [1,0,0,1,0,0|1,0,0]=3 525 B7R1.18 O=C(O)C1CCO1 D-2702 [1,0,0,1,0,0|1,0,0]=3 526 B7R1.18 O=C(O)C1CNC1 A-422 [1,0,0,1,0,0|1,0,0]=3 527 B7R1.18 O=C(O)C1CNC1 P42961 [1,0,0,1,0,0|1,0,0]=3 528 B7R1.18 O=C(O)C1COC1 A-970 [1,0,0,1,0,0|1,0,0]=3 529 B7R1.18 O=C(O)C1CSC1 H-8019 [1,0,0,1,0,0|1,0,0]=3 530 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [1,0,0,1,0,0|1,0,0]=3 531 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [1,0,0,1,0,0|1,0,0]=3 532 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [1,0,0,1,0,0|1,0,0]=3 533 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [1,0,0,1,0,0|1,0,0]=3 534 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [1,0,0,1,0,0|1,0,0]=3 535 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [1,0,0,1,0,0|1,0,0]=3 536 B7R1.18 OB(O)C1CCC1 P45097 [1,0,0,1,0,0|1,0,1]=4 537 B7R1.19 CC1(C(=O)Cl)CC1 L13117 [0,0,0,1,1,0|1,0,0]=3 538 B7R1.19 CC1(C(=O)O)CC1 G-6948 [0,0,0,1,1,0|0,0,0]=2 539 B7R1.19 CC1(C(N)=O)CC1 O34284 [0,0,0,1,1,0|1,0,0]=3 540 B7R1.19 NC(=O)C1(N)CC1 L22305 [0,0,0,1,1,0|2,0,0]=4 541 B7R1.19 NC(=O)C1(N)CC1 P41484 [0,0,0,1,1,0|2,0,0]=4 542 B7R1.19 NC1(C(=O)O)CC1 G-5950 [0,0,0,1,1,0|1,0,0]=3 543 B7R1.19 O=C(O)C1(Br)CC1 O34313 [0,0,0,1,1,0|1,0,0]=3 544 B7R1.19 O=C(O)C1(F)CC1 O33313 [0,0,0,1,1,0|1,0,0]=3 545 B7R1.19 O=C(O)C1(O)CC1 I-9870 [0,0,0,1,1,0|1,0,0]=3 546 B9R1.1 CNC1CCC(=O)CC1 P41929 [0,0,0,1,0,1|2,0,0]=4 547 B9R1.1 COC1CCC(=O)CC1 P34719 [0,0,0,1,0,1|2,0,0]=4 548 B9R1.1 NCC1CCC(=O)NC1 F-4482 [0,0,0,1,0,1|2,0,0]=4 549 B9R1.1 O=C1CCC(CBr)CN1 L20956 [0,0,0,1,0,1|2,0,0]=4 550 B9R1.1 O=C1CCC(CO)CC1 O32541 [0,0,0,1,0,1|2,0,0]=4 551 B9R1.1 O=C1CCC(CO)CN1 H-8442 [0,0,0,1,0,1|2,0,0]=4 552 B9R1.1 O=C1CO[C@@H](CO)CN1 Q65251 [0,0,0,1,0,1|2,0,0]=4 553 B9R1.1 O=C1CO[C@H](CO)CN1 Q65252 [0,0,0,1,0,1|2,0,0]=4 554 B9R1.35 CC(=O)N1CCC(I)C1 Q57221 [0,0,0,1,0,1|2,0,0]=4 555 B9R1.35 CC(=O)N1CCC(N)C1 L14137 [0,0,0,1,0,1|2,0,0]=4 556 B9R1.35 CC(=O)N1CC[C@@H](N)C1 P43139 [0,0,0,1,0,1|2,0,0]=4 557 B9R1.35 CC(=O)N1CC[C@@H](O)C1 G-5907 [0,0,0,1,0,1|2,0,0]=4 558 B9R1.35 CC(=O)N1CC[C@H](N)C1 P43073 [0,0,0,1,0,1|2,0,0]=4 559 B9R1.35 CN1CCC(C(=O)O)C1 O28273 [0,0,0,1,0,1|1,0,0]=3 560 B9R1.35 CN1CCC(C(=O)O)C1 O30600 [0,0,0,1,0,1|1,0,0]=3 561 B9R1.35 CN1CC[C@@H](C(=O)O)C1 G-6130 [0,0,0,1,0,1|1,0,0]=3 562 B9R1.35 CN1CC[C@@H](C(=O)O)C1 G-6130-01 [0,0,0,1,0,1|1,0,0]=3 563 B9R1.35 CN1CC[C@H](C(=O)O)C1 G-6129 [0,0,0,1,0,1|1,0,0]=3 564 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 O32949 [0,0,0,1,0,1|0,0,0]=2 565 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Q53020 [0,0,0,1,0,1|0,0,0]=2 566 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Q53019 [0,0,0,1,0,1|0,0,0]=2 567 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52436 [0,0,0,1,0,1|0,0,0]=2 568 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52437 [0,0,0,1,0,1|0,0,0]=2 569 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 O32956 [0,0,0,1,0,1|0,0,0]=2 570 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 Q52337 [0,0,0,1,0,1|1,0,0]=3 571 B9R1.35 NC(=O)N1CCC(N)C1 Q59176 [0,0,0,1,0,1|2,0,0]=4 572 B9R1.35 NC1CCC(C(=O)O)C1 G-7403 [0,0,0,1,0,1|1,0,0]=3 573 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 10009 [0,0,0,1,0,1|1,0,0]=3 574 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 F-4734 [0,0,0,1,0,1|1,0,0]=3 575 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 L21283 [0,0,0,1,0,1|1,0,0]=3 576 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 P39234 [0,0,0,1,0,1|2,0,0]=4 577 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 P40794 [0,0,0,1,0,1|2,0,0]=4 578 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 10164 [0,0,0,1,0,1|1,0,0]=3 579 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 P44640 [0,0,0,1,0,1|1,0,0]=3 580 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 L21252 [0,0,0,1,0,1|1,0,0]=3 581 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Q52275 [0,0,0,1,0,1|1,0,0]=3 582 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A-335 [0,0,0,1,0,1|2,0,0]=4 583 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Q61690 [0,0,0,1,0,1|2,0,0]=4 584 B9R1.35 O=C(O)C1CCC(F)C1 Q54410 [0,0,0,1,0,1|1,0,0]=3 585 B9R1.35 O=C(O)C1C[C@H](O)CN1 A-345 [0,0,0,1,0,1|2,0,0]=4 586 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q61734 [0,0,0,1,0,1|1,0,0]=3 587 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q63412 [0,0,0,1,0,1|1,0,0]=3 588 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Q63408 [0,0,0,1,0,1|1,0,0]=3 589 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q61733 [0,0,0,1,0,1|1,0,0]=3 590 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q63414 [0,0,0,1,0,1|1,0,0]=3 591 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Q63410 [0,0,0,1,0,1|1,0,0]=3 592 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 A-341 [0,0,0,1,0,1|2,0,0]=4 593 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 G-6984 [0,0,0,1,0,1|2,0,0]=4 594 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 A-344 [0,0,0,1,0,1|2,0,0]=4 595 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 L21815 [0,0,0,1,0,1|2,0,0]=4 596 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 O30697 [0,0,0,1,0,1|2,0,0]=4 597 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 L22413 [0,0,0,1,0,1|2,0,0]=4 598 B9R1.35 O=C(O)[C@H]1CC[C@@H](F)C1 Q63413 [0,0,0,1,0,1|1,0,0]=3 599 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 Q63409 [0,0,0,1,0,1|1,0,0]=3 600 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 Q63411 [0,0,0,1,0,1|1,0,0]=3 601 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Q63407 [0,0,0,1,0,1|1,0,0]=3 602 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063 [0,0,0,1,0,1|2,0,0]=4 603 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063-01 [0,0,0,1,0,1|2,0,0]=4 604 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 L13532 [0,0,0,1,0,1|2,0,0]=4 605 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 G-7739 [0,0,0,1,0,1|2,0,0]=4 606 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P41300 [0,0,0,1,0,1|2,0,0]=4 607 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P44659 [0,0,0,1,0,1|2,0,0]=4 608 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [0,0,0,1,0,1|1,0,1]=4 609 B9R1.35 O=C1CCC(C(=O)O)S1 I-9617 [0,0,0,1,0,1|1,0,1]=4 610 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [0,0,0,1,0,1|1,0,1]=4 611 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 G-7802 [0,0,0,1,0,1|1,0,1]=4 612 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [0,0,0,1,0,1|1,0,1]=4 613 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,0,0,1,0,1|2,0,0]=4 614 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O P45721 [0,0,0,1,0,1|2,0,0]=4 615 B9R1.55 N[C@H]1[C@@H](O)C[C@H]1C(=O)O P46166 [0,0,0,1,0,1|2,0,0]=4 616 B9R1.67 CC(=O)OC1CCC1O P49892 [0,0,0,1,0,1|2,0,0]=4 617 B9R1.67 CC1CCN1CC(=O)O P47040 [0,0,0,1,0,1|0,0,0]=2 618 B9R1.67 CC1CCN1CC(=O)O P47963 [0,0,0,1,0,1|0,0,0]=2 619 B9R1.69 CC1CC(=O)CCC1O P44912 [0,0,0,1,0,1|2,0,0]=4 620 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,0,0,1,0,1|1,0,1]=4 621 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,0,0,1,0,1|2,0,0]=4 622 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,0,0,1,0,1|2,0,0]=4 623 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,0,0,1,0,1|2,0,0]=4 624 B9R1.84 CC(=O)NCC1CNC1 P42074 [0,0,0,1,0,1|2,0,0]=4 625 B9R1.84 CC(O)CNC1CCC1 P49156 [0,0,0,1,0,1|1,0,1]=4 626 B9R1.84 NC(=O)COC1CNC1 P48539 [0,0,0,1,0,1|2,0,0]=4 627 B9R1.84 NC(=O)COC1CNC1 P48745 [0,0,0,1,0,1|2,0,0]=4 628 B9R1.84 NC(=S)NCC1CCC1 P49815 [0,0,0,1,0,1|1,1,0]=4 629 B9R1.84 O=C(O)C#CC1CCC1 P48727 [0,0,0,1,0,1|0,0,1]=3 630 B9R1.84 O=C(O)CCC1CCC1 P34709 [0,0,0,1,0,1|0,0,0]=2 631 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,0,0,1,0,1|1,0,0]=3 632 B9R1.84 O=C(O)CNC1CCC1 I-9681 [0,0,0,1,0,1|0,0,0]=2 633 B9R1.84 O=C(O)COC1CCC1 P44175 [0,0,0,1,0,1|0,0,0]=2 634 B9R1.84 O=C(O)\C=C\C1CCC1 P44576 [0,0,0,1,0,1|0,0,1]=3 635 B9R1.84 O=C([O-])CCC1CCO1 Q57244 [0,0,0,1,0,1|1,0,1]=4 636 B9R1.86 CCC1CC1CC(=O)O O32172 [0,0,0,1,0,1|0,0,0]=2 637 B9R1.95 CC(=O)N1CC(CN)C1 P47074 [0,0,0,1,0,1|2,0,0]=4 638 B9R1.95 CC(=O)N1CC(CO)C1 P48310 [0,0,0,1,0,1|2,0,0]=4 639 B9R1.95 CCC1CC(C(=O)O)C1 P45348 [0,0,0,1,0,1|0,0,0]=2 640 B9R1.95 CCN1CC(C(=O)O)C1 H-8216 [0,0,0,1,0,1|1,0,0]=3 641 B9R1.95 CNC1CC(C(=O)O)C1 P48460 [0,0,0,1,0,1|1,0,0]=3 642 B9R1.95 COC1CC(C(=O)O)C1 F-4385 [0,0,0,1,0,1|1,0,0]=3 643 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 G-7356 [0,0,0,1,0,1|1,0,0]=3 644 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 G-7357 [0,0,0,1,0,1|1,0,0]=3 645 B9R1.95 N#CC1CC(C(=O)O)C1 P43789 [0,0,0,1,0,1|1,0,1]=4 646 B9R1.95 NCC1CC(C(=O)O)C1 L14512 [0,0,0,1,0,1|1,0,0]=3 647 B9R1.95 NCC1CC(C(=O)O)C1 P48866 [0,0,0,1,0,1|1,0,0]=3 648 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48252 [0,0,0,1,0,1|1,0,0]=3 649 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48255 [0,0,0,1,0,1|1,0,0]=3 650 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 P47233 [0,0,0,1,0,1|1,0,0]=3 651 B9R1.95 O=C(O)C1CC(CBr)C1 P49897 [0,0,0,1,0,1|1,0,0]=3 652 B9R1.95 O=C(O)C1CC(CF)C1 P47785 [0,0,0,1,0,1|1,0,0]=3 653 B9R1.95 O=C(O)C1CC(CO)C1 D-2561 [0,0,0,1,0,1|1,0,0]=3 654 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 P47160 [0,0,0,1,0,1|1,0,0]=3 655 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 P47223 [0,0,0,1,0,1|1,0,0]=3 656 B9R1.125 CC1(CN)CCC(=O)N1 Q65054 [0,0,0,1,0,1|2,0,0]=4 657 B9R1.125 CC1(CO)CCC(=O)N1 Q65055 [0,0,0,1,0,1|2,0,0]=4 658 B9R1.125 CC1(CO)CNC(=O)C1 Q61575 [0,0,0,1,0,1|2,0,0]=4 659 B9R1.147 CC1(CCC(=O)O)N=N1 O33992 [0,0,0,1,0,1|2,0,0]=4 660 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|1,0,0]=3 661 B9R1.41 CC1CCNC1C(=O)O Q57359 [0,1,0,1,0,0|0,0,0]=2 662 B9R1.41 CC1CCNC1C(=O)O Q57360 [0,1,0,1,0,0|0,0,0]=2 663 B9R1.41 CC1CNCC1C(=O)O Q59247 [0,1,0,1,0,0|0,0,0]=2 664 B9R1.41 CN1CCCC1C(=O)O M22685 [0,1,0,1,0,0|1,0,0]=3 665 B9R1.41 CN1CCC[C@@H]1C(=O)O P36536 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.41 CN1CCC[C@@H]1C(=O)O P37259 [0,1,0,1,0,0|1,0,0]=3 667 B9R1.41 CN1CCC[C@H]1C(=O)O I-9166 [0,1,0,1,0,0|1,0,0]=3 668 B9R1.41 CN1CCC[C@H]1C(=O)O O28625 [0,1,0,1,0,0|1,0,0]=3 669 B9R1.41 CN1CCC[C@H]1C(=O)O P37937 [0,1,0,1,0,0|1,0,0]=3 670 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Q62191 [0,1,0,1,0,0|0,0,0]=2 671 B9R1.41 NC(=O)C1CCCC1N Q59162 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O O32797 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Q61718 [0,1,0,1,0,0|1,0,0]=3 674 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O H-8160 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61730 [0,1,0,1,0,0|1,0,0]=3 676 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61731 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.41 N[C@H]1C=CC[C@H]1C(=O)O Q57116 [0,1,0,1,0,0|1,0,1]=4 678 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O H-8161 [0,1,0,1,0,0|1,0,0]=3 679 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F-4802 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Q52546 [0,1,0,1,0,0|1,0,0]=3 681 B9R1.41 O=C(O)C1CCCC1O Q59153 [0,1,0,1,0,0|1,0,0]=3 682 B9R1.41 O=C(O)C1CCNC1=O F-4855 [0,1,0,1,0,0|1,0,1]=4 683 B9R1.41 O=C(O)C1CNCC1O H-8825 [0,1,0,1,0,0|1,0,0]=3 684 B9R1.41 O=C(O)C1NCCC1F Q59330 [0,1,0,1,0,0|1,0,0]=3 685 B9R1.41 O=C(O)C1NCC[C@@H]1O F-4332 [0,1,0,1,0,0|1,0,0]=3 686 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1F Q63425 [0,1,0,1,0,0|1,0,0]=3 687 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1O Q63421 [0,1,0,1,0,0|1,0,0]=3 688 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1F Q63426 [0,1,0,1,0,0|1,0,0]=3 689 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1O Q63422 [0,1,0,1,0,0|1,0,0]=3 690 B9R1.41 O=C(O)[C@@H]1CCNC1=O Q55035 [0,1,0,1,0,0|1,0,1]=4 691 B9R1.41 O=C(O)[C@@H]1CNC[C@@H]1O H-8824 [0,1,0,1,0,0|1,0,0]=3 692 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F Q64264 [0,1,0,1,0,0|1,0,0]=3 693 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O I-9988 [0,1,0,1,0,0|1,0,0]=3 694 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L14329 [0,1,0,1,0,0|1,0,0]=3 695 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L22341 [0,1,0,1,0,0|1,0,0]=3 696 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Q64265 [0,1,0,1,0,0|1,0,0]=3 697 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O F-4333 [0,1,0,1,0,0|1,0,0]=3 698 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O L13193 [0,1,0,1,0,0|1,0,0]=3 699 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Q54350 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1F Q63427 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Q63423 [0,1,0,1,0,0|1,0,0]=3 702 B9R1.41 O=C(O)[C@H]1CCC[C@H]1F Q63424 [0,1,0,1,0,0|1,0,0]=3 703 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Q63420 [0,1,0,1,0,0|1,0,0]=3 704 B9R1.41 O=C(O)[C@H]1CCNC1=O Q55036 [0,1,0,1,0,0|1,0,1]=4 705 B9R1.41 O=C(O)[C@H]1CNC[C@@H]1O H-8823 [0,1,0,1,0,0|1,0,0]=3 706 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64266 [0,1,0,1,0,0|1,0,0]=3 707 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64267 [0,1,0,1,0,0|1,0,0]=3 708 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O I-9959 [0,1,0,1,0,0|1,0,0]=3 709 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O L21735 [0,1,0,1,0,0|1,0,0]=3 710 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F Q64263 [0,1,0,1,0,0|1,0,0]=3 711 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O L22366 [0,1,0,1,0,0|1,0,0]=3 712 B9R1.81 COC(=O)C1CCC1N P48812 [0,1,0,1,0,0|1,0,0]=3 713 B9R1.81 COC(=O)C1CCN1C P45741 [0,1,0,1,0,0|1,0,0]=3 714 B9R1.81 COC(=O)C1CNC1C L14496 [0,1,0,1,0,0|1,0,0]=3 715 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N F-4529 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N G-6951 [0,1,0,1,0,0|1,0,0]=3 717 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N K12006 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P48655 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P50299 [0,1,0,1,0,0|1,0,0]=3 720 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N P47008 [0,1,0,1,0,0|1,0,0]=3 721 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Q56097 [0,1,0,1,0,0|1,0,0]=3 722 B9R1.81 COC(=O)[C@@H]1CN[C@H]1C P50301 [0,1,0,1,0,0|1,0,0]=3 723 B9R1.81 COC(=O)[C@H]1CC[C@H]1N P48086 [0,1,0,1,0,0|1,0,0]=3 724 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Q52809 [0,1,0,1,0,0|1,0,0]=3 725 B9R1.96 CC(=O)N1CCC1CO P46183 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.96 CC(=O)N1CC[C@@H]1CO P46139 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.96 CC(=O)N1CC[C@H]1CO P46142 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.96 CCC1CCC1C(=O)O P47971 [0,1,0,1,0,0|0,0,0]=2 729 B9R1.96 CCC1CN[C@@H]1C(=O)O L21366 [0,1,0,1,0,0|0,0,0]=2 730 B9R1.96 CCN1CCC1C(=O)O P48309 [0,1,0,1,0,0|1,0,0]=3 731 B9R1.96 CCN1CC[C@H]1C(=O)O L14215 [0,1,0,1,0,0|1,0,0]=3 732 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O P50796 [0,1,0,1,0,0|0,0,0]=2 733 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O P48367 [0,1,0,1,0,0|0,0,0]=2 734 B9R1.96 N#CC1CCC1C(=O)O L18042 [0,1,0,1,0,0|0,0,1]=3 735 B9R1.96 O=C(O)C1CCC1CF P48305 [0,1,0,1,0,0|0,0,0]=2 736 B9R1.96 O=C(O)N1CCC1CO P47009 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.110 CC(C(=O)O)C1CCC1 P49848 [0,1,0,1,0,0|0,0,0]=2 738 B9R1.110 CC(C(=O)O)C1CCO1 Q56202 [0,1,0,1,0,0|1,0,0]=3 739 B9R1.110 CC(C(=O)O)C1CNC1 P47100 [0,1,0,1,0,0|1,0,0]=3 740 B9R1.110 CC(C(=O)O)C1CNC1 P47946 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.110 CC(C(=O)O)N1CCC1 P43803 [0,1,0,1,0,0|1,0,0]=3 742 B9R1.110 NC(C(=O)O)C1CCC1 G-7603 [0,1,0,1,0,0|0,0,0]=2 743 B9R1.110 NC(C(=O)O)C1CCC1 P48639 [0,1,0,1,0,0|0,0,0]=2 744 B9R1.110 NC(C(=O)O)C1COC1 F-4658 [0,1,0,1,0,0|1,0,0]=3 745 B9R1.110 N[C@@H](C(=O)O)C1CCC1 I-9625 [0,1,0,1,0,0|0,0,0]=2 746 B9R1.110 N[C@@H](C(=O)O)C1COC1 G-7604 [0,1,0,1,0,0|1,0,0]=3 747 B9R1.110 N[C@H](C(=O)O)C1COC1 G-7605 [0,1,0,1,0,0|1,0,0]=3 748 B9R1.110 O=C(O)C(F)C1COC1 Q63100 [0,1,0,1,0,0|1,0,0]=3 749 B9R1.110 O=C(O)C(O)C1CCC1 P48825 [0,1,0,1,0,0|0,0,0]=2 750 B9R1.110 O=C(O)[C@@H](O)C1CCC1 P45090 [0,1,0,1,0,0|0,0,0]=2 751 B9R1.110 O=C(O)[C@H](O)C1CCC1 P46146 [0,1,0,1,0,0|0,0,0]=2 752 B9R1.111 CC1(C(N)C(=O)O)CC1 L14530 [0,1,0,1,0,0|0,0,0]=2 753 B9R1.111 CC1([C@H](N)C(=O)O)CC1 G-7090 [0,1,0,1,0,0|0,0,0]=2 754 B9R1.13 CC(=O)NC1CCNC1 P36025 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.13 CC(=O)N[C@@H]1CCNC1 L21969 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.13 CC(=O)N[C@H]1CCNC1 P42553 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.13 CC(=O)N[C@H]1CCNC1 Q56351 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.13 CC(O)CC1CCCN1 Q59227 [0,1,0,1,0,0|1,0,1]=4 759 B9R1.13 NC(=O)CC1CCCN1 Q61611 [0,1,0,1,0,0|1,0,0]=3 760 B9R1.13 NC(=O)CC1CCCN1 Q61612 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.13 NC(=O)CC1CCNC1 Q57405 [0,1,0,1,0,0|1,0,0]=3 762 B9R1.13 NC(=O)CC1CCNC1 Q57406 [0,1,0,1,0,0|1,0,0]=3 763 B9R1.13 O=C(Cl)CC1CCCO1 L21210 [0,1,0,1,0,0|1,0,0]=3 764 B9R1.13 O=C(Cl)OC1CCOC1 L19890 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.13 O=C(O)CC1CCCN1 P36438 [0,1,0,1,0,0|0,0,0]=2 766 B9R1.13 O=C(O)CC1CCCN1 P51099 [0,1,0,1,0,0|0,0,0]=2 767 B9R1.13 O=C(O)CC1CCNC1 G-6773 [0,1,0,1,0,0|0,0,0]=2 768 B9R1.13 O=C(O)CC1CCNC1 M22656 [0,1,0,1,0,0|0,0,0]=2 769 B9R1.13 O=C(O)CC1CCOC1 A-556 [0,1,0,1,0,0|0,0,0]=2 770 B9R1.13 O=C(O)CN1CCCC1 10114 [0,1,0,1,0,0|1,0,0]=3 771 B9R1.13 O=C(O)C[C@@H]1CCCN1 P37561 [0,1,0,1,0,0|0,0,0]=2 772 B9R1.13 O=C(O)C[C@@H]1CCCN1 Q68982 [0,1,0,1,0,0|0,0,0]=2 773 B9R1.13 O=C(O)C[C@@H]1CCNC1 L21906 [0,1,0,1,0,0|0,0,0]=2 774 B9R1.13 O=C(O)C[C@H]1CCCN1 P38072 [0,1,0,1,0,0|0,0,0]=2 775 B9R1.13 O=C(O)C[C@H]1CCCN1 P51185 [0,1,0,1,0,0|0,0,0]=2 776 B9R1.13 O=C(O)C[C@H]1CCOC1 Q55020 [0,1,0,1,0,0|0,0,0]=2 777 B9R1.13 OB(O)CC1CCCC1 Q68859 [0,1,0,1,0,0|1,0,1]=4 778 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 L22312 [0,1,0,1,0,0|1,0,0]=3 779 B9R1.34 CC1CC(=O)CC(=O)O1 H-8797 [0,1,0,1,0,0|1,0,1]=4 780 B9R1.34 CC1CC(=O)CC(C)N1 O29876 [0,1,0,1,0,0|1,0,0]=3 781 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.34 CN1CC(=O)OC(=O)C1 Q70106 [0,1,0,1,0,0|1,0,1]=4 783 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [0,1,0,1,0,0|1,0,0]=3 784 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [0,1,0,1,0,0|1,0,0]=3 785 B9R1.34 C[C@@H]1C[C@H](O)C[C@H](C)C1 P45201 [0,1,0,1,0,0|1,0,1]=4 786 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 L13865 [0,1,0,1,0,0|1,0,0]=3 787 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Q55528 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [0,1,0,1,0,0|1,0,0]=3 789 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [0,1,0,1,0,0|1,0,0]=3 790 B9R1.34 C[C@H]1CC(O)C[C@H](C)N1 Q61338 [0,1,0,1,0,0|1,0,1]=4 791 B9R1.34 C[C@H]1C[C@@H](O)C[C@@H](C)N1 Q61337 [0,1,0,1,0,0|1,0,1]=4 792 B9R1.38 CC1(C)NC(=O)CC1O Q64205 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,1,0,1,0,0|1,0,0]=3 794 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.52 CC1CN(C)[C@@H]1C(=O)O L14533 [0,1,0,1,0,0|0,0,0]=2 796 B9R1.53 CC(=O)NC1CC(N)C1 L14306 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.53 CC(=O)NC1CC(N)C1 P49715 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.53 CC(=O)O[C@H]1C[C@@H](O)C1 P47617 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.53 CC(=O)O[C@H]1C[C@H](O)C1 P47529 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.53 CC(=O)SC1CC(F)C1 P46793 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.53 CC1CC(CC(=O)O)C1 P49313 [0,1,0,1,0,0|0,0,0]=2 802 B9R1.53 CC1CN(CC(=O)O)C1 P47055 [0,1,0,1,0,0|1,0,0]=3 803 B9R1.53 CC1CN(CC(=O)O)C1 P47914 [0,1,0,1,0,0|1,0,0]=3 804 B9R1.53 CN1CC(CC(=O)O)C1 P48710 [0,1,0,1,0,0|0,0,0]=2 805 B9R1.53 NC1CC(CC(=O)O)C1 I-9459 [0,1,0,1,0,0|0,0,0]=2 806 B9R1.53 NC1CC(CC(=O)O)C1 Q56497 [0,1,0,1,0,0|0,0,0]=2 807 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 G-7331 [0,1,0,1,0,0|0,0,0]=2 808 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 G-7981 [0,1,0,1,0,0|0,0,0]=2 809 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 G-7332 [0,1,0,1,0,0|0,0,0]=2 810 B9R1.53 O=C(O)CC1CC(=O)C1 L14792 [0,1,0,1,0,0|0,0,1]=3 811 B9R1.53 O=C(O)CC1CC(=O)N1 P45185 [0,1,0,1,0,0|1,0,1]=4 812 B9R1.53 O=C(O)CC1CC(F)C1 P47187 [0,1,0,1,0,0|0,0,0]=2 813 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 P46932 [0,1,0,1,0,0|0,0,0]=2 814 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 P46934 [0,1,0,1,0,0|0,0,0]=2 815 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,1,0,1,0,0|2,0,0]=4 817 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,1,0,1,0,0|2,0,0]=4 818 B9R1.66 CC1CC(C)(O)CCN1 Q65228 [0,1,0,1,0,0|1,0,1]=4 819 B9R1.66 O=C1CC(F)(F)CCN1 Q63587 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.136 NCCC1CS(=O)(=O)C1 Q58809 [0,1,0,1,0,0|1,0,1]=4 821 B9R1.136 O=S1(=O)CC(CCBr)C1 Q58813 [0,1,0,1,0,0|1,0,1]=4 822 B9R1.137 C\C(=C\C(=O)O)C1CC1 O30728 [0,1,0,1,0,0|0,0,2]=4 823 B9R1.137 NC(CC(=O)O)C1CC1 P38780 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.137 O=C(O)CC(=O)C1CC1 F-4421 [0,1,0,1,0,0|1,0,1]=4 825 B9R1.171 CC(=O)CC1(O)CCC1 P46719 [0,1,0,1,0,0|1,0,0]=3 826 B9R1.171 CC(=O)CC1(O)COC1 Q55873 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.171 CC(O)CC1(O)CCC1 P46731 [0,1,0,1,0,0|1,0,1]=4 828 B9R1.171 CC1(CC(=O)O)CCC1 P43813 [0,1,0,1,0,0|0,0,0]=2 829 B9R1.171 NC(=O)CC1(N)CCC1 P48446 [0,1,0,1,0,0|1,0,0]=3 830 B9R1.171 NC(=O)CC1(N)CCC1 P48456 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.171 NC1(CC(=O)O)CCC1 O33409 [0,1,0,1,0,0|0,0,0]=2 832 B9R1.171 NC1(CC(=O)O)CCC1 P41637 [0,1,0,1,0,0|0,0,0]=2 833 B9R1.171 NC1(CC(=O)O)COC1 Q56681 [0,1,0,1,0,0|1,0,0]=3 834 B9R1.171 O=C(O)CC1(F)COC1 Q64401 [0,1,0,1,0,0|1,0,0]=3 835 B9R1.171 O=C(O)CC1(O)CCC1 P44813 [0,1,0,1,0,0|0,0,0]=2 836 B9R1.171 O=C(O)CC1(O)COC1 Q55874 [0,1,0,1,0,0|1,0,0]=3 837 B9R1.171 O=[N+]([O-])CC1(O)CCC1 P44003 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.177 CC1(CC#N)CC(=O)C1 P47757 [0,1,0,1,0,0|1,0,1]=4 839 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,1,0,1,0,0|1,0,1]=4 840 B9R1.2 CC1CC(CN)CCO1 Q57803 [0,1,0,1,0,0|1,0,1]=4 841 B9R1.2 CC1CC(CN)CCO1 Q57804 [0,1,0,1,0,0|1,0,1]=4 842 B9R1.2 CC1CC(CO)CCO1 Q57696 [0,1,0,1,0,0|1,0,1]=4 843 B9R1.2 CC1CCCC(C=O)C1 Q59550 [0,1,0,1,0,0|1,0,1]=4 844 B9R1.2 CC1CCCC(CO)C1 Q59549 [0,1,0,1,0,0|1,0,1]=4 845 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.2 CCC1CC(O)CCO1 Q57706 [0,1,0,1,0,0|1,0,1]=4 847 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.2 COC1CCCC(=O)C1 P44206 [0,1,0,1,0,0|1,0,0]=3 849 B9R1.2 COC1CCCC(O)C1 L21478 [0,1,0,1,0,0|1,0,1]=4 850 B9R1.2 CO[C@@H]1CCC[C@@H](O)C1 P46941 [0,1,0,1,0,0|1,0,1]=4 851 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P46930 [0,1,0,1,0,0|1,0,1]=4 852 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P47713 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P46929 [0,1,0,1,0,0|1,0,1]=4 854 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P45107 [0,1,0,1,0,0|1,0,1]=4 855 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P46656 [0,1,0,1,0,0|1,0,1]=4 856 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [0,1,0,1,0,0|0,0,1]=3 857 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,1,0,1,0,0|2,0,0]=4 858 B9R1.2 NCC1CCCC(O)C1 P49691 [0,1,0,1,0,0|1,0,1]=4 859 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,1,0,1,0,0|1,0,0]=3 860 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,1,0,1,0,0|1,0,0]=3 862 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,1,0,1,0,0|2,0,0]=4 863 B9R1.2 O=C1CCCC(CO)N1 10055 [0,1,0,1,0,0|2,0,0]=4 864 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,1,0,1,0,0|2,0,0]=4 865 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.124 COC1(OC)CC(=O)C1 P45667 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.124 O=C1CC(CF)(CF)C1 P48387 [0,1,0,1,0,0|2,0,0]=4 868 B9R1.124 O=C1CC(CO)(CO)C1 P43826 [0,1,0,1,0,0|2,0,0]=4 869 B9R1.23 CN1CC(CBr)CC1=O L20739 [0,1,0,1,0,0|2,0,0]=4 870 B9R1.23 CN1CC(CN)CC1=O I-9450 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.23 CN1CC(CN)CC1=O L18600 [0,1,0,1,0,0|2,0,0]=4 872 B9R1.23 CN1CC(CO)CC1=O L22372 [0,1,0,1,0,0|2,0,0]=4 873 B9R1.23 CN1C[C@@H](CN)CC1=O Q64125 [0,1,0,1,0,0|2,0,0]=4 874 B9R1.23 CN1C[C@H](CN)CC1=O Q64124 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.79 COC(=O)C=C1CCC1 P48215 [0,1,0,1,0,0|0,0,2]=4 876 B9R1.79 COC(=O)CC1CCC1 O28770 [0,1,0,1,0,0|0,0,0]=2 877 B9R1.79 COC(=O)CC1CNC1 C-3312 [0,1,0,1,0,0|1,0,0]=3 878 B9R1.79 COC(=O)CC1CNC1 C-3312-1 [0,1,0,1,0,0|1,0,0]=3 879 B9R1.79 COC(=O)CC1CNC1 P34702 [0,1,0,1,0,0|1,0,0]=3 880 B9R1.79 COC(=O)CC1COC1 G-5284 [0,1,0,1,0,0|1,0,0]=3 881 B9R1.79 COC(=O)NC1CNC1 P47019 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.79 COC(=O)NC1CNC1 P48973 [0,1,0,1,0,0|2,0,0]=4 883 B9R1.79 O=C(CBr)CC1CCC1 P47346 [0,1,0,1,0,0|1,0,0]=3 884 B9R1.88 COC(=O)C1CC1CN I-9340 [0,1,0,1,0,0|1,0,0]=3 885 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO Q54349 [0,1,0,1,0,0|1,0,0]=3 886 B9R1.161 NC(=O)C1CC1C(=O)O L22401 [0,1,0,1,0,0|1,0,1]=4 887 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Q70062 [0,1,0,1,0,0|1,0,1]=4 888 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O L14135 [0,1,0,1,0,0|1,0,1]=4 889 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O L14179 [0,1,0,1,0,0|1,0,1]=4 890 B9R1.170 O=C(O)CC1CC1(F)F L14164 [0,1,0,1,0,0|1,0,0]=3 891 B9R1.114 NS(=O)(=O)CC1CCC1 P45606 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.114 O=S(=O)(Cl)CC1CCC1 P49293 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.166 CC1(C)CCC1C(=O)O P45623 [0,1,0,1,0,0|0,0,0]=2 894 B9R1.166 CC1(C)CN[C@@H]1C(=O)O L13876 [0,1,0,1,0,0|1,0,0]=3 895 B9R1.166 CC1(C)CN[C@H]1C(=O)O P46143 [0,1,0,1,0,0|1,0,0]=3 896 B9R1.166 CC1(C)OCC1C(=O)O Q52795 [0,1,0,1,0,0|1,0,0]=3 897 B9R1.166 O=C(O)C1CCC1(F)F F-4689 [0,1,0,1,0,0|1,0,0]=3 898 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,2,0,0|1,0,0]=3 899 B9R2.33 O=C1NC2CCC2O1 Q58026 [0,0,0,2,0,0|1,0,0]=3 900 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,2,0,0|2,0,0]=4 901 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,2,0,0|2,0,0]=4 902 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,2,0,0|2,0,0]=4 903 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,2,0,0|2,0,0]=4 904 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,2,0,0|2,0,0]=4 905 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,2,0,0|1,0,0]=3 906 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,2,0,0|1,0,0]=3 907 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,2,0,0|2,0,0]=4 908 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,2,0,0|2,0,0]=4 909 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,2,0,0|2,0,0]=4 910 B9R2.39 OC1CC2CCC1C2 P47714 [0,0,0,2,0,0|1,0,1]=4 911 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P45404 [0,0,0,2,0,0|1,0,1]=4 912 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 K13497 [0,0,0,2,0,0|1,0,1]=4 913 B9R2.110 OC12CCC(CC1)C2 P45527 [0,0,0,2,0,0|1,0,1]=4 914 B9R2.139 O=C1CC2(CC2)CO1 O33397 [0,0,0,2,0,0|0,0,0]=2 915 B9R2.139 O=C1CCC2(CC2)C1 Q62619 [0,0,0,2,0,0|1,0,0]=3 916 B9R2.139 OC1CCC2(CC2)C1 Q62620 [0,0,0,2,0,0|1,0,1]=4 917 B9R2.8 O=C1CC2CC(C1)C2 P47305 [0,0,0,2,0,0|1,0,0]=3 918 B9R2.8 OC1CC2CC(C1)C2 P48685 [0,0,0,2,0,0|1,0,1]=4 919 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,2,0,0|1,0,0]=3 920 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,2,0,0|2,0,0]=4 921 B9R2.25 O=C1OC(=O)C2CC12 D-2718 [0,0,0,2,0,0|1,0,1]=4 922 B9R2.38 CC12CC(=O)CC1C2 Q63055 [0,0,0,2,0,0|1,0,0]=3 923 B9R2.96 OC12CCCC(C1)C2 P48879 [0,0,0,2,0,0|1,0,1]=4 924 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,2,0,0|1,0,0]=3 925 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,2,0,0|2,0,0]=4 926 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,2,0,0|2,0,0]=4 927 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,2,0,0|1,0,0]=3 928 B9R2.109 OC1CCCC2CC12 Q63664 [0,0,0,2,0,0|1,0,1]=4 929 B9R2.109 O[C@@H]1CCC[C@@H]2C[C@H]12 Q63667 [0,0,0,2,0,0|1,0,1]=4 930 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63665 [0,0,0,2,0,0|1,0,1]=4 931 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63666 [0,0,0,2,0,0|1,0,1]=4 932 B9R2.144 O=C(O)C12CCC1C2 Q54741 [0,0,0,2,0,0|0,0,0]=2 933 B9R2.147 O=C(O)C1C2CC1C2 Q53412 [0,0,0,2,0,0|0,0,0]=2 934 B9R2.138 O=C1CC2(CCC2)C1 I-9995 [0,0,0,2,0,0|1,0,0]=3 935 B9R2.138 O=C1CC2(CCC2)N1 Q70166 [0,0,0,2,0,0|1,0,0]=3 936 B9R2.138 O=C1CC2(CNC2)C1 F-4151 [0,0,0,2,0,0|2,0,0]=4 937 B9R2.138 O=C1CC2(CNC2)C1 L14187 [0,0,0,2,0,0|2,0,0]=4 938 B9R2.138 O=C1CC2(CNC2)C1 Q52715 [0,0,0,2,0,0|2,0,0]=4 939 B9R2.138 O=C1CC2(COC2)C1 G-5107 [0,0,0,2,0,0|2,0,0]=4 940 B9R2.138 O=C1CC2(CSC2)C1 G-7804 [0,0,0,2,0,0|2,0,0]=4 941 B9R2.138 OC1CC2(CCC2)C1 L14371 [0,0,0,2,0,0|1,0,1]=4 942 B9R2.143 O=C(O)C1CC12CC2 L18059 [0,0,0,2,0,0|0,0,0]=2 943 B5R0.5 CC(C)S(N)=O O29745 [1,0,0,0,1,0|2,0,0]=4 944 B5R0.5 CC(N)C(N)=O P37963 [1,0,0,0,1,0|2,0,0]=4 945 B5R0.5 CC(O)C(N)=O P39940 [1,0,0,0,1,0|2,0,0]=4 946 B5R0.5 C[C@@H](O)C(N)=O P37171 [1,0,0,0,1,0|2,0,0]=4