0 B7R1.2 CC1=NC(=O)NN1 O30153 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 CC1CNC(=O)C1 L13710 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 CC1CNC(=O)O1 P51279 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 N=C1CSC(=O)N1 L20743 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 NC1=CC(=O)CC1 O29931 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.2 NC1CNC(=O)C1 G-6478 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 NC1CNC(=O)C1 L13560 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 O=C1C=C(Br)CN1 H-8451 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 O=C1CC(O)CN1 P39299 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,0,0,0,0,0|2,0,1]=3 17 B7R1.2 O=C1CCC(F)C1 Q55724 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.2 O=C1CCC(O)C1 H-8145 [0,0,0,0,0,0|1,0,2]=3 19 B7R1.2 O=C1CNC(=O)C1 L18257 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,0,0,0,0,0|2,1,1]=4 22 B7R1.2 S=C1CCC(=S)N1 M15166 [0,0,0,0,0,0|1,2,0]=3 23 B6R1.2 BrC1=CC=CO1 P37236 [1,0,0,0,0,0|1,0,2]=4 24 B6R1.2 IC1=COCC1 Q53484 [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 IC1=NC=CO1 G-7159 [1,0,0,0,0,0|2,0,1]=4 26 B6R1.2 NC1=NC=CO1 E-3055 [1,0,0,0,0,0|2,0,1]=4 27 B6R1.2 O=C1C=CSN1 K10928 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,0,0,0|2,0,0]=3 29 B6R1.2 O=C1CCNC1 S72535 [1,0,0,0,0,0|2,0,0]=3 30 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,0,0,0|2,0,0]=3 31 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,0,0,0|2,0,0]=3 32 B6R1.2 OC1C=CCC1 Q62924 [1,0,0,0,0,0|1,0,2]=4 33 B6R1.2 S=C1NC=CO1 L19666 [1,0,0,0,0,0|1,1,1]=4 34 B6R1.2 S=C1NCCO1 O31137 [1,0,0,0,0,0|1,1,1]=4 35 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.1 NCC1CNC(=O)O1 L13152 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,1,0,0,0,0|1,0,2]=4 46 B8R1.1 O=C1CCC(CO)N1 M23573 [0,1,0,0,0,0|1,0,2]=4 47 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,1,0,0,0,0|1,0,2]=4 51 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,1,0,0,0,0|0,0,2]=3 52 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,1,0,0,0,0|1,0,2]=4 55 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,1,0,0,0,0|1,0,2]=4 56 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,1,0,0,0,0|1,0,2]=4 57 B8R1.18 CN1CC(=O)CC1=O Q55049 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.50 CC1=C(O)COC1=O O32297 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.50 CC1C(=O)CCN1C Q52697 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.50 O=C1CCC(O)=C1F Q54658 [0,1,0,0,0,0|1,0,1]=3 62 B8R1.50 O=C1CCC(O)=C1I Q54659 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.51 O=C1CCC(F)(F)C1 H-8755 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.51 O=C1CCS(=O)(=O)C1 P40591 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.1 CCC(=O)CC#N P38761 [0,0,1,0,0,0|2,0,1]=4 68 B6R0.2 CC(=O)NC(C)C P50955 [0,0,1,0,0,0|2,0,1]=4 69 B6R0.4 CCNCC(=O)O P37534 [0,0,1,0,0,0|2,0,1]=4 70 B6R0.4 CNCCC(=O)O P36779 [0,0,1,0,0,0|2,0,0]=3 71 B6R0.4 CNCCC(=O)O P39205 [0,0,1,0,0,0|2,0,0]=3 72 B6R0.4 CNCCC(N)=O P37896 [0,0,1,0,0,0|3,0,0]=4 73 B6R0.4 O=CNCC(=O)O P39379 [0,0,1,0,0,0|1,0,0]=2 74 B6R0.4 [N-]=[N+]=NCC(=O)O P40297 [0,0,1,0,0,0|3,0,0]=4 75 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,1,0,0|2,0,1]=4 76 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,1,0,0|2,0,1]=4 77 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,1,0,0|2,0,1]=4 78 B6R1.4 CC1CCC1=O P47956 [0,0,0,0,1,0|1,0,1]=3 79 B6R1.4 CC1OCC1=O L18036 [0,0,0,0,1,0|2,0,1]=4 80 B6R1.4 NN1CCC1=O P48248 [0,0,0,0,1,0|2,0,0]=3 81 B6R1.4 N[C@@H]1CNC1=O P44692 [0,0,0,0,1,0|2,0,1]=4 82 B6R1.4 N[C@@H]1CNC1=O P50494 [0,0,0,0,1,0|2,0,1]=4 83 B6R1.4 N[C@H]1CNC1=O P44185 [0,0,0,0,1,0|2,0,1]=4 84 B6R1.4 N[C@H]1CNC1=O Q52584 [0,0,0,0,1,0|2,0,1]=4 85 B6R1.4 O=C1CCC1Br P49445 [0,0,0,0,1,0|1,0,1]=3 86 B6R1.4 O=C1CCC1O P47312 [0,0,0,0,1,0|0,0,2]=3 87 B6R1.4 O=C1NCC1O P45440 [0,0,0,0,1,0|1,0,2]=4 88 B6R1.5 CC1CC(=O)C1 L18001 [0,0,0,0,1,0|2,0,1]=4 89 B6R1.5 CN1CC(=O)C1 L18430 [0,0,0,0,1,0|3,0,0]=4 90 B6R1.5 CN1CC(=O)C1 P49738 [0,0,0,0,1,0|3,0,0]=4 91 B6R1.5 NC1CC(=O)C1 C-3677 [0,0,0,0,1,0|2,0,1]=4 92 B6R1.5 NC1CC(=O)C1 P44186 [0,0,0,0,1,0|2,0,1]=4 93 B6R1.5 O=C1CC(Br)C1 G-6311 [0,0,0,0,1,0|2,0,1]=4 94 B6R1.5 O=C1CC(F)C1 H-8760 [0,0,0,0,1,0|2,0,1]=4 95 B6R1.5 O=C1CC(O)C1 F-4733 [0,0,0,0,1,0|1,0,2]=4 96 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,0,0,0,0,1|2,0,0]=3 97 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,0,0,0,0,1|2,0,1]=4 98 B8R1.3 CC1CCC(=O)NC1 L13409 [0,0,0,0,0,1|2,0,1]=4 99 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,0,0,0,0,1|2,0,1]=4 100 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,0,0,0,0,1|2,0,1]=4 101 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,0,0,0,0,1|2,0,1]=4 102 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,0,0,0,0,1|2,0,1]=4 103 B8R1.3 NC1CCC(=O)CC1 P36686 [0,0,0,0,0,1|2,0,1]=4 104 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,0,0,0,0,1|2,0,1]=4 105 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,0,0,0,0,1|2,0,1]=4 106 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,0,0,0,0,1|2,0,1]=4 107 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,0,0,0,0,1|1,0,0]=2 108 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,0,0,0,0,1|0,0,0]=1 109 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,0,0,0,0,1|2,0,1]=4 110 B8R1.3 O=C1CCC(F)CC1 L21631 [0,0,0,0,0,1|2,0,1]=4 111 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,0,0,0,0,1|2,0,1]=4 112 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,0,0,0,0,1|1,0,2]=4 113 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,0,0,0,0,1|2,0,0]=3 114 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,0,0,0,0,1|2,0,1]=4 115 B8R1.4 CC1CC(=O)CCO1 A-836 [0,0,0,0,0,1|2,0,1]=4 116 B8R1.4 CC1CCNC(=O)C1 L13355 [0,0,0,0,0,1|2,0,1]=4 117 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,0,0,0,0,1|3,0,0]=4 118 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,0,0,0,0,1|2,0,1]=4 119 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,0,0,0,0,1|2,0,1]=4 120 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,0,0,0,0,1|2,0,1]=4 121 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,0,0,0,0,1|2,0,1]=4 122 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,0,0,0,0,1|2,0,1]=4 123 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,0,0,0,0,1|2,0,1]=4 124 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,0,0,0,0,1|2,0,1]=4 125 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,0,0,0,0,1|2,0,1]=4 126 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,0,0,0,0,1|2,0,1]=4 127 B8R1.4 NC1=CC(=O)COC1 O33523 [0,0,0,0,0,1|2,0,0]=3 128 B8R1.4 NC1CCCC(=O)C1 P48005 [0,0,0,0,0,1|2,0,1]=4 129 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,0,0,0,0,1|2,0,1]=4 130 B8R1.4 NC1COCC(=O)C1 P46448 [0,0,0,0,0,1|2,0,1]=4 131 B8R1.4 NC1COCC(=O)C1 Q61511 [0,0,0,0,0,1|2,0,1]=4 132 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,0,0,0,0,1|2,0,1]=4 133 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,0,0,0,0,1|1,0,0]=2 134 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,0,0,0,0,1|2,0,1]=4 135 B8R1.4 O=C1CCCC(F)C1 P43987 [0,0,0,0,0,1|2,0,1]=4 136 B8R1.4 O=C1CCCC(O)C1 L18346 [0,0,0,0,0,1|1,0,2]=4 137 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,0,0,0,0,1|1,0,2]=4 138 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,0,0,0,0,1|1,0,0]=2 139 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,0,0,0,0,1|1,0,0]=2 140 B8R1.4 O=C1CNCC(=O)N1 L14058 [0,0,0,0,0,1|1,0,0]=2 141 B8R1.4 O=C1COCC(=O)C1 G-6233 [0,0,0,0,0,1|1,0,0]=2 142 B8R1.4 O=C1COCC(=O)N1 P38066 [0,0,0,0,0,1|1,0,0]=2 143 B8R1.4 O=C1COCC(F)C1 Q54617 [0,0,0,0,0,1|2,0,1]=4 144 B8R1.4 O=C1COCC(O)C1 Q54616 [0,0,0,0,0,1|1,0,2]=4 145 B8R1.4 O=C1CSCC(=O)C1 O33436 [0,0,0,0,0,1|1,0,0]=2 146 B5R0.1 O=C(O)CCF A-698 [1,0,1,0,0,0|1,0,0]=3 147 B5R1.1 C1=COC=N1 G-5929 [2,0,0,0,0,0|1,0,1]=4 148 B7R0.2 CCC(=O)CC(=O)O P43007 [0,1,1,0,0,0|1,0,0]=3 149 B7R0.2 CCC(=O)CC(C)=O O31794 [0,1,1,0,0,0|1,0,0]=3 150 B7R0.2 CNC(=O)CC(=O)O P38150 [0,1,1,0,0,0|2,0,0]=4 151 B7R0.7 CCOC(=O)CCI P36879 [0,1,1,0,0,0|1,0,1]=4 152 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [0,1,1,0,0,0|1,0,1]=4 153 B7R0.4 C#CCNCC(=O)O L20673 [0,1,1,0,0,0|1,0,1]=4 154 B7R0.4 C#CCOCC(=O)O O29707 [0,1,1,0,0,0|1,0,1]=4 155 B7R0.4 C=CCOCC(=O)O P39548 [0,1,1,0,0,0|1,0,0]=3 156 B7R0.4 COCCCC(=O)O P39031 [0,1,1,0,0,0|0,0,2]=4 157 B7R0.4 NCCNCC(=O)O O28634 [0,1,1,0,0,0|1,0,1]=4 158 B7R0.4 NCCOCC(=O)O P35961 [0,1,1,0,0,0|1,0,1]=4 159 B7R0.4 [N-]=[N+]=NCCC(=O)O 10071 [0,1,1,0,0,0|2,0,0]=4 160 B7R0.6 CC(C)=CCC(=O)O P43260 [0,1,1,0,0,0|1,0,1]=4 161 B7R0.6 O=C(O)CCC(F)F S72753 [0,1,1,0,0,0|1,0,1]=4 162 B7R1.1 O=CC1=CCCC1 O33977 [1,1,0,0,0,0|1,0,1]=4 163 B7R1.1 O=CC1=CCCO1 O29864 [1,1,0,0,0,0|0,0,2]=4 164 B7R1.1 O=CC1=CN=CO1 I-9061 [1,1,0,0,0,0|1,0,1]=4 165 B7R1.4 CC1CCNC1=O O30375 [1,1,0,0,0,0|1,0,1]=4 166 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,1,0,0,0,0|1,0,1]=4 167 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,1,0,0,0,0|1,0,1]=4 168 B7R1.4 NC1CCNC1=O F-4440 [1,1,0,0,0,0|1,0,1]=4 169 B7R1.4 NN1CCCC1=O P51102 [1,1,0,0,0,0|1,0,1]=4 170 B7R1.4 N[C@@H]1CCNC1=O F-4458 [1,1,0,0,0,0|1,0,1]=4 171 B7R1.4 N[C@H]1CCNC1=O F-4459 [1,1,0,0,0,0|1,0,1]=4 172 B7R1.4 N[C@H]1CCNC1=O L14236 [1,1,0,0,0,0|1,0,1]=4 173 B7R1.4 O=C1CCC=C1O A-670 [1,1,0,0,0,0|1,0,0]=3 174 B7R1.4 O=C1CCCC1=O L19145 [1,1,0,0,0,0|1,0,1]=4 175 B7R1.4 O=C1CCCC1O Q61720 [1,1,0,0,0,0|1,0,1]=4 176 B7R1.4 O=C1CCNC1=O Q62042 [1,1,0,0,0,0|2,0,0]=4 177 B7R1.4 O=C1NCCC1Br O31241 [1,1,0,0,0,0|1,0,1]=4 178 B7R1.4 O=C1NCCC1F Q62170 [1,1,0,0,0,0|1,0,1]=4 179 B7R1.4 O=C1NCCC1O D-2532 [1,1,0,0,0,0|1,0,1]=4 180 B7R1.4 O=C1NCC[C@@H]1F Q63592 [1,1,0,0,0,0|1,0,1]=4 181 B7R1.4 O=C1NCC[C@@H]1O F-4184 [1,1,0,0,0,0|1,0,1]=4 182 B7R1.4 O=C1NCC[C@H]1F Q63593 [1,1,0,0,0,0|1,0,1]=4 183 B7R1.4 O=C1NCC[C@H]1O O30124 [1,1,0,0,0,0|1,0,1]=4 184 B7R1.14 O=S1(=O)CCC=N1 G-7785 [1,1,0,0,0,0|2,0,0]=4 185 B7R1.8 COC1CCC1=O P45632 [0,1,0,0,1,0|0,0,2]=4 186 B7R1.8 O=C1CCC1CO L18510 [0,1,0,0,1,0|0,0,2]=4 187 B7R1.15 CN1CC(N)C1=O P45666 [0,1,0,0,1,0|2,0,0]=4 188 B7R1.15 CN1C[C@@H](N)C1=O P46164 [0,1,0,0,1,0|2,0,0]=4 189 B7R1.15 CN1C[C@H](N)C1=O P45267 [0,1,0,0,1,0|2,0,0]=4 190 B7R1.17 CC1(C)CCC1=O Q54759 [0,1,0,0,1,0|1,0,1]=4 191 B7R1.10 O=C1CC(CBr)O1 Q57248 [0,1,0,0,1,0|1,0,1]=4 192 B7R1.16 O=C1CS(=O)(=O)C1 H-8152 [0,1,0,0,1,0|2,0,0]=4 193 B9R1.10 O=C1CCS(=O)(=O)CC1 P40534 [0,1,0,0,0,1|2,0,0]=4 194 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,1,0,0,0,1|1,0,1]=4 195 B9R1.2 C#CC1=CC(=O)CCC1 P49199 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.3 CN1C(=O)CNCC1=O P45383 [0,1,0,0,0,1|1,0,0]=3 197 B9R1.3 O=C1CCCC(O)=C1Cl P44934 [0,1,0,0,0,1|1,0,1]=4 198 B9R1.3 O=C1CCCC(O)=C1F O33419 [0,1,0,0,0,1|1,0,1]=4 199 B9R1.3 O=C1CCCC(O)=C1I L22382 [0,1,0,0,0,1|1,0,1]=4 200 B9R1.3 O=C1COCC(=O)C1I Q54497 [0,1,0,0,0,1|1,0,0]=3 201 B9R1.3 O=C1COCC(O)=C1I Q54496 [0,1,0,0,0,1|1,0,1]=4 202 B9R1.34 CC1=CC(=O)OC(=O)C1 Q65178 [0,1,0,0,0,1|0,0,1]=3 203 B9R1.34 CC1CC(=O)CC(=O)N1 O29819 [0,1,0,0,0,1|1,0,0]=3 204 B9R1.34 CC1CC(=O)CC(=O)O1 H-8797 [0,1,0,0,0,1|1,0,0]=3 205 B9R1.34 CN1CC(=O)OC(=O)C1 Q70106 [0,1,0,0,0,1|0,0,0]=2 206 B9R1.34 NC1CC(=O)NC(=O)C1 L21721 [0,1,0,0,0,1|1,0,0]=3 207 B9R1.34 NC1CC(=O)NC(=O)N1 Q57215 [0,1,0,0,0,1|1,0,0]=3 208 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 L22312 [0,2,0,0,0,0|0,0,2]=4 209 B9R1.35 O=C1C=C(C(=O)O)CC1 O30224 [0,2,0,0,0,0|1,0,0]=3 210 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [0,2,0,0,0,0|1,0,1]=4 211 B9R1.35 O=C1CCC(C(=O)O)S1 I-9617 [0,2,0,0,0,0|0,1,1]=4 212 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [0,2,0,0,0,0|1,0,1]=4 213 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 G-7802 [0,2,0,0,0,0|0,0,1]=3 214 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [0,2,0,0,0,0|1,0,1]=4 215 B9R1.125 C[C@@]1(C=O)CCC(=O)N1 Q65047 [0,2,0,0,0,0|1,0,1]=4 216 B9R1.132 COC1=C(Br)C(=O)CC1 Q53459 [0,2,0,0,0,0|1,0,1]=4 217 B9R1.37 CC1C(=O)CC(=O)N1C O29270 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.37 CN1C(=O)CC(N)C1=O L22390 [0,2,0,0,0,0|1,0,0]=3 219 B9R1.37 CN1CC(=O)N(C)C1=O L20359 [0,2,0,0,0,0|2,0,0]=4 220 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C Q61780 [0,2,0,0,0,0|1,0,0]=3 221 B9R1.37 C[C@H]1C(=O)OC(=O)N1C L21620 [0,2,0,0,0,0|1,0,0]=3 222 B9R1.38 CC1(Br)CC(=O)NC1=O Q53545 [0,2,0,0,0,0|1,0,0]=3 223 B7R1.3 O=C1C=COCC1 Q54629 [0,0,1,1,0,0|1,0,1]=4 224 B7R1.3 O=C1CC=CCC1 Q53604 [0,0,1,1,0,0|2,0,0]=4 225 B7R1.18 O=C(O)C1CCN1 B-1112 [0,0,1,1,0,0|1,0,1]=4 226 B7R1.18 O=C(O)C1CCO1 D-2702 [0,0,1,1,0,0|0,0,2]=4 227 B7R1.18 O=C(O)C1CNC1 A-422 [0,0,1,1,0,0|2,0,0]=4 228 B7R1.18 O=C(O)C1CNC1 P42961 [0,0,1,1,0,0|2,0,0]=4 229 B7R1.18 O=C(O)C1COC1 A-970 [0,0,1,1,0,0|2,0,0]=4 230 B7R1.18 O=C(O)C1CSC1 H-8019 [0,0,1,1,0,0|2,0,0]=4 231 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,0,1,1,0,0|1,0,1]=4 232 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,0,1,1,0,0|1,0,1]=4 233 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,0,1,1,0,0|0,0,2]=4 234 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,0,1,1,0,0|1,0,1]=4 235 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,0,1,1,0,0|1,0,1]=4 236 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,0,1,1,0,0|0,0,2]=4 237 B9R2.25 O=C1OC(=O)C2CC12 D-2718 [0,0,0,1,0,1|0,0,0]=2 238 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,1,0,1|1,0,1]=4 239 B9R2.39 O=C1OC2CNC1C2 L19710 [0,0,0,1,0,1|1,0,1]=4 240 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 P45200 [0,0,0,1,0,1|1,0,1]=4 241 B5R1.2 C=C1CCC1 P49771 [1,0,0,0,1,0|1,0,1]=4 242 B5R1.2 CC1CCO1 Q53239 [1,0,0,0,1,0|1,0,1]=4 243 B5R1.2 C[C@@H]1CCO1 Q53238 [1,0,0,0,1,0|1,0,1]=4 244 B5R1.2 C[C@H]1CCO1 Q53237 [1,0,0,0,1,0|1,0,1]=4 245 B5R1.2 O=C1CCN1 P35040 [1,0,0,0,1,0|1,0,0]=3 246 B5R1.2 O=C1CNC1 C-2452 [1,0,0,0,1,0|1,0,1]=4 247 B5R1.2 O=C1COC1 A-880 [1,0,0,0,1,0|1,0,1]=4 248 B5R1.2 O=C1CSC1 A-895 [1,0,0,0,1,0|1,0,1]=4 249 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,0,0,0,0,2|1,0,0]=3