0 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(=O)NNC(C)=O SBB067157 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 CC(C)=NNC(N)=O SBB111787 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 CC(C)=NNC(N)=S SBB066571 [0,0,0,0,0,0|3,1,0]=4 6 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.6 CC(C)CCC(C)O SBB061318 [0,0,0,0,0,0|1,0,3]=4 8 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.6 CC(O)COC(C)C SBB061008 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 N=C(N)NCC(=O)O SBB028198 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.6 NC(=O)\C=C/C(=O)O SBB007773 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 NC(=O)\C=C\C(N)=O SBB000043 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.6 NC(=S)NCC(=O)O SBB057116 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.6 O=C(Cl)CCC(=O)Cl SBB061367 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 O=C(O)C#CC(=O)O SBB059645 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.6 O=C(O)CCC(=O)O SBB040562 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.6 O=C(O)\C=C/C(=O)O SBB040567 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.6 O=C(O)\C=C\C(=O)O SBB008547 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.6 O=C([O-])C#CC(=O)O SBB008993 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.4 C#CCCC(=O)O SBB009121 [1,0,0,0,0,0|0,0,3]=4 22 B6R0.4 C=CCCC(=O)O SBB061214 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.4 CC(=O)NCCO SBB007954 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CC(C)COC=O SBB061244 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 CC(C)NCCO SBB056428 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 CCCCC(=O)O SBB053585 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.4 CCCCC(C)=O SBB061262 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 CCCCC(N)=O SBB028169 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 CCOCC(=O)O SBB069120 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.4 CCSCC(=O)O SBB047288 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,0,0,0,0|0,0,2]=3 33 B6R0.4 CNCCC(N)=O SBB080375 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 NCCCC(=O)O SBB028179 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,0,0,0,0|1,0,2]=4 36 B8R0.9 CC(C)OCC(=O)NN SBB080051 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.9 COC(=O)\C=C\C(=O)O SBB065854 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [0,1,0,0,0,0|0,0,2]=3 42 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,1,0,0,0,0|1,0,1]=3 43 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.9 OC(=O)\C=C/C(=O)NC SBB005847 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.23 C=C(NC(C)=O)C(=O)O SBB072716 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.23 CC(=O)NC(C)C(=O)O SBB000064 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,1,0,0,0,0|0,0,2]=3 53 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [0,1,0,0,0,0|1,0,2]=4 55 B8R0.23 CC(CC(=O)O)C(=O)O SBB061436 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.23 CN(CC(=O)O)C(=N)N SBB028240 [0,1,0,0,0,0|3,0,0]=4 57 B8R0.23 CN(CC(=O)O)C(=N)N SBB067296 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.23 C\C(=C\C(=O)O)C(=O)O SBB065853 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.23 NC(=O)CC(N)C(=O)O SBB058664 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SBB058629 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.23 NC(CC(=O)O)C(=O)O SBB015070 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.23 O=C(O)CC(=O)C(=O)O SBB065751 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.23 O=C(O)CC(Cl)C(=O)O SBB065943 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.23 O=C(O)CC(S)C(=O)O SBB058850 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SBB063599 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.23 O=C(O)C[C@H](O)C(=O)O SBB058687 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.29 CC(C)(N)CCC(=O)O SBB019066 [0,1,0,0,0,0|0,0,2]=3 68 B8R0.29 CS(=O)(=O)NCC(=O)O SBB049984 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.3 CC1=CC=C(O)C=C1 SBB040878 [0,0,0,1,0,0|1,0,2]=4 70 B8R1.3 CC1=CC=C(O)N=N1 SBB051111 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.3 CC1=CN=C(O)C=C1 SBB055600 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.3 CC1=CN=C(O)N=C1 SBB026947 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.3 CC1=CNC(=O)C=C1 SBB040121 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.3 CC1=NC=C(O)C=C1 SBB004349 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.3 O=C1CNC(=O)CN1 SBB079702 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.23 C=C1CC(C(=O)O)C1 SBB053430 [0,0,0,1,0,0|0,0,2]=3 80 B8R1.23 O=C1CC(C(=O)O)C1 SBB053464 [0,0,0,1,0,0|1,0,1]=3 81 B8R1.51 CC1=CC[S+](=O)([O-])C1 SBB041229 [0,0,0,1,0,0|1,0,1]=3 82 B8R1.51 O=S1(=O)CC=C(Cl)C1 SBB041204 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.77 CC1(C)CC1C(=O)O SBB053459 [0,0,0,1,0,0|0,0,2]=3 84 B8R1.77 CC1(C)CC1C(N)=O SBB056262 [0,0,0,1,0,0|1,0,2]=4 85 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,0,0,0,1,0|2,0,1]=4 86 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,0,0,1,0|1,0,0]=2 87 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,0,0,1,0|2,0,0]=3 88 B6R0.2 CC(=O)CC(C)C SBB060384 [0,0,0,0,1,0|1,0,1]=3 89 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,0,0,0,1,0|2,0,0]=3 90 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,0,0,0,1,0|2,0,0]=3 91 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,0,0,0,1,0|2,0,0]=3 92 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,0,0,0,1,0|0,0,0]=1 93 B6R0.2 CC(C)CB(O)O SBB062832 [0,0,0,0,1,0|1,0,2]=4 94 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,0,0,0,1,0|1,0,1]=3 95 B6R0.2 CC(C)CC(C)O SBB061337 [0,0,0,0,1,0|1,0,2]=4 96 B6R0.2 CC(C)CC(N)=O SBB028167 [0,0,0,0,1,0|1,0,1]=3 97 B6R0.2 CC(O)CC(=O)O SBB065815 [0,0,0,0,1,0|1,0,1]=3 98 B6R0.2 CC(O)CN(C)C SBB060002 [0,0,0,0,1,0|2,0,1]=4 99 B6R0.2 CN(C)CC(=O)O SBB065779 [0,0,0,0,1,0|1,0,0]=2 100 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,0,0,0,1,0|2,0,0]=3 101 B6R0.2 NC(=O)CC(N)=O SBB044920 [0,0,0,0,1,0|3,0,0]=4 102 B6R0.2 O=C(Cl)CC(=O)Cl SBB060017 [0,0,0,0,1,0|3,0,0]=4 103 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,0,0,0,1,0|2,0,0]=3 104 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,0,0,0,1,0|1,0,0]=2 105 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,0,0,0,0,1|1,0,1]=3 106 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,0,0,0,0,1|1,0,2]=4 107 B8R0.28 CC(=O)OCOC(C)=O SBB061325 [0,0,0,0,0,1|3,0,0]=4 108 B8R0.28 CC(=O)\C=C\C=C(C)C SBB008066 [0,0,0,0,0,1|1,0,1]=3 109 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,0,0,0,0,1|1,0,1]=3 110 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,0,0,0,0,1|0,0,2]=3 111 B8R0.28 N=C(N)SCCC(=O)O SBB065969 [0,0,0,0,0,1|2,0,1]=4 112 B8R0.28 NC(=O)COCC(=O)O SBB046438 [0,0,0,0,0,1|2,0,1]=4 113 B8R0.28 O=C(O)CCCC(=O)O SBB060277 [0,0,0,0,0,1|2,0,1]=4 114 B8R0.28 O=C(O)CNCC(=O)O SBB028457 [0,0,0,0,0,1|2,0,1]=4 115 B8R0.28 O=C(O)COCC(=O)O SBB058774 [0,0,0,0,0,1|2,0,1]=4 116 B8R0.28 O=C(O)CSCC(=O)O SBB056921 [0,0,0,0,0,1|2,0,1]=4 117 B8R0.28 O=C([O-])COCC(=O)O SBB060676 [0,0,0,0,0,1|2,0,1]=4 118 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,0,0,0,0,1|1,0,1]=3 119 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,0,0,0,0,1|1,0,1]=3 120 B5R0.1 C#CCC(=O)O SBB116169 [2,0,0,0,0,0|0,0,2]=4 121 B5R0.1 CC(C)=CCBr SBB061690 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CC(C)CCO SBB060162 [2,0,0,0,0,0|0,0,2]=4 123 B5R0.1 CCCC(=O)Cl SBB040624 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 COCC(=O)O SBB061376 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.1 CSCC(=O)O SBB053570 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.1 C\C(Cl)=C\CN SBB301293 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 O=C(O)CCBr SBB065770 [2,0,0,0,0,0|1,0,1]=4 128 B5R0.1 O=C(O)CCCl SBB069140 [2,0,0,0,0,0|1,0,1]=4 129 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,1,0,0,0,0|0,0,2]=4 130 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.4 CCCCCC(=O)O SBB053586 [1,1,0,0,0,0|0,0,2]=4 132 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,1,0,0,0,0|0,0,2]=4 133 B7R0.4 CCOCCC(=O)O SBB053607 [1,1,0,0,0,0|0,0,2]=4 134 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [1,1,0,0,0,0|0,0,1]=3 135 B7R0.4 NCCCCC(=O)O SBB061559 [1,1,0,0,0,0|0,0,2]=4 136 B7R0.4 O=C(O)CCCCBr SBB061343 [1,1,0,0,0,0|0,0,2]=4 137 B7R0.4 O=C(O)CCCCCl SBB061215 [1,1,0,0,0,0|0,0,2]=4 138 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,1,0,0,0,0|0,0,0]=2 139 B7R0.5 CC(NC=O)C(=O)O SBB047145 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,1,0,0,0,0|0,0,2]=4 141 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,1,0,0,0,0|0,0,2]=4 142 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [1,1,0,0,0,0|0,0,2]=4 146 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,1,0,0,1,0|1,0,1]=4 147 B7R0.9 CC(C)(C)CC(=O)Cl SBB058618 [0,1,0,0,1,0|1,0,1]=4 148 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,1,0,0,1,0|0,0,1]=3 149 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,1,0,0,1,0|0,0,1]=3 150 B7R0.9 C[N+](C)(C)CC(=O)[O-] SBB060872 [0,1,0,0,1,0|1,0,1]=4 151 B7R0.16 CC(=O)C(Cl)C(C)=O SBB058797 [0,1,0,0,1,0|2,0,0]=4 152 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,1,0,0,1,0|1,0,0]=3 153 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,1,0,0,1,0|1,0,1]=4 154 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,1,0,0,1,0|0,0,1]=3 155 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,1,0,0,1,0|0,0,1]=3 156 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,1,0,0,1,0|0,0,1]=3 157 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,1,0,0,1,0|1,0,1]=4 158 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,1,0,0,1,0|1,0,1]=4 159 B7R0.16 O=C(O)C(Cl)=C(Cl)Cl SBB089088 [0,1,0,0,1,0|2,0,0]=4 160 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [0,1,0,0,0,1|1,0,1]=4 161 B9R0.1 COC(=O)\C=C\CC(C)C SBB054119 [0,1,0,0,0,1|0,0,2]=4 162 B9R0.7 CC(C)=NOC(C)C(=O)O SBB069128 [0,1,0,0,0,1|1,0,0]=3 163 B9R0.7 CC(S)C(=O)NCC(=O)O SBB057668 [0,1,0,0,0,1|1,0,1]=4 164 B9R0.7 CN(C)C(=O)CCC(=O)O SBB008073 [0,1,0,0,0,1|1,0,0]=3 165 B9R0.7 C[S+](C)CCC(N)C(=O)O SBB067713 [0,1,0,0,0,1|1,0,1]=4 166 B9R0.7 O=C(O)CCC(=O)C(=O)O SBB056419 [0,1,0,0,0,1|2,0,0]=4 167 B9R0.7 OC(=O)C(CC[S+](C)C)N SBB017051 [0,1,0,0,0,1|1,0,1]=4 168 B9R0.7 OC(=O)[C@@H](CC[S+](C)C)N SBB017003 [0,1,0,0,0,1|1,0,1]=4 169 B9R0.53 CC(=O)CC(=O)OC(C)C SBB061713 [0,1,0,0,0,1|1,0,1]=4 170 B9R0.53 O=C(O)CC(=O)CC(=O)O SBB065807 [0,1,0,0,0,1|2,0,0]=4 171 B9R0.56 CC(C)(C)SCCC(=O)O SBB019266 [0,1,0,0,0,1|0,0,2]=4 172 B9R0.23 COC(=O)C(=O)CC(C)=O SBB004133 [0,2,0,0,0,0|2,0,0]=4 173 B9R0.23 COC(=O)C(C)CN(C)C SBB047158 [0,2,0,0,0,0|1,0,1]=4 174 B9R0.23 COC(=O)[C@@H](N)CC(C)C SBB302662 [0,2,0,0,0,0|0,0,2]=4 175 B9R0.23 O=C(O)CC(Br)C(=O)CBr SBB074340 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.24 COC(=O)\C=C\C(=O)OC SBB008222 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.42 COC(=O)CC(=O)C(C)C SBB086341 [0,2,0,0,0,0|0,0,1]=3 179 B9R0.42 COC(=O)C[C@H](N)C(=O)O SBB065788 [0,2,0,0,0,0|1,0,1]=4 180 B9R0.48 CCNC(=O)\C=C/C(=O)O SBB028463 [0,2,0,0,0,0|1,0,1]=4 181 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [0,2,0,0,0,0|1,0,1]=4 183 B9R0.48 OC(=O)CSC(=S)OCC SBB058117 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.39 CC(=O)NC(CO)C(=O)O SBB028465 [0,2,0,0,0,0|2,0,0]=4 185 B9R0.39 CC(=O)NC(CS)C(=O)O SBB007593 [0,2,0,0,0,0|2,0,0]=4 186 B7R1.2 N1N=C(C)CC1=O SBB004372 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.2 O=C1CCC(=O)O1 SBB040819 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.2 O=C1COC(=O)C1 SBB008561 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|0,0,2]=4 191 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [1,0,0,1,0,0|0,0,2]=4 192 B7R1.14 O=S1(=O)CC=CC1 SBB040827 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.18 O=C(O)C1CCC1 SBB053465 [1,0,0,1,0,0|0,0,2]=4 194 B7R1.18 O=C(O)C1CCN1 SBB053470 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.18 O=C(O)C1CNC1 SBB027353 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.20 O=C(O)CC1CC1 SBB005442 [1,0,0,1,0,0|0,0,2]=4 198 B9R1.35 CC1=CC(C(=O)O)=CS1 SBB009287 [0,0,0,1,0,1|0,0,2]=4 199 B9R1.35 CC1=CC=C(C(=O)O)O1 SBB005609 [0,0,0,1,0,1|1,0,1]=4 200 B9R1.35 CC1=CN=C(C(=O)O)S1 SBB053120 [0,0,0,1,0,1|1,0,1]=4 201 B9R1.35 CC1=CSC(C(=O)O)=C1 SBB017915 [0,0,0,1,0,1|0,0,2]=4 202 B9R1.35 CC1=CSC(C(=O)O)=N1 SBB053102 [0,0,0,1,0,1|1,0,1]=4 203 B9R1.35 CC1=NC(C(=O)O)=CO1 SBB019457 [0,0,0,1,0,1|1,0,1]=4 204 B9R1.35 CC1=NC(C(=O)O)=CS1 SBB053121 [0,0,0,1,0,1|1,0,1]=4 205 B9R1.35 CC1=NC=C(C(=O)O)S1 SBB053124 [0,0,0,1,0,1|1,0,1]=4 206 B9R1.35 CC1=NOC(C(=O)O)C1 SBB050121 [0,0,0,1,0,1|1,0,0]=3 207 B9R1.35 O=C1CCC(C(=O)O)C1 SBB069114 [0,0,0,1,0,1|1,0,1]=4 208 B9R1.35 OC(=O)C1=CC=C(C)S1 SBB004146 [0,0,0,1,0,1|1,0,1]=4 209 B9R1.69 CC1=CC=C(O)C=C1C SBB060427 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,1,0,1,0,0|0,0,2]=4 211 B9R1.133 O=S1(=O)CC=C(CBr)C1 SBB002483 [0,1,0,1,0,0|1,0,1]=4 212 B9R1.38 C=C1OC(=O)OC1(C)C SBB001554 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.112 N[C@@H](CC1CC1)C(=O)O SBB065934 [0,1,0,1,0,0|0,0,2]=4 214 B5R0.5 CC(Br)C(=O)O SBB060286 [0,0,0,0,2,0|1,0,1]=4 215 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,0,0,0,2,0|1,0,1]=4 216 B5R0.5 CC(O)C(=O)O SBB065762 [0,0,0,0,2,0|1,0,1]=4 217 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,0,0,0,2,0|2,0,0]=4 218 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,0,0,0,2,0|1,0,1]=4 219 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,0,0,0,0,2|1,0,1]=4 220 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,0,0,0,0,2|1,0,1]=4 221 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,0,0,0,0,2|0,0,2]=4