0 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.6 CC(=O)NNC(C)=O SBB067157 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 CC(C)=NNC(N)=O SBB111787 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.6 CC(C)CCC(C)O SBB061318 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.6 N=C(N)NCC(=O)O SBB028198 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 NC(=O)NNC(N)=O SBB111699 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.6 NC(=O)\C=C/C(=O)O SBB007773 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.6 NC(=O)\C=C\C(N)=O SBB000043 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.6 NC(=S)NCC(=O)O SBB057116 [0,0,0,0,0,0|2,1,0]=3 14 B7R0.6 O=C(Cl)CCC(=O)Cl SBB061367 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.6 O=C(O)C#CC(=O)O SBB059645 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.6 O=C(O)CCC(=O)O SBB040562 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.6 O=C(O)\C=C/C(=O)O SBB040567 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.6 O=C(O)\C=C\C(=O)O SBB008547 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.6 O=C([O-])C#CC(=O)O SBB008993 [0,0,0,0,0,0|1,0,2]=3 20 B6R0.4 C#CCCC(=O)O SBB009121 [1,0,0,0,0,0|0,0,2]=3 21 B6R0.4 C=CCCC(=O)O SBB061214 [1,0,0,0,0,0|0,0,1]=2 22 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CC(=O)NCCN SBB028176 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CC(=O)NCCO SBB007954 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CC(C)COC=O SBB061244 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CCCCC(=O)O SBB053585 [1,0,0,0,0,0|0,0,1]=2 29 B6R0.4 CCCCC(C)=O SBB061262 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 CCCCC(N)=O SBB028169 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.4 CCCNC(N)=O SBB028174 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CCCOC(C)=O SBB060305 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 CCCOC(N)=O SBB000036 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CCOCC(=O)O SBB069120 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.4 CCSCC(=O)O SBB047288 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,0,0,0,0|0,0,3]=4 38 B6R0.4 CNCCC(N)=O SBB080375 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 NCCCC(=O)O SBB028179 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,0,0,0,0|1,0,1]=3 42 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,0,0,0,0|0,0,0]=1 43 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,1,0,0,0,0|0,0,0]=1 45 B8R0.9 COC(=O)\C=C\C(=O)O SBB065854 [0,1,0,0,0,0|0,0,2]=3 46 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,1,0,0,0,0|0,0,0]=1 47 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,1,0,0,0,0|0,0,0]=1 48 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.9 OC(=O)\C=C/C(=O)NC SBB005847 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.23 C=C(NC(C)=O)C(=O)O SBB072716 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [0,1,0,0,0,0|0,0,0]=1 52 B8R0.23 CC(=O)NC(C)C(=O)O SBB000064 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.23 CC(CC(=O)O)C(=O)O SBB061436 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.23 CN(CC(=O)O)C(=N)N SBB028240 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.23 CN(CC(=O)O)C(=N)N SBB067296 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.23 C\C(=C\C(=O)O)C(=O)O SBB065853 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.23 NC(=O)CC(N)C(=O)O SBB058664 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SBB058629 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.23 NC(CC(=O)O)C(=O)O SBB015070 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.23 O=C(O)CC(=O)C(=O)O SBB065751 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.23 O=C(O)CC(Cl)C(=O)O SBB065943 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.23 O=C(O)CC(S)C(=O)O SBB058850 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SBB063599 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.23 O=C(O)C[C@H](O)C(=O)O SBB058687 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.29 CC(C)(N)CCC(=O)O SBB019066 [0,1,0,0,0,0|1,0,1]=3 70 B8R0.29 CS(=O)(=O)NCC(=O)O SBB049984 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.29 O=C(O)CCC(F)(F)F SBB051072 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,0,0,1,0,0|1,0,0]=2 75 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,0,0,1,0,0|1,0,1]=3 76 B8R1.3 O=C1CNC(=O)CN1 SBB079702 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.23 C=C1CC(C(=O)O)C1 SBB053430 [0,0,0,1,0,0|1,0,0]=2 78 B8R1.23 O=C1CC(C(=O)O)C1 SBB053464 [0,0,0,1,0,0|0,0,0]=1 79 B8R1.51 CC1=CS(=O)(=O)CC1 SBB041230 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.77 CC1(C)CC1C(=O)O SBB053459 [0,0,0,1,0,0|1,0,1]=3 81 B8R1.77 CC1(C)CC1C(N)=O SBB056262 [0,0,0,1,0,0|2,0,1]=4 82 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,0,0,0,1,0|3,0,0]=4 83 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,0,0,1,0|2,0,1]=4 84 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,0,0,1,0|1,0,0]=2 85 B6R0.2 CC(=O)CC(C)C SBB060384 [0,0,0,0,1,0|2,0,1]=4 86 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,0,0,0,1,0|1,0,0]=2 87 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,0,0,0,1,0|2,0,1]=4 88 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,0,0,0,1,0|1,0,2]=4 89 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,0,0,0,1,0|1,0,1]=3 90 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,0,0,0,1,0|2,0,1]=4 91 B6R0.2 CC(C)CC(N)=O SBB028167 [0,0,0,0,1,0|2,0,1]=4 92 B6R0.2 CC(O)CC(=O)O SBB065815 [0,0,0,0,1,0|0,0,2]=3 93 B6R0.2 CN(C)CC(=O)O SBB065779 [0,0,0,0,1,0|2,0,0]=3 94 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,0,0,0,1,0|1,0,0]=2 95 B6R0.2 NC(=O)CC(N)=O SBB044920 [0,0,0,0,1,0|2,0,0]=3 96 B6R0.2 NC(=O)C[N+](=O)[O-] SBB000037 [0,0,0,0,1,0|2,0,1]=4 97 B6R0.2 O=C(Cl)CC(=O)Cl SBB060017 [0,0,0,0,1,0|2,0,0]=3 98 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,0,0,0,1,0|1,0,0]=2 99 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,0,0,0,1,0|2,0,0]=3 100 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,0,0,0,0,1|0,0,0]=1 101 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,0,0,0,0,1|2,0,1]=4 102 B8R0.28 CC(=O)OCOC(C)=O SBB061325 [0,0,0,0,0,1|2,0,0]=3 103 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,0,0,0,0,1|2,0,1]=4 104 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,0,0,0,0,1|1,0,1]=3 105 B8R0.28 N=C(N)SCCC(=O)O SBB065969 [0,0,0,0,0,1|2,0,0]=3 106 B8R0.28 NC(=O)COCC(=O)O SBB046438 [0,0,0,0,0,1|1,0,0]=2 107 B8R0.28 NC(=O)CSCC(N)=O SBB058334 [0,0,0,0,0,1|2,0,0]=3 108 B8R0.28 O=C(O)CCCC(=O)O SBB060277 [0,0,0,0,0,1|1,0,0]=2 109 B8R0.28 O=C(O)CNCC(=O)O SBB028457 [0,0,0,0,0,1|1,0,0]=2 110 B8R0.28 O=C(O)COCC(=O)O SBB058774 [0,0,0,0,0,1|1,0,0]=2 111 B8R0.28 O=C(O)CSCC(=O)O SBB056921 [0,0,0,0,0,1|1,0,0]=2 112 B8R0.28 O=C([O-])COCC(=O)O SBB060676 [0,0,0,0,0,1|1,0,0]=2 113 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,0,0,0,0,1|2,0,0]=3 114 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,0,0,0,0,1|2,0,0]=3 115 B5R0.1 C#CCC(=O)O SBB116169 [2,0,0,0,0,0|0,0,2]=4 116 B5R0.1 CC(=O)CC#N SBB014113 [2,0,0,0,0,0|1,0,1]=4 117 B5R0.1 CC(=O)N=S=O SBB059583 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.1 CC(C)CCO SBB060162 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.1 CCCC(=O)Cl SBB040624 [2,0,0,0,0,0|1,0,0]=3 120 B5R0.1 CCOC(=O)Cl SBB040861 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 COCC(=O)O SBB061376 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CS(=O)CCN SBB050811 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 CSCC(=O)O SBB053570 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.1 O=C(O)CCBr SBB065770 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.1 O=C(O)CCCl SBB069140 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|1,0,1]=4 127 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,1,0,0,0,0|0,0,1]=3 128 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.3 C=CCNC(=O)CCl SBB085845 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.3 CCCCC(=O)NN SBB028196 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.3 CNCCC(=O)NC SBB046578 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.3 CNCCC(=O)NC SBB080433 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.3 N(N)C(=O)CCOC SBB059492 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.3 NNC(=O)CCCO SBB028199 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.4 C#CCCCC(=O)O SBB009090 [1,1,0,0,0,0|0,0,2]=4 136 B7R0.4 CCCC#CC(=O)O SBB009091 [1,1,0,0,0,0|0,0,2]=4 137 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.4 CCCCCC(=O)O SBB053586 [1,1,0,0,0,0|0,0,1]=3 139 B7R0.4 CCCCCC(C)=O SBB061125 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.4 CCCCCC(N)=O SBB061056 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.4 CCCCOC(N)=O SBB060819 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.4 CCOCCC(=O)O SBB053607 [1,1,0,0,0,0|0,0,1]=3 144 B7R0.4 COCCOC(C)=O SBB060999 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [1,1,0,0,0,0|0,0,2]=4 146 B7R0.4 NCCCCC(=O)O SBB061559 [1,1,0,0,0,0|0,0,1]=3 147 B7R0.4 O=C(O)CCCCBr SBB061343 [1,1,0,0,0,0|0,0,1]=3 148 B7R0.4 O=C(O)CCCCCl SBB061215 [1,1,0,0,0,0|0,0,1]=3 149 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,1,0,0,0,0|0,0,1]=3 150 B7R0.5 CC(NC=O)C(=O)O SBB047145 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,1,0,0,0,0|0,0,1]=3 152 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,1,0,0,0,0|0,0,1]=3 153 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,1,0,0,0,0|0,0,1]=3 154 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.5 NC(CCO)C(=O)O SBB065734 [1,1,0,0,0,0|0,0,2]=4 156 B7R0.5 NC(CCS)C(=O)O SBB065757 [1,1,0,0,0,0|0,1,1]=4 157 B7R0.5 NCCC(N)C(=O)O SBB053580 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.5 NCCC(N)C(=O)O SBB066000 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.5 NCCC(O)C(=O)O SBB066010 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [1,1,0,0,0,0|0,0,1]=3 162 B7R0.8 CNCCS(=O)(=O)O SBB072665 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,1,0,0,1,0|1,0,1]=4 164 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,1,0,0,1,0|1,0,1]=4 165 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,1,0,0,1,0|0,0,2]=4 166 B7R0.16 CC(=O)C(Cl)C(C)=O SBB058797 [0,1,0,0,1,0|1,0,0]=3 167 B7R0.16 CC(=O)N(C)C(C)=O SBB007865 [0,1,0,0,1,0|2,0,0]=4 168 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,1,0,0,1,0|2,0,0]=4 169 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,1,0,0,1,0|1,0,1]=4 170 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,1,0,0,1,0|1,0,1]=4 171 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,1,0,0,1,0|1,0,1]=4 172 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,1,0,0,1,0|0,0,2]=4 173 B9R0.1 COC(=O)CCCC(=O)Cl SBB067933 [0,1,0,0,0,1|1,0,0]=3 174 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [0,1,0,0,0,1|0,0,0]=2 175 B9R0.1 COC(=O)CCC[N+](=O)[O-] SBB013240 [0,1,0,0,0,1|1,0,1]=4 176 B9R0.7 CC(C)=NOC(C)C(=O)O SBB069128 [0,1,0,0,0,1|2,0,0]=4 177 B9R0.7 CN(C)C(=O)CCC(=O)O SBB008073 [0,1,0,0,0,1|2,0,0]=4 178 B9R0.7 C[S+](C)CCC(N)C(=O)O SBB067713 [0,1,0,0,0,1|2,0,0]=4 179 B9R0.7 NC(CCC(=O)O)C(=O)O SBB067835 [0,1,0,0,0,1|1,0,0]=3 180 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SBB006707 [0,1,0,0,0,1|1,0,0]=3 181 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SBB008782 [0,1,0,0,0,1|1,0,0]=3 182 B9R0.7 O=C(O)CCC(=O)C(=O)O SBB056419 [0,1,0,0,0,1|1,0,0]=3 183 B9R0.7 OC(=O)C(CCS(C)=O)N SBB012363 [0,1,0,0,0,1|1,0,0]=3 184 B9R0.7 OC(=O)C(CC[S+](C)C)N SBB017051 [0,1,0,0,0,1|2,0,0]=4 185 B9R0.7 OC(=O)[C@@H](CC[S+](C)C)N SBB017003 [0,1,0,0,0,1|2,0,0]=4 186 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SBB058732 [0,1,0,0,0,1|1,0,0]=3 187 B9R0.53 CC(CC(=O)O)CC(=O)O SBB069122 [0,1,0,0,0,1|1,0,0]=3 188 B9R0.53 CN(CC(=O)O)CC(=O)O SBB053605 [0,1,0,0,0,1|1,0,0]=3 189 B9R0.53 O=C(O)CC(=O)CC(=O)O SBB065807 [0,1,0,0,0,1|1,0,0]=3 190 B9R0.53 O=C(O)CS(=O)CC(=O)O SBB300904 [0,1,0,0,0,1|1,0,0]=3 191 B9R0.56 CC(C)(C)SCCC(=O)O SBB019266 [0,1,0,0,0,1|1,0,1]=4 192 B9R0.56 O=C(O)CNCP(=O)(O)O SBB067284 [0,1,0,0,0,1|2,0,0]=4 193 B9R0.23 COC(=O)C(=O)CC(C)=O SBB004133 [0,2,0,0,0,0|0,0,1]=3 194 B9R0.23 COC(=O)C(C)CN(C)C SBB047158 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.23 COC(=O)[C@@H](N)CC(C)C SBB302662 [0,2,0,0,0,0|1,0,1]=4 196 B9R0.23 O=C(O)CC(Br)C(=O)CBr SBB074340 [0,2,0,0,0,0|0,0,0]=2 197 B9R0.24 COC(=O)C#CC(=O)OC SBB065774 [0,2,0,0,0,0|0,0,2]=4 198 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [0,2,0,0,0,0|0,0,0]=2 199 B9R0.24 COC(=O)\C=C\C(=O)OC SBB008222 [0,2,0,0,0,0|0,0,2]=4 200 B9R0.24 NNC(=O)CCC(=O)NN SBB008164 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.42 COC(=O)C[C@H](N)C(=O)O SBB065788 [0,2,0,0,0,0|0,0,0]=2 202 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,2,0,0,0,0|1,0,0]=3 203 B9R0.48 CCNC(=O)\C=C/C(=O)O SBB028463 [0,2,0,0,0,0|0,0,2]=4 204 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,2,0,0,0,0|1,0,0]=3 205 B9R0.48 CCOC(=O)CNC(N)=O SBB086470 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [0,2,0,0,0,0|0,0,2]=4 207 B9R0.48 OC(=O)CSC(=S)OCC SBB058117 [0,2,0,0,0,0|1,1,0]=4 208 B9R0.11 CC(C)(CC(=O)O)C(=O)O SBB061664 [0,2,0,0,0,0|1,0,0]=3 209 B9R0.11 O=C(O)CC(F)(F)C(=O)O SBB086955 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.39 CC(=O)NC(CO)C(=O)O SBB028465 [0,2,0,0,0,0|1,0,0]=3 211 B9R0.39 CC(=O)NC(CS)C(=O)O SBB007593 [0,2,0,0,0,0|1,0,0]=3 212 B9R0.57 OC(=O)[C@@H](CS(=O)(=O)O)N SBB006733 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O SBB067433 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O SBB067067 [0,2,0,0,0,0|1,0,0]=3 215 B9R0.79 O=C(O)C(O)C(O)C(=O)O SBB060885 [0,2,0,0,0,0|1,0,0]=3 216 B9R0.79 O=C(O)C(O)C(O)C(=O)O SBB067123 [0,2,0,0,0,0|1,0,0]=3 217 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SBB065766 [0,2,0,0,0,0|1,0,0]=3 218 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O SBB065802 [0,2,0,0,0,0|1,0,0]=3 219 B7R1.2 O=C1C=C(O)CO1 SBB056227 [1,0,0,1,0,0|1,0,1]=4 220 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [1,0,0,1,0,0|0,0,2]=4 221 B7R1.2 O=C1CCC(=O)N1 SBB040866 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.2 O=C1CCC(=O)O1 SBB040819 [1,0,0,1,0,0|0,0,0]=2 223 B7R1.2 O=C1COC(=O)C1 SBB008561 [1,0,0,1,0,0|1,0,0]=3 224 B7R1.2 O=C1CSC(=O)N1 SBB000047 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|0,0,1]=3 228 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.10 O=C1CC(CO)C1 SBB054867 [1,0,0,1,0,0|0,0,1]=3 231 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [1,0,0,1,0,0|0,0,1]=3 232 B7R1.18 NC(=O)C1CCC1 SBB111823 [1,0,0,1,0,0|1,0,1]=4 233 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.18 O=C(O)C1CCC1 SBB053465 [1,0,0,1,0,0|0,0,1]=3 235 B7R1.18 O=C(O)C1CCN1 SBB053470 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.18 O=C(O)C1CNC1 SBB027353 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [1,0,0,1,0,0|1,0,1]=4 238 B7R1.20 O=C(O)CC1CC1 SBB005442 [1,0,0,1,0,0|0,0,1]=3 239 B9R1.35 CC1=NOC(C(=O)O)C1 SBB050121 [0,0,0,1,0,1|2,0,0]=4 240 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 SBB053161 [0,0,0,1,0,1|1,1,0]=4 241 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SBB004222 [0,0,0,1,0,1|0,0,2]=4 242 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SBB053386 [0,0,0,1,0,1|0,0,2]=4 243 B9R1.35 O=C1CC(C(=O)O)=NN1 SBB053199 [0,0,0,1,0,1|1,0,1]=4 244 B9R1.35 O=C1CCC(C(=O)O)C1 SBB069114 [0,0,0,1,0,1|0,0,0]=2 245 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SBB004232 [0,0,0,1,0,1|1,0,0]=3 246 B9R1.35 O=C1N[C@H](C(=O)O)CS1 SBB004097 [0,0,0,1,0,1|1,0,0]=3 247 B9R1.49 O=C1CCC(=O)COC1 SBB000058 [0,0,0,1,0,1|1,0,0]=3 248 B9R1.53 CC(=O)OC1CC(=O)N1 SBB056246 [0,0,0,1,0,1|1,0,0]=3 249 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.10 O=C1CCS(=O)(=O)CC1 SBB050980 [0,1,0,1,0,0|1,0,1]=4 251 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.112 N[C@@H](CC1CC1)C(=O)O SBB065934 [0,1,0,1,0,0|1,0,1]=4 253 B9R1.164 O=C(O)C1CC(F)(F)C1 SBB085508 [0,1,0,1,0,0|1,0,1]=4 254 B5R0.5 CC(Br)C(=O)O SBB060286 [0,0,0,0,2,0|1,0,1]=4 255 B5R0.5 CC(O)C(=O)O SBB065762 [0,0,0,0,2,0|0,0,2]=4 256 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,0,0,0,0,2|0,0,0]=2 257 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,0,0,0,0,2|1,0,0]=3 258 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,0,0,0,0,2|0,0,0]=2 259 B9R0.55 CC(=O)NCCNC(C)=O SBB007829 [0,0,0,0,0,2|1,0,0]=3 260 B9R0.55 CC(=O)OCCOC(C)=O SBB060701 [0,0,0,0,0,2|1,0,0]=3 261 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,0,0,0,0,2|1,0,1]=4 262 B9R0.55 NC(=O)CCCCC(N)=O SBB040916 [0,0,0,0,0,2|2,0,0]=4 263 B9R0.55 NC(=O)NCCCC(=O)O SBB027988 [0,0,0,0,0,2|1,0,0]=3 264 B9R0.55 O=C(Cl)CCCCC(=O)Cl SBB058892 [0,0,0,0,0,2|2,0,0]=4 265 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [0,0,0,0,0,2|1,0,0]=3