0 B7R0.5 CC(CCN)N(C)C SBB046536 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.5 CC(CCO)N(C)C SBB046554 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.5 CC(NC=O)C(=O)O SBB047145 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.5 CCCC(C)C(C)O SBB061491 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.1 C#CC(O)CCC SBB067434 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 CCCC(C)CO SBB061282 [1,0,0,0,0,0|0,0,1]=2 18 B6R0.1 CCCC(O)CC SBB061363 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 CCC\C(N)=N/O SBB028173 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 CCNC(C)CO SBB046531 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.1 CNC(C)CCO SBB046542 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 CNCC(C)OC SBB049894 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.3 CC(CN)C(=O)O SBB061656 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 CCC(=O)C(C)=O SBB061626 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.3 CCC(C)C(C)C SBB061452 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.3 CCC(N)C(N)=O SBB017505 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.3 CCN(C)C(=N)N SBB056493 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.3 NC(=O)C(N)CO SBB004161 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.3 NC(CO)C(=O)O SBB061655 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 NCC(N)C(=O)O SBB060844 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 O=C(O)C(=O)CBr SBB053571 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.3 O=C(O)C(=O)CBr SBB053584 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.3 O=C(O)C(Br)CBr SBB068302 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 O=C(O)C(O)CCl SBB072606 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 C#CCCC(=O)O SBB009121 [1,0,0,0,0,0|0,0,2]=3 44 B6R0.4 C=CCCC(=O)O SBB061214 [1,0,0,0,0,0|0,0,2]=3 45 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.4 CC(=O)NCCN SBB028176 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 CC(=O)NCCO SBB007954 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.4 CCC#CC(C)=O SBB009086 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.4 CCCCC(=O)O SBB053585 [1,0,0,0,0,0|0,0,0]=1 52 B6R0.4 CCCCC(C)=O SBB061262 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.4 CCCCC(N)=O SBB028169 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.4 CCCCN(C)C SBB060243 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.4 CCCNC(N)=O SBB028174 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.4 CCCOC(C)=O SBB060305 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.4 CCCOC(N)=O SBB000036 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 CCOCC(=O)O SBB069120 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.4 CCOCC(C)O SBB061006 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.4 CCSCC(=O)O SBB047288 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.4 CNCCC(N)=O SBB080375 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.4 NCCCC(=O)O SBB028179 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,0,0,0,0|1,0,0]=2 67 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.2 [NH3+][C@H](C(=O)[O-])[C@H](C)OC SBB069865 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.3 C#CC(O)C(C)CCC SBB009074 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.3 CCOC(C)C(=O)NN SBB080048 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.8 CC(=O)N(C)CCC#N SBB001628 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,1,0,0,0,0|0,0,0]=1 78 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,1,0,0,0,0|0,0,0]=1 82 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.12 C=CCC(C)(C)C(=O)O SBB053609 [0,1,0,0,0,0|0,0,2]=3 85 B8R0.12 C=CCC(F)(F)C(=O)O SBB085914 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.12 CCCC(C)(C)C(=O)O SBB007765 [0,1,0,0,0,0|0,0,0]=1 87 B8R0.15 CCOC(CC)C(N)=O SBB116764 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [0,1,0,0,0,0|0,0,1]=2 89 B8R0.23 CC(=O)NC(C)C(=O)O SBB000064 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,1,0,0,0,0|1,0,0]=2 94 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.23 CC(CC(=O)O)C(=O)O SBB061436 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.23 NC(=O)CC(N)C(=O)O SBB058664 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SBB058629 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.23 NC(CC(=O)O)C(=O)O SBB015070 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.23 O=C(O)CC(Cl)C(=O)O SBB065943 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.23 O=C(O)CC(S)C(=O)O SBB058850 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SBB063599 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.23 O=C(O)C[C@H](O)C(=O)O SBB058687 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.5 CC1=NCCCN1C SBB001664 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,1,0,0|1,0,0]=2 106 B8R1.5 CC1CCCCC1N SBB061724 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.5 CC1CCCCN1C SBB060747 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.5 CC1CCCNC1C SBB027556 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.5 CC1CNCCC1O SBB300760 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.5 CC1NCCNC1=O SBB080100 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.5 CC1SCCNC1=O SBB111924 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.5 NC1CCCNC1=O SBB012739 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.7 N=C(N)N1CCCC1 SBB056159 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.7 O=C(O)C1C=CCN1 SBB053088 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [0,0,0,1,0,0|0,0,2]=3 122 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,0,1,0,0|0,0,0]=1 123 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,0,0,1,0,0|1,0,0]=2 125 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,0,0,1,0,0|1,0,0]=2 127 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,1,0,0|1,0,0]=2 129 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,0,0,1,0,0|1,0,0]=2 130 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.23 C=C1CC(C(=O)O)C1 SBB053430 [0,0,0,1,0,0|0,0,2]=3 133 B8R1.23 O=C1CC(C(=O)O)C1 SBB053464 [0,0,0,1,0,0|1,0,1]=3 134 B8R1.78 NC1(C(=O)O)CCC1 SBB050243 [0,0,0,1,0,0|1,0,0]=2 135 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,0,0,0,0,1|0,0,0]=1 136 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,0,0,0,0,1|2,0,1]=4 137 B5R0.1 C#CCC(=O)O SBB116169 [2,0,0,0,0,0|0,0,2]=4 138 B5R0.1 CC(C)CCBr SBB061181 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.1 CC(C)CCO SBB060162 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 CCCC(=O)Cl SBB040624 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.1 CCOC(=O)Cl SBB040861 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.1 COCC(=O)O SBB061376 [2,0,0,0,0,0|1,0,0]=3 143 B5R0.1 CS(=O)CCN SBB050811 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 CSCC(=O)O SBB053570 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.1 O=C(O)CCBr SBB065770 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.1 O=C(O)CCCl SBB069140 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,1]=4 148 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,1]=4 149 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.2 OCCCCCl SBB002444 [2,0,0,0,0,0|1,0,1]=4 151 B5R0.3 CCC(C)CBr SBB007669 [2,0,0,0,0,0|1,0,1]=4 152 B5R0.5 CC(=O)C(C)Cl SBB060958 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.5 CC(Br)C(=O)O SBB060286 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.5 CC(C)C(=N)N SBB056456 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.5 CC(C)C(=O)Cl SBB060269 [2,0,0,0,0,0|1,0,0]=3 156 B5R0.5 CC(O)C(=O)O SBB065762 [2,0,0,0,0,0|1,0,0]=3 157 B5R0.5 CN(C)C(=O)Cl SBB040876 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.5 CN(C)C(=O)[O-] SBB059132 [2,0,0,0,0,0|1,0,1]=4 159 B7R0.2 CC(CO)CN(C)C SBB046544 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.3 C=CC(O)CCCC SBB008778 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.3 CC(CN)CCCN SBB058625 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.3 OC[C@H](CCSC)N SBB006701 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.7 CCNC(C)CCO SBB046562 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.11 C#CC(C)(O)CCC SBB002538 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.12 CCCC(CO)CO SBB059211 [1,1,0,0,0,0|0,0,1]=3 167 B7R0.13 CC(Br)(CBr)C(=O)O SBB069110 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.13 CC(C)(CO)C(=O)O SBB053589 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.13 CC(Cl)(CCl)C(=O)O SBB060998 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.13 CCC(C)(C)C(=O)O SBB065772 [1,1,0,0,0,0|0,0,0]=2 171 B7R0.15 CCC(CC)C(=O)O SBB061341 [1,1,0,0,0,0|0,0,0]=2 172 B7R0.15 CCC(OC)C(N)=O SBB116762 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.15 CCN(CC)C(=O)Cl SBB061734 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.15 CNC(CS)C(=O)O SBB053575 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.15 COC(OC)C(C)=O SBB060142 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.15 O=C(O)C(CBr)CBr SBB069082 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.4 C#CCCCC(=O)O SBB009090 [1,1,0,0,0,0|0,0,1]=3 185 B7R0.4 CCCC#CC(=O)O SBB009091 [1,1,0,0,0,0|0,0,1]=3 186 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.4 CCCCCC(=O)O SBB053586 [1,1,0,0,0,0|0,0,0]=2 188 B7R0.4 CCCCCC(C)=O SBB061125 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.4 CCCCCC(N)=O SBB061056 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.4 CCCCNC(N)=S SBB028242 [1,1,0,0,0,0|1,1,0]=4 191 B7R0.4 CCCCOC(N)=O SBB060819 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.4 CCCOCC(C)O SBB061007 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,1,0,0,0,0|0,0,1]=3 194 B7R0.4 CCOCCC(=O)O SBB053607 [1,1,0,0,0,0|0,0,0]=2 195 B7R0.4 COCCOC(C)=O SBB060999 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.4 NCCCCC(=O)O SBB061559 [1,1,0,0,0,0|0,0,0]=2 197 B7R0.4 O=C(O)CCCCBr SBB061343 [1,1,0,0,0,0|0,0,0]=2 198 B7R0.4 O=C(O)CCCCCl SBB061215 [1,1,0,0,0,0|0,0,0]=2 199 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,1,0,0,0,0|0,0,1]=3 200 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.6 CC(=O)CCC(=O)O SBB040561 [1,1,0,0,0,0|0,0,1]=3 202 B7R0.6 CC(=O)CCC(C)=O SBB040811 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.6 CC(=O)NCC(=O)O SBB036034 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.6 CC(C)CCC(=O)O SBB065829 [1,1,0,0,0,0|0,0,0]=2 205 B7R0.6 CC(C)CCC(C)O SBB061318 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.6 CC(C)CNC(N)=O SBB008242 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [1,1,0,0,0,0|0,0,2]=4 208 B7R0.6 O=C(O)CCC(=O)O SBB040562 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.8 CCCCS(=O)(=O)Cl SBB061680 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.8 CNCCS(=O)(=O)O SBB072665 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.8 NCCCP(=O)(O)O SBB004184 [1,1,0,0,0,0|2,0,0]=4 212 B9R0.4 COCCN(C)CC(=O)O SBB046598 [0,1,0,0,0,1|1,0,0]=3 213 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,1,0,0,0,1|1,0,0]=3 214 B9R0.53 CC(CC(=O)O)CC(=O)O SBB069122 [0,1,0,0,0,1|1,0,1]=4 215 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SBB010304 [0,2,0,0,0,0|1,0,0]=3 216 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O SBB067433 [0,2,0,0,0,0|1,0,1]=4 217 B9R0.8 COC(=O)C(N)CCCN SBB072642 [0,2,0,0,0,0|1,0,0]=3 218 B9R0.8 COC(=O)C(N)CCSC SBB003548 [0,2,0,0,0,0|1,0,0]=3 219 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [0,2,0,0,0,0|1,0,0]=3 220 B9R0.12 CCOC(CC)C(=O)NN SBB080165 [0,2,0,0,0,0|2,0,0]=4 221 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.7 CC(C)=NOC(C)C(=O)O SBB069128 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.7 C[S+](C)CCC(N)C(=O)O SBB067713 [0,2,0,0,0,0|1,0,0]=3 224 B9R0.7 NC(CCC(=O)O)C(=O)O SBB067835 [0,2,0,0,0,0|1,0,1]=4 225 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SBB006707 [0,2,0,0,0,0|1,0,1]=4 226 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SBB008782 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.7 OC(=O)C(CCS(C)=O)N SBB012363 [0,2,0,0,0,0|1,0,0]=3 228 B9R0.7 OC(=O)C(CC[S+](C)C)N SBB017051 [0,2,0,0,0,0|1,0,0]=3 229 B9R0.7 OC(=O)[C@@H](CC[S+](C)C)N SBB017003 [0,2,0,0,0,0|1,0,0]=3 230 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SBB058732 [0,2,0,0,0,0|1,0,1]=4 231 B9R0.13 CCCCC(CC)C(=O)Cl SBB058897 [0,2,0,0,0,0|1,0,0]=3 232 B9R0.13 CCCCC(CC)C(=O)O SBB060021 [0,2,0,0,0,0|0,0,0]=2 233 B9R0.13 CCCCC(CC)C(N)=O SBB061054 [0,2,0,0,0,0|1,0,0]=3 234 B9R0.42 COC(=O)C[C@H](N)C(=O)O SBB065788 [0,2,0,0,0,0|1,0,1]=4 235 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [0,2,0,0,0,0|1,0,0]=3 236 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [0,2,0,0,0,0|1,0,0]=3 237 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [0,2,0,0,0,0|1,0,0]=3 238 B9R0.11 CC(C)(CC(=O)O)C(=O)O SBB061664 [0,2,0,0,0,0|1,0,1]=4 239 B9R0.15 CCCC(CCC)C(=O)O SBB065764 [0,2,0,0,0,0|0,0,0]=2 240 B9R0.15 CCCC(CCC)C(N)=O SBB015062 [0,2,0,0,0,0|1,0,0]=3 241 B9R0.15 CCCN(CCC)C(C)=O SBB008474 [0,2,0,0,0,0|2,0,0]=4 242 B9R0.39 CC(=O)NC(CO)C(=O)O SBB028465 [0,2,0,0,0,0|1,0,1]=4 243 B9R0.39 CC(=O)NC(CS)C(=O)O SBB007593 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.57 CC(=O)C(C)NC(C)(C)C SBB002891 [0,2,0,0,0,0|2,0,0]=4 245 B9R0.57 CC(CC(F)(F)F)C(=O)O SBB051084 [0,2,0,0,0,0|1,0,0]=3 246 B9R0.57 OC(=O)C(CC(F)(F)F)N SBB017052 [0,2,0,0,0,0|2,0,0]=4 247 B7R1.1 BrCC1CCCC1 SBB054968 [1,0,0,1,0,0|1,0,1]=4 248 B7R1.1 N#CC1CCCC1 SBB008886 [1,0,0,1,0,0|1,0,1]=4 249 B7R1.1 NNC1CCCC1 SBB301621 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|0,0,0]=2 251 B7R1.1 O=CC1CCOC1 SBB052278 [1,0,0,1,0,0|1,0,0]=3 252 B7R1.1 OCC1CCCC1 SBB008516 [1,0,0,1,0,0|0,0,1]=3 253 B7R1.1 OCC1CCCO1 SBB058567 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.1 OCC1CCNC1 SBB046413 [1,0,0,1,0,0|1,0,1]=4 255 B7R1.1 OC[C@H]1CCCN1 SBB027252 [1,0,0,1,0,0|1,0,1]=4 256 B7R1.1 ON=C1CCCC1 SBB060393 [1,0,0,1,0,0|1,0,1]=4 257 B7R1.3 BrC1C=CCCC1 SBB007864 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|1,0,1]=4 259 B7R1.3 N1CCCC(C)C1 SBB027301 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.3 NC1CCCOC1 SBB012974 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.4 CN1CCCC1=O SBB060297 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.4 NC1CCOC1=O SBB004366 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.4 NC1CCOC1=O SBB057192 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.4 NC1CCSC1=O SBB004035 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.4 O=C1OCCC1Br SBB083094 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.4 OC1CCCC1Cl SBB060196 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [1,0,0,1,0,0|1,0,1]=4 269 B7R1.25 CC1(CO)COC1 SBB006512 [1,0,0,1,0,0|1,0,1]=4 270 B7R1.25 CC1(CO)COC1 SBB009078 [1,0,0,1,0,0|1,0,1]=4 271 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [1,0,0,1,0,0|0,0,0]=2 272 B7R1.18 NC(=O)C1CCC1 SBB111823 [1,0,0,1,0,0|1,0,0]=3 273 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [1,0,0,1,0,0|1,0,0]=3 274 B7R1.18 O=C(O)C1CCC1 SBB053465 [1,0,0,1,0,0|0,0,0]=2 275 B7R1.18 O=C(O)C1CCN1 SBB053470 [1,0,0,1,0,0|1,0,0]=3 276 B7R1.18 O=C(O)C1CNC1 SBB027353 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.19 CC1(C(=O)Cl)CC1 SBB053677 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.19 CC1(C(=O)O)CC1 SBB053429 [1,0,0,1,0,0|0,0,0]=2 280 B7R1.19 NC1(C(=O)O)CC1 SBB059531 [1,0,0,1,0,0|1,0,0]=3 281 B7R1.19 NC1(C(=O)O)CC1 SBB065741 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.7 CCCCC1CO1 SBB017137 [1,0,0,1,0,0|1,0,1]=4 283 B7R1.14 O=S1(=O)CCCC1 SBB057389 [1,0,0,1,0,0|1,0,1]=4 284 B7R1.20 O=C(O)CC1CC1 SBB005442 [1,0,0,1,0,0|0,0,0]=2 285 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,0,0,1,0,1|1,0,0]=3 286 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,0,0,1,0,1|1,0,0]=3 287 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,0,0,1,0,1|1,0,0]=3 288 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [0,0,0,1,0,1|1,0,0]=3 289 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,0,0,1,0,1|0,0,0]=2 290 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [0,0,0,1,0,1|1,0,0]=3 291 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,0,0,1,0,1|1,0,0]=3 292 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [0,0,0,1,0,1|1,0,0]=3 293 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,0,0,1,0,1|2,0,0]=4 294 B9R1.38 CC1CC(C)S(=O)(=O)C1 SBB058474 [0,0,0,1,0,1|1,0,1]=4 295 B9R1.41 CN1CCCC1C(=O)O SBB108828 [0,0,0,1,0,1|1,0,0]=3 296 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,1,0,1,0,0|1,0,0]=3 297 B9R1.3 CN1CCCN(C)C1=O SBB058374 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.37 CC1=C(O)C(=O)C(C)O1 SBB058632 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.5 CN1CCCCCC1=O SBB056535 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,1,0,1,0,0|0,0,0]=2 303 B9R1.11 COC(=O)C1CCCN1 SBB046302 [0,1,0,1,0,0|1,0,0]=3 304 B9R1.11 COC(=O)C1CCCN1 SBB054027 [0,1,0,1,0,0|1,0,0]=3 305 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [0,1,0,1,0,0|1,0,0]=3 306 B9R1.11 NNC(=O)C1CCCC1 SBB046301 [0,1,0,1,0,0|1,0,0]=3 307 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.15 CCC1CCCOC1=O SBB061552 [0,1,0,1,0,0|0,0,0]=2 309 B9R1.15 CCC1NCCNC1=O SBB010255 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.15 CN[C@H]1CCCC[C@@H]1O SBB302548 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.15 CN[C@H]1CCCC[C@H]1O SBB302547 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.15 COC1CCCNC1=O SBB056098 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.15 O=C1CCCCC1CO SBB054864 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.33 O=C1OCCN1CCO SBB007726 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.69 CC1CN(C)CCC1=O SBB001724 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.6 NC(=O)C1CC=CCC1 SBB056263 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [0,1,0,1,0,0|1,0,0]=3 324 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [0,1,0,1,0,0|1,0,0]=3 325 B9R1.6 NC(=O)C1CNCCN1 SBB056122 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.6 NC(=O)N1CCNCC1 SBB010258 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.6 NC(=O)N1CCNCC1 SBB087950 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.6 O=C(Cl)C1CC=CCC1 SBB053674 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.6 O=C(Cl)N1CCOCC1 SBB061723 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,1,0,1,0,0|0,0,0]=2 333 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,1,0,1,0,0|0,0,0]=2 334 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,1,0,1,0,0|0,0,0]=2 335 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,1,0,1,0,0|0,0,0]=2 336 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [0,1,0,1,0,0|0,0,0]=2 337 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [0,1,0,1,0,0|0,0,0]=2 338 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [0,1,0,1,0,0|0,0,0]=2 339 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [0,1,0,1,0,0|0,0,0]=2 340 B9R1.6 O=C(O)C1CCSCN1 SBB014841 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [0,1,0,1,0,0|1,0,0]=3 342 B9R1.6 O=C(O)C1CNCCS1 SBB053351 [0,1,0,1,0,0|1,0,0]=3 343 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [0,1,0,1,0,0|1,0,0]=3 344 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,1,0,1,0,0|0,0,0]=2 345 B9R1.6 OB(O)C1CCCCC1 SBB052596 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,1,0,1,0,0|0,0,1]=3 347 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [0,1,0,1,0,0|0,0,1]=3 348 B9R1.6 OC(=O)C1CNCCN1 SBB004226 [0,1,0,1,0,0|1,0,0]=3 349 B9R1.23 CN1CC(CO)CC1=O SBB054853 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.35 CC1=NOC(C(=O)O)C1 SBB050121 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SBB004222 [0,1,0,1,0,0|1,0,0]=3 352 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SBB053386 [0,1,0,1,0,0|1,0,0]=3 353 B9R1.35 O=C1CCC(C(=O)O)C1 SBB069114 [0,1,0,1,0,0|0,0,1]=3 354 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SBB004232 [0,1,0,1,0,0|1,0,1]=4 355 B9R1.40 CC1(C)NCCNC1=O SBB010254 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.112 N[C@@H](CC1CC1)C(=O)O SBB065934 [0,1,0,1,0,0|1,0,0]=3 357 B9R1.163 CC1(C(=O)O)CCCO1 SBB012745 [0,1,0,1,0,0|0,0,0]=2 358 B9R1.163 OC(=O)C1(N)CCCC1 SBB004230 [0,1,0,1,0,0|0,0,0]=2 359 B9R1.179 C=CCC1(C(=O)O)CC1 SBB053467 [0,1,0,1,0,0|0,0,2]=4 360 B9R1.19 O=S(=O)(Cl)C1CCCC1 SBB061213 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.164 O=C(O)C1CC(F)(F)C1 SBB085508 [0,1,0,1,0,0|1,0,0]=3 362 B9R1.169 CC1(C(=O)O)CC1(Cl)Cl SBB057761 [0,1,0,1,0,0|1,0,0]=3 363 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,2,0,0|1,0,0]=3