0 B7R0.2 CC(CCl)CC(=O)Cl SY027797 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.2 CCC(C)CC(=O)Cl SY265619 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.2 CCC(C)CC(C)N SY018617 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.2 CN(C=O)CC(=O)O SY224496 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.2 COC(=O)CC(=O)O SY046546 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.2 COC(=O)CC(=O)[O-] SY031346 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.2 COC(=O)CC(N)=O SY031703 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.2 O=C(Br)CC(=O)CBr SY287828 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.2 O=C([O-])CC(O)CO SY296011 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.2 O=C([O-])C[C@H](O)CO SY293279 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 C=CC[C@H](C)C=O SY018347 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCCC(C)CN SY271841 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 O=CC[C@H](O)CCl SY285776 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 OCCC(O)CO SY003295 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 OCC[C@H](O)CO SY274042 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.2 CC(=O)NC(C)C SY107538 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.2 CC(=O)OC(C)Br SY067153 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.2 CC(C)CB(O)O SY002441 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.2 CC(N)CC(=O)O SY022577 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.2 CN(C)CC(=O)O SY001194 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.2 CN(C)CC(=O)O SY005006 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.2 C[C@H](N)CC(=O)O SY022578 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.2 C[C@H](N)CC(=O)O SY025782 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.2 C[C@H](O)C[C@H](C)O SY066746 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.2 O=C(O)CC(=O)O SY001875 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 CC(=O)CCCO SY002852 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CC(=O)NCCN SY313725 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 CC(O)CCCO SY239899 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CCCCB(O)O SY012742 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.4 CCCCC(=N)N SY020380 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 CCCCC(=N)N SY020382 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.4 CCCOC(N)=O SY114484 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 CNCCC(=O)O SY005345 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.4 CNCCC(=O)O SY112486 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.4 COCCC(=N)N SY185487 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 COCCC(=O)O SY028921 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.4 N#CCCC(=O)O SY008516 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 NC(=O)NCCO SY038945 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 NCCCC(N)=O SY174709 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 O=C(O)C#CCO SY046324 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.4 O=C(O)CCCBr SY001501 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.4 O=C(O)\C=C\CBr SY028405 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 O=C(O)\C=C\CO SY032954 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.4 O=CNCC(=O)O SY052094 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.4 O=[N+]([O-])CCCBr SY266570 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.4 O=[N+]([O-])CCCCl SY266515 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 O=[N+]([O-])CCCO SY211657 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.2 CCC(C)C(N)C(=O)O SY022340 [0,1,0,0,0,0|0,0,0]=1 52 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O SY022277 [0,1,0,0,0,0|0,0,0]=1 53 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O SY022276 [0,1,0,0,0,0|0,0,0]=1 54 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O SY022275 [0,1,0,0,0,0|0,0,0]=1 55 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O SY275536 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O SY017751 [0,1,0,0,0,0|0,0,0]=1 57 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O SY036248 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O SY075986 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O SY075565 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO SY030313 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO SY211984 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.5 CCCC(C)OC(=O)Cl SY285574 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.5 CCOC(=O)CC(=O)O SY003789 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.5 CCOC(=O)CC(=O)[O-] SY004359 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.5 CCOC(=O)CC(N)=O SY015543 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.16 COC(CC(C)O)OC SY029601 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.19 CCC(=O)CC(=O)OC SY007180 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.19 COC(=O)C[C@H](O)CO SY018663 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.23 CC(=O)CC(=O)C(C)C SY021087 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.23 CC(=O)N(C)CC(=O)O SY168740 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.23 CC(C)C(N)CC(=O)O SY016724 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.23 CC(C)[C@@H](N)CC(=O)O SY064256 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.23 CC(C)[C@H](N)CC(=O)O SY077258 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.23 CC(CC(=O)O)C(=O)O SY036933 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SY104041 [0,1,0,0,0,0|1,0,1]=3 76 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O SY254067 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.23 N[C@H](CC(=O)O)C(=O)O SY009812 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SY009804 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.23 O=C(O)C[C@H](F)C(=O)O SY247078 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.23 O=C(O)C[C@H](O)C(=O)O SY003313 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.34 CCS(=O)(=O)CC(=O)O SY028838 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.1 CCC1CCC(=O)O1 SY015382 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.1 CCN1CCC(O)C1 SY036930 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.1 N#CC1CCC(=O)C1 SY038122 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.1 NCC1CCC(=O)N1 SY006694 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.1 NCC1COC(=O)N1 SY040257 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.1 NC[C@@H]1CCC(=O)N1 SY045358 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.1 NC[C@@H]1CCC(=O)N1 SY215400 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 SY252911 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.1 NC[C@@H]1CC[C@H](O)C1 SY252910 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.1 NC[C@H]1CCC(=O)N1 SY024297 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.1 O=C1C=C(CBr)CO1 SY003604 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.1 O=C1CC(CBr)CN1 SY205276 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.1 O=C1CC(CO)CN1 SY008749 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.1 O=C1CCC(CBr)O1 SY250804 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.1 O=C1CCC(CO)N1 SY059670 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.1 O=C1CC[C@@H](CBr)N1 SY033743 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.1 O=C1CC[C@@H](CO)N1 SY004165 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.1 O=C1CC[C@@H](CO)O1 SY010497 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.1 O=C1CC[C@H](CBr)N1 SY066920 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.1 O=C1CC[C@H](CO)N1 SY004164 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.1 O=C1NC(CO)CO1 SY038213 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.1 O=C1NCC(CO)O1 SY005286 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.1 O=C1N[C@@H](CO)CO1 SY284529 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.1 O=C1N[C@H](CO)CO1 SY251331 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.1 O=C1OCC(CO)O1 SY037075 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.4 CC1=CC(=O)CCC1 SY011435 [0,0,0,1,0,0|1,0,2]=4 108 B8R1.4 CC1CC(O)CCO1 SY023229 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.4 CC1CCCC(=O)N1 SY033090 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.4 CC1CCCC(=O)O1 SY048899 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.4 CC1CCNC(=O)C1 SY033089 [0,0,0,1,0,0|1,0,0]=2 112 B8R1.4 CC1CNCC(O)C1 SY208218 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.4 CN1CCCC(=O)C1 SY023480 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.4 CN1CCCC(O)C1 SY224914 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.4 C[C@@H]1CNCC(=O)N1 SY259669 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [0,0,0,1,0,0|1,0,0]=2 119 B8R1.4 NC1CCCC(O)C1 SY027772 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.4 NC1CCNC(=O)C1 SY098707 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.4 O=C1CC(O)CCN1 SY029027 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.4 O=C1CCCC(=O)C1 SY004453 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.4 O=C1CCNC(=O)C1 SY004226 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.4 O=C1C[C@H](O)CCN1 SY238615 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.18 CC1=C(C)OC(=O)O1 SY021193 [0,0,0,1,0,0|1,0,2]=4 126 B8R1.18 CC1=CC(=O)OC1O SY104829 [0,0,0,1,0,0|1,0,2]=4 127 B8R1.18 CC1CC(=O)OC1=O SY113513 [0,0,0,1,0,0|1,0,1]=3 128 B8R1.18 CC1CC(=O)OC1C SY262129 [0,0,0,1,0,0|0,0,0]=1 129 B8R1.18 C[C@H]1NC(=O)OC1=O SY103956 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.34 O=C(O)C=C1CCC1 SY042126 [0,0,0,1,0,0|0,0,2]=3 131 B8R1.34 O=C(O)CC1CCC1 SY011888 [0,0,0,1,0,0|0,0,0]=1 132 B8R1.34 O=C(O)CC1COC1 SY025445 [0,0,0,1,0,0|1,0,0]=2 133 B8R1.42 CC1(CC(=O)O)CC1 SY159474 [0,0,0,1,0,0|0,0,0]=1 134 B8R1.51 CC1(O)CCC(N)C1 SY268988 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.51 CC1COS(=O)(=O)C1 SY264357 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.51 C[C@@]1(O)CC[C@H](N)C1 SY284838 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.51 NC1CCS(=O)(=O)C1 SY031825 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.51 N[C@H]1CCS(=O)(=O)C1 SY278585 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.51 O=S1(=O)CCC(O)C1 SY122163 [0,0,0,1,0,0|2,0,1]=4 140 B6R0.3 CCC(=O)C(=O)O SY011034 [0,0,0,0,1,0|1,0,1]=3 141 B6R0.3 CCC(Br)C(N)=O SY031102 [0,0,0,0,1,0|2,0,0]=3 142 B6R0.3 CCC(C)B(O)O SY030879 [0,0,0,0,1,0|1,0,1]=3 143 B6R0.3 CCC(N)C(=O)O SY005223 [0,0,0,0,1,0|1,0,0]=2 144 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [0,0,0,0,1,0|1,0,0]=2 145 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [0,0,0,0,1,0|0,0,0]=1 146 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [0,0,0,0,1,0|1,0,0]=2 147 B6R0.3 CC[C@@H](N)C(N)=O SY108293 [0,0,0,0,1,0|2,0,0]=3 148 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [0,0,0,0,1,0|1,0,0]=2 149 B6R0.3 CC[C@H](N)C(=O)O SY002291 [0,0,0,0,1,0|1,0,0]=2 150 B6R0.3 CC[C@H](N)C(N)=O SY020529 [0,0,0,0,1,0|2,0,0]=3 151 B6R0.3 CC[C@H](O)C(=O)O SY066872 [0,0,0,0,1,0|1,0,0]=2 152 B6R0.3 CNC(C)C(=O)O SY006014 [0,0,0,0,1,0|1,0,0]=2 153 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [0,0,0,0,1,0|1,0,0]=2 154 B6R0.3 CN[C@H](C)C(=O)O SY024216 [0,0,0,0,1,0|1,0,0]=2 155 B6R0.3 COC(C)C(=O)O SY034306 [0,0,0,0,1,0|1,0,0]=2 156 B6R0.3 CON(C)C(C)=O SY004033 [0,0,0,0,1,0|3,0,0]=4 157 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [0,0,0,0,1,0|1,0,0]=2 158 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [0,0,0,0,1,0|1,0,0]=2 159 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [0,0,0,0,1,0|1,0,0]=2 160 B6R0.3 C[C@@H](ON)C(=O)O SY286465 [0,0,0,0,1,0|2,0,0]=3 161 B6R0.3 C[C@H](CN)C(=O)O SY020274 [0,0,0,0,1,0|1,0,0]=2 162 B6R0.3 C[C@H](CN)C(=O)O SY105716 [0,0,0,0,1,0|1,0,0]=2 163 B6R0.3 C[C@H](ON)C(=O)O SY286489 [0,0,0,0,1,0|2,0,0]=3 164 B6R0.3 C\C=C(\C)C(=O)O SY053021 [0,0,0,0,1,0|0,0,2]=3 165 B6R0.3 NC(=O)[C@@H](N)CO SY034139 [0,0,0,0,1,0|3,0,0]=4 166 B6R0.3 NC(CO)C(=O)O SY003812 [0,0,0,0,1,0|2,0,0]=3 167 B6R0.3 NC(CS)C(=O)O SY009625 [0,0,0,0,1,0|2,0,0]=3 168 B6R0.3 NCC(Br)C(=O)O SY297906 [0,0,0,0,1,0|2,0,0]=3 169 B6R0.3 NCC(N)C(=O)O SY017516 [0,0,0,0,1,0|2,0,0]=3 170 B6R0.3 NCC(O)C(=O)O SY007745 [0,0,0,0,1,0|2,0,0]=3 171 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [0,0,0,0,1,0|2,0,0]=3 172 B6R0.3 NC[C@H](N)C(=O)O SY017515 [0,0,0,0,1,0|2,0,0]=3 173 B6R0.3 NC[C@H](O)C(=O)O SY013665 [0,0,0,0,1,0|2,0,0]=3 174 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [0,0,0,0,1,0|2,0,0]=3 175 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [0,0,0,0,1,0|2,0,0]=3 176 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [0,0,0,0,1,0|2,0,0]=3 177 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [0,0,0,0,1,0|2,0,0]=3 178 B6R0.3 N[C@H](CO)C(=O)O SY005114 [0,0,0,0,1,0|2,0,0]=3 179 B6R0.3 N[C@H](CS)C(=O)O SY033289 [0,0,0,0,1,0|2,0,0]=3 180 B6R0.3 N[C@H](CS)C(=O)O SY033653 [0,0,0,0,1,0|2,0,0]=3 181 B6R0.3 O=C(O)C(Br)CO SY261671 [0,0,0,0,1,0|2,0,0]=3 182 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [0,0,0,0,1,0|2,0,0]=3 183 B8R0.9 C=C[C@@H](N)CCC(=O)O SY263247 [0,0,0,0,0,1|1,0,2]=4 184 B8R0.9 CCC(=O)CCC(=O)O SY270773 [0,0,0,0,0,1|1,0,1]=3 185 B8R0.9 CCC(C)COC(=O)Cl SY036985 [0,0,0,0,0,1|1,0,0]=2 186 B8R0.9 CCC(Cl)CCC(=O)Cl SY027792 [0,0,0,0,0,1|2,0,0]=3 187 B8R0.9 COC(=O)CCC(=O)O SY009523 [0,0,0,0,0,1|2,0,1]=4 188 B8R0.9 COC(=O)NCC(=O)O SY032049 [0,0,0,0,0,1|2,0,1]=4 189 B8R0.9 NCC(=O)CCC(=O)O SY017972 [0,0,0,0,0,1|2,0,1]=4 190 B8R0.9 NCC(=O)NCC(=O)O SY018005 [0,0,0,0,0,1|2,0,1]=4 191 B5R0.1 C#CCC(=O)O SY040154 [2,0,0,0,0,0|0,0,2]=4 192 B5R0.1 CC(=O)CCN SY263173 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.1 CC(=O)CCO SY002849 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.1 CC(C)CON SY013358 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 CC(N)CCO SY030187 [2,0,0,0,0,0|1,0,1]=4 196 B5R0.1 CCCB(O)O SY030878 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.1 CCC[C@@H](C)O SY045083 [2,0,0,0,0,0|1,0,1]=4 198 B5R0.1 CCNC(C)=O SY016499 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.1 CN(C)CC=O SY114927 [2,0,0,0,0,0|1,0,0]=3 200 B5R0.1 CNCC(=O)O SY001630 [2,0,0,0,0,0|1,0,0]=3 201 B5R0.1 CNCC(N)=O SY059741 [2,0,0,0,0,0|2,0,0]=4 202 B5R0.1 CSCC(N)=O SY040648 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.1 C[C@@H](O)CCO SY049450 [2,0,0,0,0,0|1,0,1]=4 204 B5R0.1 C[C@H](N)CCO SY022986 [2,0,0,0,0,0|1,0,1]=4 205 B5R0.1 NC(=O)CCBr SY014886 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.1 NCCC(N)=O SY024863 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.1 NCCC(N)=O SY101590 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.1 O=C(O)CCF SY008508 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.1 O=C(O)CCO SY003982 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.2 C=CCCCCl SY115227 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.2 C=CCCCN SY039810 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.2 CCC#CC=O SY301692 [2,0,0,0,0,0|0,0,2]=4 213 B5R0.2 CCCCNN SY048097 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.2 CCCCON SY013356 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.2 CCCCON SY019069 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.2 N#CCCC=O SY273827 [2,0,0,0,0,0|1,0,1]=4 217 B5R0.2 NCCCCO SY001196 [2,0,0,0,0,0|1,0,1]=4 218 B5R0.3 CC(CBr)CBr SY038831 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.3 CC(CI)CI SY248411 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.3 CCC(Br)CC SY050135 [2,0,0,0,0,0|1,0,1]=4 221 B5R0.3 CC[C@@H](N)CO SY049464 [2,0,0,0,0,0|1,0,0]=3 222 B5R0.3 CC[C@H](N)CF SY045883 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.3 CNC(C)CO SY082195 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.3 COC(C)CBr SY298794 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.3 CO[C@@H](C)CN SY114788 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.3 NCC(F)CO SY260924 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.3 NC[C@@H](O)CO SY008127 [2,0,0,0,0,0|2,0,0]=4 228 B7R0.3 C[C@@H](CN)CCCO SY267124 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.3 C[C@@H](CN)CCCO SY267125 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.5 CC(C)C(N)CCO SY015880 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.7 CCC[C@H](N)CCO SY117417 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.7 OCCC(O)CCO SY284695 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.10 CC[C@H](C)[C@H](N)CF SY045877 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.10 CC[C@H](C)[C@H](N)CO SY014111 [1,1,0,0,0,0|0,0,1]=3 235 B7R0.9 CC(=O)CC(C)(C)N SY009235 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.9 CC(C)(C)CB(O)O SY066938 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.9 CC(C)(C)OC(N)=O SY009584 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.9 CC(C)(N)CC(=O)O SY013584 [1,1,0,0,0,0|0,0,0]=2 239 B7R0.9 CC(C)(N)CC(=O)O SY013645 [1,1,0,0,0,0|0,0,0]=2 240 B7R0.9 CC(C)(O)CC(=O)O SY032937 [1,1,0,0,0,0|0,0,0]=2 241 B7R0.9 CC(C)CS(N)(=O)=O SY182818 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.9 CS(=O)(=O)CC(=O)O SY003200 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.16 CC(C)C(=O)C(=O)O SY005235 [1,1,0,0,0,0|0,0,1]=3 244 B7R0.16 CC(C)C(N)C(N)=O SY047906 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.16 CC(C)[C@@H](Br)C(=O)O SY033749 [1,1,0,0,0,0|0,0,0]=2 246 B7R0.16 CC(C)[C@@H](N)C(=O)O SY002593 [1,1,0,0,0,0|0,0,0]=2 247 B7R0.16 CC(C)[C@@H](N)C(N)=O SY024218 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.16 CC(C)[C@@H](O)C(=O)O SY041974 [1,1,0,0,0,0|0,0,0]=2 249 B7R0.16 CC(C)[C@H](N)C(=O)O SY002589 [1,1,0,0,0,0|0,0,0]=2 250 B7R0.16 CC(C)[C@H](N)C(N)=O SY024217 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.16 CN(C)C(=O)C(=O)O SY050473 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SY026984 [1,1,0,0,0,0|1,0,0]=3 253 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SY020053 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SY034086 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SY018620 [1,1,0,0,0,0|1,0,0]=3 256 B7R0.16 C[C@H](O)[C@H](N)C(=O)O SY024226 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.4 C#CCCCC(=O)O SY026710 [1,1,0,0,0,0|0,0,1]=3 258 B7R0.4 C=CCCCC(=O)O SY050075 [1,1,0,0,0,0|0,0,1]=3 259 B7R0.4 CC(=O)OCCCCl SY106444 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.4 CCCCCC(N)=O SY051726 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.4 CCCCC[N+](=O)[O-] SY266558 [1,1,0,0,0,0|1,0,1]=4 262 B7R0.4 CCCOCC(=O)O SY025048 [1,1,0,0,0,0|0,0,0]=2 263 B7R0.4 CCOC=CC(=O)O SY030136 [1,1,0,0,0,0|0,0,2]=4 264 B7R0.4 CNCCCC(=O)O SY032531 [1,1,0,0,0,0|0,0,0]=2 265 B7R0.4 COCCCC(=O)O SY045907 [1,1,0,0,0,0|0,0,0]=2 266 B7R0.4 COCCC[N+](=O)[O-] SY266522 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.4 N#CCCCC(=O)O SY008532 [1,1,0,0,0,0|0,0,1]=3 268 B7R0.4 NC(=O)CCCCBr SY253590 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.4 NC(=O)CCCCCl SY184285 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.4 NC(=O)COCCCl SY007262 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.4 NCCCCC(=O)O SY002964 [1,1,0,0,0,0|0,0,0]=2 272 B7R0.4 NCCCCC(N)=O SY247757 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.4 O=C(Cl)CCCCF SY270893 [1,1,0,0,0,0|1,0,0]=3 274 B7R0.4 O=C(O)CCCCCl SY051600 [1,1,0,0,0,0|0,0,0]=2 275 B7R0.4 O=C(O)CCCCS SY141369 [1,1,0,0,0,0|0,0,0]=2 276 B7R0.4 O=C(O)COCCCl SY030518 [1,1,0,0,0,0|1,0,0]=3 277 B7R0.4 O=C([O-])CCCCO SY019284 [1,1,0,0,0,0|0,0,1]=3 278 B7R0.4 O=[N+]([O-])CCCCBr SY266567 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.4 O=[N+]([O-])CCCCCl SY266516 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.4 O=[N+]([O-])CCCCO SY235738 [1,1,0,0,0,0|1,0,1]=4 281 B7R0.4 [N-]=[N+]=NCCC(=O)O SY142459 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.6 CC(=O)CCC(N)=O SY273013 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.6 CC(=O)NCC(=O)O SY013515 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.6 CC(=O)OCC(C)O SY272306 [1,1,0,0,0,0|2,0,0]=4 285 B7R0.6 CC(C)CCB(O)O SY024043 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.6 CC(C)CCC(=O)O SY001693 [1,1,0,0,0,0|0,0,0]=2 287 B7R0.6 CC(C)CC[N+](=O)[O-] SY224455 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.6 CC(Cl)CCC(=O)Cl SY027798 [1,1,0,0,0,0|1,0,0]=3 289 B7R0.6 CC(O)CCC(=O)[O-] SY159293 [1,1,0,0,0,0|0,0,1]=3 290 B7R0.6 CN(C)CCC(=O)O SY031864 [1,1,0,0,0,0|1,0,0]=3 291 B7R0.6 C[C@@H](N)CCC(=O)O SY297613 [1,1,0,0,0,0|0,0,0]=2 292 B7R0.6 C[C@H](N)CCC(=O)O SY297612 [1,1,0,0,0,0|0,0,0]=2 293 B7R0.6 O=C(O)CSC(F)F SY172606 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.8 CCCCC(C)(C)O SY051607 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.8 CCCCS(=O)(=O)[O-] SY017855 [1,1,0,0,0,0|1,0,1]=4 296 B7R0.8 NCCCS(=O)(=O)O SY006704 [1,1,0,0,0,0|2,0,0]=4 297 B7R0.13 C=CC(C)(C)C(=O)O SY056888 [0,1,0,0,1,0|0,0,2]=4 298 B7R0.13 CC(=O)C(C)(C)CO SY143436 [0,1,0,0,1,0|2,0,0]=4 299 B7R0.13 CC(C)(C#N)C(=O)O SY042840 [0,1,0,0,1,0|1,0,1]=4 300 B7R0.13 CC(C)(CBr)C(=O)O SY139625 [0,1,0,0,1,0|1,0,0]=3 301 B7R0.13 CC(C)(CCl)C(=O)O SY051586 [0,1,0,0,1,0|1,0,0]=3 302 B7R0.13 CC(C)(CN)C(=O)O SY022797 [0,1,0,0,1,0|1,0,0]=3 303 B7R0.13 CC(C)(CN)C(N)=O SY021307 [0,1,0,0,1,0|2,0,0]=4 304 B7R0.13 CC(C)(CO)C(=O)O SY017233 [0,1,0,0,1,0|1,0,0]=3 305 B7R0.13 CC(N)(CO)C(=O)O SY047210 [0,1,0,0,1,0|1,0,0]=3 306 B7R0.13 CCC(C)(O)C(=O)O SY051605 [0,1,0,0,1,0|0,0,0]=2 307 B7R0.13 CC[C@@](C)(N)C(=O)O SY074815 [0,1,0,0,1,0|0,0,0]=2 308 B7R0.13 COC(C)(C)C(=O)O SY013214 [0,1,0,0,1,0|1,0,0]=3 309 B7R0.13 C[C@@](N)(CO)C(=O)O SY047311 [0,1,0,0,1,0|1,0,0]=3 310 B7R0.13 C[C@](N)(CO)C(=O)O SY047312 [0,1,0,0,1,0|1,0,0]=3 311 B7R0.13 NCC(F)(F)C(=O)O SY014725 [0,1,0,0,1,0|2,0,0]=4 312 B7R0.13 NCC(F)(F)C(=O)O SY029532 [0,1,0,0,1,0|2,0,0]=4 313 B7R0.15 CCC(CC)C(N)=O SY096552 [0,1,0,0,1,0|1,0,0]=3 314 B7R0.15 CCC(OC)C(=O)O SY057653 [0,1,0,0,1,0|0,0,0]=2 315 B7R0.15 CCN(CC)C(C)=O SY037752 [0,1,0,0,1,0|2,0,0]=4 316 B7R0.15 CN[C@@H](CS)C(=O)O SY237929 [0,1,0,0,1,0|1,0,0]=3 317 B9R0.7 CC(Cl)C(=O)NCC(=O)O SY129805 [0,1,0,0,0,1|1,0,1]=4 318 B9R0.7 C[C@H](S)C(=O)NCC(=O)O SY262996 [0,1,0,0,0,1|1,0,1]=4 319 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O SY074228 [0,1,0,0,0,1|0,0,0]=2 320 B9R0.24 CCC(=O)CCC(=O)OC SY270772 [0,1,0,0,0,1|1,0,1]=4 321 B9R0.43 COC(CNC(C)=O)OC SY226343 [0,1,0,0,0,1|2,0,0]=4 322 B9R0.48 CCCC(Cl)CCC(=O)Cl SY027789 [0,1,0,0,0,1|2,0,0]=4 323 B9R0.48 CCOC(=O)CCC(=O)O SY058510 [0,1,0,0,0,1|1,0,1]=4 324 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SY024621 [0,2,0,0,0,0|0,0,0]=2 325 B9R0.27 COC(=O)C(Br)C(C)OC SY290708 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O SY240703 [0,2,0,0,0,0|0,0,0]=2 327 B9R0.32 CC(C)(CN)C(O)C(=O)O SY265764 [0,2,0,0,0,0|1,0,0]=3 328 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O SY104814 [0,2,0,0,0,0|1,0,0]=3 329 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SY254571 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.4 CCCCC(C)OC(=O)Cl SY250032 [0,2,0,0,0,0|2,0,0]=4 331 B9R0.4 CCCCC(N)CC(=O)O SY013375 [0,2,0,0,0,0|1,0,0]=3 332 B9R0.4 CCCC[C@H](C)CC(=O)O SY253397 [0,2,0,0,0,0|0,0,0]=2 333 B9R0.4 CSCC[C@@H](N)CC(=O)O SY254064 [0,2,0,0,0,0|1,0,0]=3 334 B9R0.14 CCCC(CC)OC(=O)Cl SY250031 [0,2,0,0,0,0|2,0,0]=4 335 B9R0.34 CCCC(=O)CC(=O)OC SY017840 [0,2,0,0,0,0|1,0,1]=4 336 B9R0.34 CCOC(=O)CC(=O)CC SY008856 [0,2,0,0,0,0|1,0,1]=4 337 B9R0.34 CCOC(=O)CC(C)NC SY083221 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.34 CCOC(=O)C[C@H](O)CCl SY018986 [0,2,0,0,0,0|2,0,0]=4 339 B9R0.34 COCC(=O)CC(=O)OC SY009587 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY065306 [0,2,0,0,0,0|1,0,0]=3 341 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY254213 [0,2,0,0,0,0|1,0,0]=3 342 B9R0.53 CC(CC(=O)O)CC(=O)O SY049418 [0,2,0,0,0,0|0,0,1]=3 343 B9R0.53 CN(CC(=O)O)CC(=O)O SY011911 [0,2,0,0,0,0|1,0,1]=4 344 B9R0.53 NC(CC(=O)O)CC(=O)O SY239462 [0,2,0,0,0,0|1,0,1]=4 345 B9R0.53 NC(CC(=O)O)CC(=O)O SY239922 [0,2,0,0,0,0|1,0,1]=4 346 B9R0.53 O=C(O)CC(O)CC(=O)O SY122582 [0,2,0,0,0,0|1,0,1]=4 347 B9R0.26 COC(=O)CC(OC)OC SY031322 [0,2,0,0,0,0|1,0,0]=3 348 B9R0.39 CN[C@H](CC(=O)O)C(=O)O SY035118 [0,2,0,0,0,0|1,0,1]=4 349 B9R0.22 CCS(=O)(=O)CC(=O)OC SY224193 [0,2,0,0,0,0|2,0,0]=4 350 B9R0.10 CN(CC(=O)O)S(C)(=O)=O SY015012 [0,2,0,0,0,0|2,0,0]=4 351 B9R0.10 O=C(O)CC(O)C(F)(F)F SY016101 [0,2,0,0,0,0|2,0,0]=4 352 B9R0.10 O=C(O)C[C@@H](O)C(F)(F)F SY014726 [0,2,0,0,0,0|2,0,0]=4 353 B9R0.10 O=C(O)C[C@H](O)C(F)(F)F SY270521 [0,2,0,0,0,0|2,0,0]=4 354 B9R0.11 CC(C)(CC(=O)O)C(=O)O SY004631 [0,2,0,0,0,0|1,0,1]=4 355 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O SY271892 [0,2,0,0,0,0|1,0,1]=4 356 B7R1.1 BrCC1CCOC1 SY042030 [1,0,0,1,0,0|1,0,1]=4 357 B7R1.1 CNC1CCOC1 SY048009 [1,0,0,1,0,0|1,0,1]=4 358 B7R1.1 CN[C@@H]1CCOC1 SY268189 [1,0,0,1,0,0|1,0,1]=4 359 B7R1.1 NCC1CCOC1 SY042027 [1,0,0,1,0,0|1,0,1]=4 360 B7R1.1 OCC1CC=CC1 SY019811 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.1 OCC1CCOC1 SY030918 [1,0,0,1,0,0|1,0,1]=4 362 B7R1.2 CC1CCC(=O)C1 SY003033 [1,0,0,1,0,0|0,0,0]=2 363 B7R1.2 CC1CCC(=O)O1 SY011304 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.2 CC1CCC(N)C1 SY156765 [1,0,0,1,0,0|1,0,1]=4 365 B7R1.2 CC1CNC(=O)C1 SY065050 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.2 CC1COC(=O)N1 SY037847 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.2 CN1CCC(O)C1 SY005849 [1,0,0,1,0,0|1,0,1]=4 368 B7R1.2 CN1CC[C@@H](O)C1 SY031540 [1,0,0,1,0,0|1,0,1]=4 369 B7R1.2 CN1CC[C@H](O)C1 SY003953 [1,0,0,1,0,0|1,0,1]=4 370 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.2 C[C@@H]1C[C@H](O)CN1 SY038467 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.2 C[C@H]1C[C@@H](O)CN1 SY099690 [1,0,0,1,0,0|1,0,1]=4 376 B7R1.2 NC1CCC(O)C1 SY097023 [1,0,0,1,0,0|1,0,1]=4 377 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SY021340 [1,0,0,1,0,0|1,0,1]=4 378 B7R1.2 N[C@@H]1CC[C@H](O)C1 SY045306 [1,0,0,1,0,0|1,0,1]=4 379 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.2 N[C@H]1CC[C@@H](O)C1 SY198445 [1,0,0,1,0,0|1,0,1]=4 381 B7R1.2 N[C@H]1CC[C@H](O)C1 SY021301 [1,0,0,1,0,0|1,0,1]=4 382 B7R1.2 N[C@H]1CC[C@H](O)C1 SY259001 [1,0,0,1,0,0|1,0,1]=4 383 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.2 O=C1CC(O)CN1 SY031844 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.2 O=C1CCC(=O)C1 SY003377 [1,0,0,1,0,0|1,0,1]=4 386 B7R1.2 O=C1CCC(O)C1 SY040217 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [1,0,0,1,0,0|2,0,0]=4 388 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.3 BrC1CCOCC1 SY002700 [1,0,0,1,0,0|1,0,1]=4 392 B7R1.3 CN1CCOCC1 SY262844 [1,0,0,1,0,0|1,0,1]=4 393 B7R1.3 C[C@@H]1CCCNC1 SY069171 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.3 C[C@H]1CCCNC1 SY115150 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.3 C[C@H]1CCCNC1 SY273114 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.3 ClC1CCOCC1 SY051140 [1,0,0,1,0,0|1,0,1]=4 397 B7R1.3 IC1CCOCC1 SY004489 [1,0,0,1,0,0|1,0,1]=4 398 B7R1.3 NC1CCOCC1 SY013112 [1,0,0,1,0,0|1,0,1]=4 399 B7R1.3 OC1CC=CCC1 SY264800 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.3 OC1CCOCC1 SY002687 [1,0,0,1,0,0|1,0,1]=4 401 B7R1.6 NOCC1CCC1 SY216380 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.6 NOCC1CCC1 SY281574 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.6 O=CCC1CCC1 SY025254 [1,0,0,1,0,0|0,0,0]=2 404 B7R1.6 OCCC1CCO1 SY099736 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.6 OCCC1COC1 SY097532 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.9 COC1CC1C=O SY277013 [1,0,0,1,0,0|1,0,0]=3 407 B7R1.10 CCC1CC(=O)C1 SY200344 [1,0,0,1,0,0|0,0,0]=2 408 B7R1.10 CCN1CC(O)C1 SY017236 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.10 CCN1CC(O)C1 SY025661 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.10 COC1CC(=O)C1 SY098914 [1,0,0,1,0,0|1,0,0]=3 411 B7R1.10 N#CC1CC(=O)C1 SY024404 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.10 NCC1CC(O)C1 SY098741 [1,0,0,1,0,0|1,0,1]=4 413 B7R1.10 NC[C@H]1C[C@@H](O)C1 SY098823 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.10 O=C1CC(CBr)O1 SY250803 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.10 O=C1C[C@@H](CO)N1 SY278869 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.12 CC1=CC1C(=O)O SY273475 [1,0,0,1,0,0|0,0,2]=4 417 B7R1.12 C[C@H]1C[C@@H]1B(O)O SY297714 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.12 O=C(O)C1CC1F SY073271 [1,0,0,1,0,0|1,0,0]=3 419 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY069957 [1,0,0,1,0,0|1,0,0]=3 420 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY071317 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I SY263918 [1,0,0,1,0,0|1,0,0]=3 422 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SY071548 [1,0,0,1,0,0|1,0,0]=3 423 B7R1.12 O=C(O)[C@H]1C[C@H]1F SY071316 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.12 O=C(O)[C@H]1C[C@H]1I SY245634 [1,0,0,1,0,0|1,0,0]=3 425 B7R1.16 CC1(O)CC(=O)C1 SY297165 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.20 O=C(Cl)CC1CC1 SY237128 [1,0,0,1,0,0|1,0,0]=3 427 B7R1.20 O=C(Cl)OC1CC1 SY248051 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.7 CCCCC1CO1 SY049832 [1,0,0,1,0,0|1,0,1]=4 429 B7R1.14 O=P1(Cl)CCCC1 SY266748 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.18 N=C(N)C1CCC1 SY016171 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.18 NC(=O)C1CCC1 SY026669 [1,0,0,1,0,0|1,0,0]=3 432 B7R1.18 NC(=S)C1CCC1 SY139742 [1,0,0,1,0,0|1,1,0]=4 433 B7R1.18 O=C(Cl)N1CCC1 SY268945 [1,0,0,1,0,0|2,0,0]=4 434 B7R1.18 O=C(O)C1CCN1 SY013679 [1,0,0,1,0,0|1,0,0]=3 435 B7R1.18 O=C(O)C1CCO1 SY033341 [1,0,0,1,0,0|1,0,0]=3 436 B7R1.18 O=C(O)C1CNC1 SY002050 [1,0,0,1,0,0|1,0,0]=3 437 B7R1.18 O=C(O)C1COC1 SY008837 [1,0,0,1,0,0|1,0,0]=3 438 B7R1.18 O=C(O)[C@@H]1CCN1 SY004809 [1,0,0,1,0,0|1,0,0]=3 439 B7R1.18 O=C(O)[C@@H]1CCO1 SY269134 [1,0,0,1,0,0|1,0,0]=3 440 B7R1.18 O=C(O)[C@H]1CCN1 SY077312 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.18 O=[N+]([O-])C1CCC1 SY013426 [1,0,0,1,0,0|1,0,1]=4 442 B7R1.19 CC1(B(O)O)CC1 SY282665 [0,0,0,1,1,0|1,0,1]=4 443 B7R1.19 CC1(C(=O)O)CC1 SY003983 [0,0,0,1,1,0|0,0,0]=2 444 B7R1.19 CC1(C(N)=O)CC1 SY096633 [0,0,0,1,1,0|1,0,0]=3 445 B7R1.19 NC1(C(=O)O)CC1 SY002598 [0,0,0,1,1,0|1,0,0]=3 446 B7R1.19 NC1(C(=O)O)CC1 SY002607 [0,0,0,1,1,0|1,0,0]=3 447 B7R1.19 O=C(O)C1(F)CC1 SY058672 [0,0,0,1,1,0|1,0,0]=3 448 B7R1.19 O=C(O)C1(I)CC1 SY265152 [0,0,0,1,1,0|1,0,0]=3 449 B7R1.19 O=C(O)C1(O)CC1 SY097482 [0,0,0,1,1,0|1,0,0]=3 450 B9R1.1 CCN1CCC(=O)CC1 SY001787 [0,0,0,1,0,1|2,0,0]=4 451 B9R1.1 COC1CCC(=O)CC1 SY022709 [0,0,0,1,0,1|2,0,0]=4 452 B9R1.1 O=C1CCC(CO)CN1 SY111877 [0,0,0,1,0,1|2,0,0]=4 453 B9R1.35 CC(=O)N1CCC(N)C1 SY005627 [0,0,0,1,0,1|2,0,0]=4 454 B9R1.35 CC(=O)N1CCC(O)C1 SY012351 [0,0,0,1,0,1|2,0,0]=4 455 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SY005003 [0,0,0,1,0,1|2,0,0]=4 456 B9R1.35 CC(=O)N1CC[C@H](O)C1 SY005004 [0,0,0,1,0,1|2,0,0]=4 457 B9R1.35 CN1CCC(C(=O)O)C1 SY019266 [0,0,0,1,0,1|1,0,0]=3 458 B9R1.35 CN1CCC(C(=O)O)C1 SY020059 [0,0,0,1,0,1|1,0,0]=3 459 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 SY258090 [0,0,0,1,0,1|1,0,0]=3 460 B9R1.35 NC1CCC(C(=O)O)C1 SY006149 [0,0,0,1,0,1|1,0,0]=3 461 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY025607 [0,0,0,1,0,1|1,0,0]=3 462 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY029549 [0,0,0,1,0,1|1,0,0]=3 463 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SY016353 [0,0,0,1,0,1|1,0,0]=3 464 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SY098915 [0,0,0,1,0,1|2,0,0]=4 465 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SY003829 [0,0,0,1,0,1|2,0,0]=4 466 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 SY293378 [0,0,0,1,0,1|2,0,0]=4 467 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY018168 [0,0,0,1,0,1|2,0,0]=4 468 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY098988 [0,0,0,1,0,1|2,0,0]=4 469 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY009611 [0,0,0,1,0,1|2,0,0]=4 470 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY017668 [0,0,0,1,0,1|2,0,0]=4 471 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY003831 [0,0,0,1,0,1|2,0,0]=4 472 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY009616 [0,0,0,1,0,1|2,0,0]=4 473 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY008137 [0,0,0,1,0,1|2,0,0]=4 474 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY009610 [0,0,0,1,0,1|2,0,0]=4 475 B9R1.35 O=C1CCC(C(=O)O)C1 SY007001 [0,0,0,1,0,1|1,0,1]=4 476 B9R1.35 O=C1CCC(C(=O)O)O1 SY278788 [0,0,0,1,0,1|1,0,1]=4 477 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SY010496 [0,0,0,1,0,1|1,0,1]=4 478 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SY059752 [0,0,0,1,0,1|1,0,1]=4 479 B9R1.35 O=C1CC[C@H](C(=O)O)N1 SY002490 [0,0,0,1,0,1|1,0,1]=4 480 B9R1.35 O=C1CC[C@H](C(=O)O)O1 SY038942 [0,0,0,1,0,1|1,0,1]=4 481 B9R1.49 CN1CCCC(=O)CC1 SY002715 [0,0,0,1,0,1|2,0,0]=4 482 B9R1.49 CN1CCNC(=O)CC1 SY022083 [0,0,0,1,0,1|2,0,0]=4 483 B9R1.84 O=C(O)CCC1CCC1 SY132058 [0,0,0,1,0,1|0,0,0]=2 484 B9R1.95 COC1CC(C(=O)O)C1 SY099991 [0,0,0,1,0,1|1,0,0]=3 485 B9R1.95 O=C(O)C1CC(CO)C1 SY045202 [0,0,0,1,0,1|1,0,0]=3 486 B9R1.37 C[C@@H]1CN(O)C(=O)[C@@H]1N SY021451 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.37 C[C@@H]1CN(O)C(=O)[C@@H]1N SY022353 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.37 C[C@H]1CN(O)C(=O)[C@H]1N SY022713 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.41 CN1CCC[C@@H]1C(=O)O SY004606 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.41 CN1CCC[C@@H]1C(=O)O SY012525 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.41 CN1CCC[C@H]1C(=O)O SY004607 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.41 CN1CCC[C@H]1C(=O)O SY004777 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O SY024590 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O SY024589 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.41 O=C(O)C1CCOC1=O SY273670 [0,1,0,1,0,0|1,0,1]=4 496 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O SY007714 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.110 C[C@@H](C(=O)O)C1CCC1 SY299884 [0,1,0,1,0,0|0,0,0]=2 498 B9R1.110 C[C@H](C(=O)O)C1CCC1 SY299883 [0,1,0,1,0,0|0,0,0]=2 499 B9R1.110 NC(C(=O)O)C1CCC1 SY097683 [0,1,0,1,0,0|0,0,0]=2 500 B9R1.110 O=C(O)C(=O)N1CCC1 SY272363 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.7 CCC[C@H]1COC(=O)C1 SY039698 [0,1,0,1,0,0|0,0,0]=2 502 B9R1.13 O=C(O)CC1CCNC1 SY096981 [0,1,0,1,0,0|0,0,0]=2 503 B9R1.13 O=C(O)CC1CCOC1 SY039684 [0,1,0,1,0,0|0,0,0]=2 504 B9R1.13 O=C(O)CN1CCCC1 SY025097 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.13 O=C(O)C[C@@H]1CCCN1 SY107247 [0,1,0,1,0,0|0,0,0]=2 506 B9R1.13 O=C(O)C[C@H]1CCCN1 SY056877 [0,1,0,1,0,0|0,0,0]=2 507 B9R1.13 O=C(O)C[C@H]1CCCN1 SY245644 [0,1,0,1,0,0|0,0,0]=2 508 B9R1.22 CC[C@@H]1NC(=O)OC1=O SY225258 [0,1,0,1,0,0|1,0,1]=4 509 B9R1.22 CC[C@H]1NC(=O)OC1=O SY225259 [0,1,0,1,0,0|1,0,1]=4 510 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 SY099138 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.34 CC1=CC(C)CC(=O)C1 SY247473 [0,1,0,1,0,0|1,0,1]=4 512 B9R1.34 CC1CC(=O)CC(=O)C1 SY027841 [0,1,0,1,0,0|1,0,1]=4 513 B9R1.34 CC1CC(=O)OC(=O)C1 SY049353 [0,1,0,1,0,0|0,0,1]=3 514 B9R1.34 CN1CC(=O)OC(=O)C1 SY293494 [0,1,0,1,0,0|1,0,1]=4 515 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 SY121992 [0,1,0,1,0,0|1,0,0]=3 516 B9R1.38 CC1(C)CC(=O)OC1=O SY006235 [0,1,0,1,0,0|1,0,1]=4 517 B9R1.66 CC1(C)CC(=O)CCN1 SY030979 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.66 CC1(C)CC(=O)CCO1 SY006372 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.66 CC1(O)CCOC(=O)C1 SY032939 [0,1,0,1,0,0|0,0,0]=2 520 B9R1.137 NC(CC(=O)O)C1CC1 SY015526 [0,1,0,1,0,0|1,0,0]=3 521 B9R1.2 CCC1CC(=O)CCN1 SY278089 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.2 CCC1CCCC(O)C1 SY033582 [0,1,0,1,0,0|1,0,1]=4 523 B9R1.2 CCC1CCNC(=O)C1 SY163712 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.2 CN1CCC=C(CO)C1 SY284119 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.2 COC1=CCCN(C)C1 SY030660 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.2 NCC1CCCC(O)C1 SY019314 [0,1,0,1,0,0|1,0,1]=4 527 B9R1.2 O=C1CC(CBr)CCN1 SY263150 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.2 O=C1CC(CO)CCN1 SY042203 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.23 CN1CC(CCl)CC1=O SY246993 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.23 CN1CC(CN)CC1=O SY097444 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.23 CN1CC(CO)CC1=O SY097443 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.79 COC(=O)CC1COC1 SY097597 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.161 O=C(O)C1CC1C(F)F SY267502 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O SY040982 [0,1,0,1,0,0|1,0,1]=4 535 B9R2.39 O=C1CC2CCC1C2 SY049592 [0,0,0,2,0,0|1,0,0]=3 536 B9R2.39 O=C1CC2CNC1C2 SY262130 [0,0,0,2,0,0|2,0,0]=4 537 B9R2.139 O=C1CCC2(CC2)N1 SY023744 [0,0,0,2,0,0|2,0,0]=4 538 B9R2.25 O=C1OC(=O)C2CC12 SY029586 [0,0,0,2,0,0|1,0,1]=4 539 B9R2.109 O=C1CCCC2OC12 SY112669 [0,0,0,2,0,0|2,0,0]=4 540 B9R2.138 O=C1CC2(CCC2)C1 SY042178 [0,0,0,2,0,0|1,0,0]=3 541 B9R2.138 O=C1CC2(COC2)C1 SY097248 [0,0,0,2,0,0|2,0,0]=4 542 B9R2.143 NC(=O)[C@H]1CC12CC2 SY296012 [0,0,0,2,0,0|1,0,0]=3 543 B9R2.143 O=C(O)C1CC12CC2 SY192623 [0,0,0,2,0,0|0,0,0]=2 544 B9R2.143 O=C(O)[C@@H]1CC12CC2 SY288296 [0,0,0,2,0,0|0,0,0]=2 545 B9R2.143 O=C(O)[C@H]1CC12CC2 SY292257 [0,0,0,2,0,0|0,0,0]=2 546 B5R0.5 CC(Br)C(N)=O SY106825 [1,0,0,0,1,0|2,0,0]=4 547 B5R0.5 CC(C)B(O)O SY006229 [1,0,0,0,1,0|1,0,1]=4 548 B5R0.5 CC(C)C(=N)N SY024838 [1,0,0,0,1,0|2,0,0]=4 549 B5R0.5 CC(C)C(N)=O SY015332 [1,0,0,0,1,0|1,0,0]=3 550 B5R0.5 CC(N)C(=O)O SY005245 [1,0,0,0,1,0|1,0,0]=3 551 B5R0.5 CC(N)C(N)=O SY012823 [1,0,0,0,1,0|2,0,0]=4 552 B5R0.5 CC(N)C(N)=O SY027188 [1,0,0,0,1,0|2,0,0]=4 553 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [1,0,0,0,1,0|1,0,0]=3 554 B5R0.5 C[C@@H](N)C(=O)O SY002277 [1,0,0,0,1,0|1,0,0]=3 555 B5R0.5 C[C@@H](N)C(N)=O SY030965 [1,0,0,0,1,0|2,0,0]=4 556 B5R0.5 C[C@@H](N)C(N)=O SY111070 [1,0,0,0,1,0|2,0,0]=4 557 B5R0.5 C[C@@H](O)C(N)=O SY022608 [1,0,0,0,1,0|2,0,0]=4 558 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [1,0,0,0,1,0|1,0,0]=3 559 B5R0.5 C[C@H](N)C(N)=O SY031439 [1,0,0,0,1,0|2,0,0]=4 560 B5R0.5 O=C(O)C(F)Br SY040308 [1,0,0,0,1,0|2,0,0]=4 561 B5R0.5 O=C(O)C(F)Cl SY275169 [1,0,0,0,1,0|2,0,0]=4 562 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [1,0,0,0,1,0|2,0,0]=4 563 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [1,0,0,0,1,0|2,0,0]=4