0 B9R1.35 CC(C)[C@@H]1COC(=O)N1 SY021565 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(C)[C@H]1COC(=O)N1 SY007944 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CN1CCC(C(=O)O)C1 SY019266 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CN1CCC(C(=O)O)C1 SY020059 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 SY258090 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 NC1CCC(C(=O)O)C1 SY006149 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY025607 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY029549 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SY016353 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 O=C(O)C1=CN=C(Br)N1 SY035164 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SY098915 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SY003829 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 SY293378 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY018168 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY098988 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY009611 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY017668 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY003831 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY009616 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY008137 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY009610 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.35 O=C1CC(C(=O)O)CN1 SY041979 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 O=C1CCC(C(=O)O)C1 SY007001 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.35 O=C1CCC(C(=O)O)O1 SY278788 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SY010496 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SY059752 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.35 O=C1CC[C@H](C(=O)O)N1 SY002490 [0,0,0,0,0,0|0,0,0]=0 27 B9R1.35 O=C1CC[C@H](C(=O)O)O1 SY038942 [0,0,0,0,0,0|1,0,0]=1 28 B9R1.35 O=C1NC=C(C(=O)O)N1 SY018249 [0,0,0,0,0,0|1,0,2]=3 29 B9R1.35 O=C1NCC(C(=O)O)N1 SY035223 [0,0,0,0,0,0|1,0,0]=1 30 B8R1.1 CCC1CCC(=O)O1 SY015382 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.1 N#CC1CCC(=O)C1 SY038122 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 NCC1CCC(=O)N1 SY006694 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.1 NCC1COC(=O)N1 SY040257 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.1 NC[C@@H]1CCC(=O)N1 SY045358 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.1 NC[C@@H]1CCC(=O)N1 SY215400 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.1 NC[C@H]1CCC(=O)N1 SY024297 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.1 O=C1CC(CO)CN1 SY008749 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 O=C1CCC(CBr)O1 SY250804 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.1 O=C1CCC(CO)N1 SY059670 [1,0,0,0,0,0|0,0,1]=2 40 B8R1.1 O=C1CC[C@@H](CBr)N1 SY033743 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.1 O=C1CC[C@@H](CO)N1 SY004165 [1,0,0,0,0,0|0,0,1]=2 42 B8R1.1 O=C1CC[C@@H](CO)O1 SY010497 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.1 O=C1CC[C@H](CBr)N1 SY066920 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.1 O=C1CC[C@H](CO)N1 SY004164 [1,0,0,0,0,0|0,0,1]=2 45 B8R1.1 O=C1NC(CO)CO1 SY038213 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.1 O=C1NCC(CO)O1 SY005286 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.1 O=C1N[C@@H](CO)CO1 SY284529 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.1 O=C1N[C@H](CO)CO1 SY251331 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.1 O=C1OCC(CO)O1 SY037075 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.7 CC(=O)C1CCCC1 SY035519 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 NC(=O)C1CCCO1 SY012530 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.7 NC(=O)[C@@H]1CCCN1 SY003793 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.7 NC(=O)[C@@H]1CCNC1 SY010578 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.7 NC(=O)[C@H]1CCCN1 SY008764 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.7 NC(=O)[C@H]1CCNC1 SY008249 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.7 NC(=O)[C@H]1CCNC1 SY024593 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.7 O=C(Cl)C1CCCO1 SY084361 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.7 O=C(Cl)C1CCOC1 SY211383 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.7 O=C(O)C1=CC=CN1 SY014890 [1,0,0,0,0,0|0,0,3]=4 60 B8R1.7 O=C(O)C1=CCCC1 SY027520 [1,0,0,0,0,0|1,0,2]=4 61 B8R1.7 O=C(O)C1=COCC1 SY027844 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.7 O=C(O)C1=NC=CN1 SY007870 [1,0,0,0,0,0|1,0,2]=4 63 B8R1.7 O=C(O)C1C=CCN1 SY251245 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.7 O=C(O)C1CC=CC1 SY003813 [1,0,0,0,0,0|1,0,1]=3 65 B8R1.7 O=C(O)C1CCCN1 SY006205 [1,0,0,0,0,0|0,0,1]=2 66 B8R1.7 O=C(O)C1CCNC1 SY008997 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.7 O=C(O)C1CCOC1 SY031543 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.7 O=C(O)[C@@H]1C=CCN1 SY022074 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.7 O=C(O)[C@@H]1CCCN1 SY001305 [1,0,0,0,0,0|0,0,1]=2 70 B8R1.7 O=C(O)[C@@H]1CCCO1 SY016392 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.7 O=C(O)[C@@H]1CCNC1 SY010178 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.7 O=C(O)[C@@H]1CCOC1 SY016391 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.7 O=C(O)[C@H]1C=CCN1 SY251243 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.7 O=C(O)[C@H]1CCCN1 SY001352 [1,0,0,0,0,0|0,0,1]=2 75 B8R1.7 O=C(O)[C@H]1CCNC1 SY010177 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.7 O=C(O)[C@H]1CCOC1 SY016390 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.7 O=C([O-])C1CCC=N1 SY100503 [1,0,0,0,0,0|0,0,2]=3 78 B8R1.7 OC(=S)[C@@H]1CCCO1 SY299828 [1,0,0,0,0,0|1,1,1]=4 79 B10R1.14 COC(=O)C1=CNC(=O)N1 SY018247 [0,1,0,0,0,0|1,0,2]=4 80 B10R1.14 COC(=O)C1CCC(=O)C1 SY009632 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.14 COC(=O)C1CCC(=O)N1 SY018512 [0,1,0,0,0,0|0,0,0]=1 82 B10R1.14 COC(=O)C1CCC(N)C1 SY021245 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.14 COC(=O)C1CNC(=O)C1 SY013060 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 SY005968 [0,1,0,0,0,0|0,0,0]=1 85 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 SY029550 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 SY071670 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 SY005901 [0,1,0,0,0,0|0,0,0]=1 88 B10R1.14 COC(=O)[C@H]1COC(=O)N1 SY110142 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.58 CN1CC(C(=O)O)CC1=O SY013234 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.58 CN1CC(C(N)=O)CC1=O SY013254 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.58 O=C(O)C1C[C@H](F)[C@H](F)C1 SY302362 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.359 O=C(O)C1CCC(F)(F)C1 SY042234 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.8 C=CCC[C@@H](N)C(=O)O SY254077 [0,0,1,0,0,0|1,0,0]=2 94 B8R0.8 CCCCC(N)C(=O)O SY038236 [0,0,1,0,0,0|1,0,1]=3 95 B8R0.8 CCCC[C@@H](N)C(=O)O SY062052 [0,0,1,0,0,0|1,0,1]=3 96 B8R0.8 CCCC[C@H](N)C(=O)O SY036145 [0,0,1,0,0,0|1,0,1]=3 97 B8R0.8 CSCC[C@@H](N)C(=O)O SY004418 [0,0,1,0,0,0|2,0,0]=3 98 B8R0.8 NCCCC(N)C(=O)O SY005810 [0,0,1,0,0,0|1,0,1]=3 99 B8R0.8 NCCC[C@@H](N)C(=O)O SY007936 [0,0,1,0,0,0|1,0,1]=3 100 B8R0.8 NCCC[C@H](N)C(=O)O SY005520 [0,0,1,0,0,0|1,0,1]=3 101 B8R0.8 NCCC[C@H](N)C(=O)O SY066991 [0,0,1,0,0,0|1,0,1]=3 102 B8R0.8 N[C@@H](CCCO)C(=O)O SY269711 [0,0,1,0,0,0|0,0,2]=3 103 B8R0.9 CCC(=O)CCC(=O)O SY270773 [0,0,1,0,0,0|1,0,0]=2 104 B8R0.9 CCC(=O)NCC(C)C SY034683 [0,0,1,0,0,0|2,0,1]=4 105 B8R0.9 COC(=O)CCC(=O)O SY009523 [0,0,1,0,0,0|2,0,0]=3 106 B8R0.9 COC(=O)CCC(C)=O SY048239 [0,0,1,0,0,0|3,0,0]=4 107 B8R0.9 COC(=O)NCC(=O)O SY032049 [0,0,1,0,0,0|1,0,0]=2 108 B8R0.9 COC(=O)\C=C\C(=O)O SY039225 [0,0,1,0,0,0|2,0,1]=4 109 B8R0.9 NCC(=O)CCC(=O)O SY017972 [0,0,1,0,0,0|2,0,0]=3 110 B8R0.9 NCC(=O)NCC(=O)O SY018005 [0,0,1,0,0,0|1,0,0]=2 111 B8R0.9 NCC(=O)NCC(N)=O SY250873 [0,0,1,0,0,0|2,0,0]=3 112 B8R0.9 NNC(=O)NCC(=O)O SY249404 [0,0,1,0,0,0|2,0,0]=3 113 B8R0.15 CCOC(CC)C(=O)O SY057654 [0,0,1,0,0,0|2,0,1]=4 114 B8R0.23 C=C(NC(C)=O)C(=O)O SY026505 [0,0,1,0,0,0|0,0,2]=3 115 B8R0.23 CC(=O)NC(C)C(=O)O SY032572 [0,0,1,0,0,0|0,0,0]=1 116 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SY038273 [0,0,1,0,0,0|0,0,0]=1 117 B8R0.23 CC(CC(=O)O)C(=O)O SY036933 [0,0,1,0,0,0|2,0,0]=3 118 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SY104041 [0,0,1,0,0,0|2,0,0]=3 119 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SY004421 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SY008178 [0,0,1,0,0,0|3,0,0]=4 121 B8R0.23 NC(=O)C[C@H](N)C(=O)O SY014875 [0,0,1,0,0,0|3,0,0]=4 122 B8R0.23 N[C@H](CC(=O)O)C(=O)O SY009812 [0,0,1,0,0,0|3,0,0]=4 123 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SY009804 [0,0,1,0,0,0|3,0,0]=4 124 B8R0.23 O=C(O)C[C@H](F)C(=O)O SY247078 [0,0,1,0,0,0|3,0,0]=4 125 B8R0.23 O=C(O)C[C@H](O)C(=O)O SY003313 [0,0,1,0,0,0|3,0,0]=4 126 B8R0.28 CC(=O)CCCC(=O)O SY015106 [0,0,1,0,0,0|1,0,0]=2 127 B8R0.28 CC(=O)CCCC(C)=O SY253771 [0,0,1,0,0,0|2,0,0]=3 128 B8R0.28 CC(=O)NCCC(=O)O SY025089 [0,0,1,0,0,0|2,0,0]=3 129 B8R0.28 CN(C)CCCC(=O)O SY058453 [0,0,1,0,0,0|3,0,0]=4 130 B8R0.28 N=C(N)NCCC(=O)O SY066704 [0,0,1,0,0,0|2,0,0]=3 131 B8R0.28 O=C(O)CCCC(=O)O SY029948 [0,0,1,0,0,0|1,0,0]=2 132 B10R2.60 O=C1CC2CC1CC2=O SY224501 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.23 C=C1CC(C(=O)O)C1 SY039273 [0,0,0,0,1,0|2,0,0]=3 134 B8R1.23 CC1CC(C(=O)O)C1 SY042063 [0,0,0,0,1,0|2,0,1]=4 135 B8R1.23 CN1CC(C(=O)O)C1 SY097022 [0,0,0,0,1,0|3,0,0]=4 136 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SY026883 [0,0,0,0,1,0|2,0,1]=4 137 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SY026884 [0,0,0,0,1,0|2,0,1]=4 138 B8R1.23 O=C(O)C1CC(Cl)C1 SY024876 [0,0,0,0,1,0|2,0,1]=4 139 B8R1.23 O=C(O)C1CC(O)C1 SY098700 [0,0,0,0,1,0|1,0,2]=4 140 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SY042433 [0,0,0,0,1,0|1,0,2]=4 141 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SY042435 [0,0,0,0,1,0|1,0,2]=4 142 B8R1.23 O=C1CC(C(=O)O)C1 SY008366 [0,0,0,0,1,0|1,0,0]=2 143 B10R1.13 CC(=O)N1CCC(=O)CC1 SY011035 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.13 CC1CCC(C(=O)O)CC1 SY113256 [0,0,0,0,0,1|2,0,1]=4 145 B10R1.13 CN1CCC(C(=O)O)CC1 SY014228 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 SY066773 [0,0,0,0,0,1|2,0,1]=4 147 B10R1.13 NC1CCC(C(=O)O)CC1 SY029216 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 SY002609 [0,0,0,0,0,1|2,0,1]=4 149 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SY026590 [0,0,0,0,0,1|2,0,1]=4 150 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SY038982 [0,0,0,0,0,1|2,0,1]=4 151 B10R1.13 O=C(O)C1CCC(O)CC1 SY011572 [0,0,0,0,0,1|1,0,2]=4 152 B10R1.13 O=C(O)C1CCC(O)CC1 SY285104 [0,0,0,0,0,1|1,0,2]=4 153 B10R1.13 O=C(O)C1CCC(O)CN1 SY232837 [0,0,0,0,0,1|0,0,2]=3 154 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 SY235536 [0,0,0,0,0,1|0,0,2]=3 155 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 SY016503 [0,0,0,0,0,1|1,0,2]=4 156 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 SY011571 [0,0,0,0,0,1|1,0,2]=4 157 B10R1.13 O=C1CCC(C(=O)O)=NN1 SY008389 [0,0,0,0,0,1|0,0,1]=2 158 B10R1.13 O=C1CCC(C(=O)O)CC1 SY018365 [0,0,0,0,0,1|1,0,0]=2 159 B10R1.13 O=C1CCC(C(=O)O)CN1 SY008266 [0,0,0,0,0,1|0,0,0]=1 160 B10R1.54 O=C(O)CC1CNC(=O)C1 SY237681 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 SY021538 [0,0,0,0,0,1|2,0,1]=4 162 B10R1.113 CC(=O)C1CCNC(=O)C1 SY263174 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.113 CC(=O)N1CCCC(=O)C1 SY129383 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 SY223897 [0,0,0,0,0,1|1,0,1]=3 165 B10R1.113 CN1CCCC(C(=O)O)C1 SY081587 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.113 NC1CCCC(C(=O)O)C1 SY003294 [0,0,0,0,0,1|2,0,1]=4 167 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SY025809 [0,0,0,0,0,1|2,0,1]=4 168 B10R1.113 O=C(O)C1CCCC(O)C1 SY043163 [0,0,0,0,0,1|1,0,2]=4 169 B10R1.113 O=C(O)C1CNCC(O)C1 SY003650 [0,0,0,0,0,1|1,0,2]=4 170 B10R1.113 O=C(O)C1CNCC(O)C1 SY003665 [0,0,0,0,0,1|1,0,2]=4 171 B10R1.113 O=C1CC(C(=O)O)CCN1 SY039894 [0,0,0,0,0,1|1,0,0]=2 172 B10R1.113 O=C1CCCC(C(=O)O)C1 SY026629 [0,0,0,0,0,1|1,0,0]=2 173 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 SY238900 [0,0,0,0,0,1|0,0,0]=1 174 B7R0.3 CCC(=O)OCCO SY301488 [1,0,1,0,0,0|1,0,1]=4 175 B7R0.4 C#CCCCC(=O)O SY026710 [1,0,1,0,0,0|1,0,1]=4 176 B7R0.4 C=CCCCC(=O)O SY050075 [1,0,1,0,0,0|1,0,0]=3 177 B7R0.4 CCCCCC(N)=O SY051726 [1,0,1,0,0,0|1,0,1]=4 178 B7R0.4 CCCOCC(=O)O SY025048 [1,0,1,0,0,0|1,0,1]=4 179 B7R0.4 CNCCCC(=O)O SY032531 [1,0,1,0,0,0|2,0,0]=4 180 B7R0.4 COCCCC(=O)O SY045907 [1,0,1,0,0,0|2,0,0]=4 181 B7R0.4 N#CCCCC(=O)O SY008532 [1,0,1,0,0,0|0,0,2]=4 182 B7R0.4 NC(=O)CCCCBr SY253590 [1,0,1,0,0,0|1,0,1]=4 183 B7R0.4 NC(=O)CCCCCl SY184285 [1,0,1,0,0,0|1,0,1]=4 184 B7R0.4 NCCCCC(=O)O SY002964 [1,0,1,0,0,0|0,0,1]=3 185 B7R0.4 NCCCCC(N)=O SY247757 [1,0,1,0,0,0|1,0,1]=4 186 B7R0.4 O=C(O)CCCCCl SY051600 [1,0,1,0,0,0|1,0,1]=4 187 B7R0.4 O=C(O)CCCCS SY141369 [1,0,1,0,0,0|0,1,1]=4 188 B7R0.4 O=C([O-])CCCCO SY019284 [1,0,1,0,0,0|1,0,1]=4 189 B7R0.5 C#CCC(N)C(=O)O SY139497 [1,0,1,0,0,0|0,0,2]=4 190 B7R0.5 C#CC[C@@H](N)C(=O)O SY105090 [1,0,1,0,0,0|0,0,2]=4 191 B7R0.5 C=CCC(C)C(=O)O SY048335 [1,0,1,0,0,0|1,0,1]=4 192 B7R0.5 C=CCC(N)C(=O)O SY052428 [1,0,1,0,0,0|0,0,1]=3 193 B7R0.5 C=CC[C@@H](N)C(=O)O SY064478 [1,0,1,0,0,0|0,0,1]=3 194 B7R0.5 C=CC[C@H](N)C(=O)O SY008709 [1,0,1,0,0,0|0,0,1]=3 195 B7R0.5 CC=CC(C)C(=O)O SY254091 [1,0,1,0,0,0|1,0,0]=3 196 B7R0.5 CCCC(N)C(=O)O SY035722 [1,0,1,0,0,0|0,0,1]=3 197 B7R0.5 CCC[C@@H](N)C(=O)O SY019949 [1,0,1,0,0,0|0,0,1]=3 198 B7R0.5 CCC[C@H](N)C(=O)O SY001938 [1,0,1,0,0,0|0,0,1]=3 199 B7R0.5 CCOC(C)C(=O)O SY040144 [1,0,1,0,0,0|1,0,1]=4 200 B7R0.5 CNC[C@H](N)C(=O)O SY013432 [1,0,1,0,0,0|1,0,1]=4 201 B7R0.5 COCC(N)C(=O)O SY034134 [1,0,1,0,0,0|1,0,1]=4 202 B7R0.5 COC[C@@H](N)C(=O)O SY023999 [1,0,1,0,0,0|1,0,1]=4 203 B7R0.5 COC[C@H](N)C(=O)O SY114490 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.5 NC(CCO)C(=O)O SY005812 [1,0,1,0,0,0|0,0,1]=3 205 B7R0.5 NCCC(N)C(=O)O SY005642 [1,0,1,0,0,0|1,0,0]=3 206 B7R0.5 NCC[C@@H](N)C(=O)O SY005641 [1,0,1,0,0,0|1,0,0]=3 207 B7R0.5 NCC[C@H](N)C(=O)O SY005640 [1,0,1,0,0,0|1,0,0]=3 208 B7R0.5 NCC[C@H](O)C(=O)O SY008713 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.5 N[C@@H](CCO)C(=O)O SY005811 [1,0,1,0,0,0|0,0,1]=3 210 B7R0.5 N[C@@H](CCS)C(=O)O SY026382 [1,0,1,0,0,0|0,1,0]=3 211 B7R0.5 N[C@H](CCO)C(=O)O SY014844 [1,0,1,0,0,0|0,0,1]=3 212 B7R0.6 C=C(Br)CNC(C)=O SY264197 [1,0,1,0,0,0|2,0,0]=4 213 B7R0.6 CC(=O)CCC(N)=O SY273013 [1,0,1,0,0,0|2,0,0]=4 214 B7R0.6 CC(=O)NCC(=O)O SY013515 [1,0,1,0,0,0|0,0,0]=2 215 B7R0.6 N=C(N)NCC(=O)O SY015122 [1,0,1,0,0,0|2,0,0]=4 216 B7R0.15 CCC(OC)C(=O)O SY057653 [1,0,1,0,0,0|1,0,1]=4 217 B7R0.15 CN[C@@H](CS)C(=O)O SY237929 [1,0,1,0,0,0|1,0,1]=4 218 B7R1.1 O=CC1CCCC1 SY004589 [2,0,0,0,0,0|1,0,1]=4 219 B7R1.1 O=CC1CCCO1 SY024520 [2,0,0,0,0,0|1,0,1]=4 220 B7R1.1 O=CC1CCOC1 SY046752 [2,0,0,0,0,0|2,0,0]=4 221 B7R1.1 OCC1CCCN1 SY013851 [2,0,0,0,0,0|0,0,2]=4 222 B7R1.1 OC[C@H]1CCCN1 SY013466 [2,0,0,0,0,0|0,0,2]=4 223 B7R1.2 CC1CCC(=O)C1 SY003033 [2,0,0,0,0,0|1,0,1]=4 224 B7R1.2 CC1CCC(=O)O1 SY011304 [2,0,0,0,0,0|1,0,1]=4 225 B7R1.2 CC1COC(=O)N1 SY037847 [2,0,0,0,0,0|1,0,1]=4 226 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [2,0,0,0,0,0|1,0,1]=4 227 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [2,0,0,0,0,0|1,0,1]=4 228 B7R1.2 O=C1CC(O)CN1 SY031844 [2,0,0,0,0,0|2,0,0]=4 229 B7R1.2 O=C1CCC(=O)C1 SY003377 [2,0,0,0,0,0|1,0,1]=4 230 B7R1.2 O=C1CCC(O)C1 SY040217 [2,0,0,0,0,0|1,0,0]=3 231 B7R1.2 O=C1CSC(=O)N1 SY001546 [2,0,0,0,0,0|1,0,1]=4 232 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [2,0,0,0,0,0|2,0,0]=4 233 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [2,0,0,0,0,0|2,0,0]=4 234 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [2,0,0,0,0,0|2,0,0]=4 235 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [2,0,0,0,0,0|2,0,0]=4 236 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O SY268968 [0,1,1,0,0,0|2,0,0]=4 237 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O SY268975 [0,1,1,0,0,0|2,0,0]=4 238 B9R0.7 N=C(N)NC[C@H](N)C(=O)O SY073073 [0,1,1,0,0,0|2,0,0]=4 239 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O SY020875 [0,1,1,0,0,0|0,0,0]=2 240 B9R0.7 NC(CCC(=O)O)C(=O)O SY008517 [0,1,1,0,0,0|0,0,0]=2 241 B9R0.7 NC(CCC(=O)O)C(=O)O SY008518 [0,1,1,0,0,0|0,0,0]=2 242 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SY007089 [0,1,1,0,0,0|0,0,0]=2 243 B9R0.8 COC(=O)[C@@H](N)CCCN SY066394 [0,1,1,0,0,0|1,0,1]=4 244 B9R0.8 COC(=O)[C@H](N)CCSC SY066424 [0,1,1,0,0,0|2,0,0]=4 245 B9R0.47 CCSCC[C@H](N)C(=O)O SY101955 [0,1,1,0,0,0|1,0,1]=4 246 B9R0.47 NCCCCC(N)C(=O)O SY006120 [0,1,1,0,0,0|1,0,1]=4 247 B9R0.47 NCCCC[C@@H](N)C(=O)O SY007003 [0,1,1,0,0,0|1,0,1]=4 248 B9R0.47 NCCCC[C@@H](N)C(=O)O SY279831 [0,1,1,0,0,0|1,0,1]=4 249 B9R0.47 NCCCC[C@H](N)C(=O)O SY006447 [0,1,1,0,0,0|1,0,1]=4 250 B9R0.47 NCCCC[C@H](N)C(=O)O SY018594 [0,1,1,0,0,0|1,0,1]=4 251 B9R0.47 NCCCC[C@H](N)C(=O)O SY030505 [0,1,1,0,0,0|1,0,1]=4 252 B9R0.47 NCCCC[C@H](N)C(=O)O SY036176 [0,1,1,0,0,0|1,0,1]=4 253 B9R0.47 NC\C=C\CC(N)C(=O)O SY268261 [0,1,1,0,0,0|1,0,1]=4 254 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O SY295990 [0,1,1,0,0,0|2,0,0]=4 255 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O SY287021 [0,1,1,0,0,0|2,0,0]=4 256 B9R0.51 C=CCCC(C)(C)C(=O)O SY262269 [0,1,1,0,0,0|2,0,0]=4 257 B9R0.23 COC(=O)[C@@H](C)CC(=O)O SY254300 [0,1,1,0,0,0|2,0,0]=4 258 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SY026157 [0,1,1,0,0,0|2,0,0]=4 259 B9R0.23 COC(=O)[C@H](N)CC(=O)O SY076701 [0,1,1,0,0,0|2,0,0]=4 260 B9R0.24 CCC(=O)CCC(=O)OC SY270772 [0,1,1,0,0,0|1,0,0]=3 261 B9R0.24 COC(=O)CCC(=O)CBr SY034031 [0,1,1,0,0,0|2,0,0]=4 262 B9R0.24 COC(=O)CCC(=O)CN SY023721 [0,1,1,0,0,0|2,0,0]=4 263 B9R0.24 COC(=O)CNC(=O)CN SY102049 [0,1,1,0,0,0|1,0,0]=3 264 B9R0.24 COC(=O)CNC(=O)OC SY238214 [0,1,1,0,0,0|1,0,0]=3 265 B9R0.48 CCOC(=O)CCC(=O)O SY058510 [0,1,1,0,0,0|1,0,0]=3 266 B9R0.48 CCOC(=O)\C=C\C(=O)O SY001478 [0,1,1,0,0,0|1,0,1]=4 267 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O SY009511 [0,1,1,0,0,0|1,0,0]=3 268 B9R0.39 CN[C@H](CC(=O)O)C(=O)O SY035118 [0,1,1,0,0,0|2,0,0]=4 269 B9R0.11 CC(C)(CC(=O)O)C(=O)O SY004631 [0,1,1,0,0,0|2,0,0]=4 270 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O SY271892 [0,1,1,0,0,0|2,0,0]=4 271 B9R0.57 C[C@@H](OS(C)(=O)=O)C(=O)O SY284956 [0,1,1,0,0,0|2,0,0]=4 272 B9R0.1 COC(=O)CCCC(=O)O SY029949 [0,1,1,0,0,0|1,0,0]=3 273 B9R0.1 COC(=O)CCCC(C)=O SY113736 [0,1,1,0,0,0|1,0,0]=3 274 B9R0.1 COC(=O)CCC[N+](=O)[O-] SY103838 [0,1,1,0,0,0|2,0,0]=4 275 B9R0.53 CC(CC(=O)O)CC(=O)O SY049418 [0,1,1,0,0,0|1,0,0]=3 276 B9R0.53 CN(CC(=O)O)CC(=O)O SY011911 [0,1,1,0,0,0|2,0,0]=4 277 B9R0.53 NC(CC(=O)O)CC(=O)O SY239462 [0,1,1,0,0,0|1,0,0]=3 278 B9R0.53 NC(CC(=O)O)CC(=O)O SY239922 [0,1,1,0,0,0|1,0,0]=3 279 B9R0.53 O=C(O)CC(O)CC(=O)O SY122582 [0,1,1,0,0,0|1,0,0]=3 280 B9R0.56 NS(=O)(=O)CCCC(=O)O SY104163 [0,1,1,0,0,0|1,0,0]=3 281 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 SY099138 [1,1,0,0,0,0|1,0,1]=4 282 B9R1.23 CN1CC(C=O)CC1=O SY272761 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.11 COC(=O)C1CCCC1 SY049570 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.11 COC(=O)C1CCCN1 SY033211 [1,1,0,0,0,0|0,0,1]=3 285 B9R1.11 COC(=O)C1CCNC1 SY008084 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.11 COC(=O)C1CCOC1 SY042132 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.11 COC(=O)[C@@H]1CCCN1 SY005778 [1,1,0,0,0,0|0,0,1]=3 288 B9R1.11 COC(=O)[C@@H]1CCNC1 SY097075 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.11 COC(=O)[C@@H]1CCNC1 SY122122 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.11 COC(=O)[C@H]1CCCN1 SY018101 [1,1,0,0,0,0|0,0,1]=3 291 B9R1.11 COC(=O)[C@H]1CCNC1 SY105039 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.41 CN1CCC[C@@H]1C(=O)O SY004606 [1,1,0,0,0,0|0,0,1]=3 293 B9R1.41 CN1CCC[C@@H]1C(=O)O SY012525 [1,1,0,0,0,0|0,0,1]=3 294 B9R1.41 CN1CCC[C@H]1C(=O)O SY004607 [1,1,0,0,0,0|0,0,1]=3 295 B9R1.41 CN1CCC[C@H]1C(=O)O SY004777 [1,1,0,0,0,0|0,0,1]=3 296 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O SY024590 [1,1,0,0,0,0|1,0,1]=4 297 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O SY024589 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.41 O=C(O)C1CCOC1=O SY273670 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O SY007714 [1,1,0,0,0,0|0,0,1]=3 300 B9R1.163 CC1(C(=O)O)CCCO1 SY012393 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.163 CC1(C(=O)O)CCNC1 SY101588 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.163 C[C@@]1(C(=O)O)CCCN1 SY018577 [1,1,0,0,0,0|0,0,1]=3 303 B9R1.163 C[C@@]1(C(=O)O)CCCN1 SY098797 [1,1,0,0,0,0|0,0,1]=3 304 B9R1.163 C[C@@]1(C(N)=O)CCCN1 SY025997 [1,1,0,0,0,0|1,0,1]=4 305 B9R1.163 C[C@]1(C(=O)O)CCCN1 SY027335 [1,1,0,0,0,0|0,0,1]=3 306 B9R1.163 NC1(C(=O)O)CC=CC1 SY257772 [1,1,0,0,0,0|1,0,1]=4 307 B9R1.163 NC1(C(=O)O)CCCC1 SY002601 [1,1,0,0,0,0|1,0,1]=4 308 B9R1.163 NC1(C(=O)O)CCOC1 SY039342 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.163 O=C(O)C1(F)CCCC1 SY039481 [1,1,0,0,0,0|1,0,1]=4 310 B9R1.163 O=C(O)C1(O)CCCC1 SY031777 [1,1,0,0,0,0|1,0,1]=4 311 B9R1.82 C=C1CC(C(=O)OC)C1 SY102626 [0,1,0,0,1,0|2,0,0]=4 312 B9R1.82 COC(=O)C1CC(=O)C1 SY012186 [0,1,0,0,1,0|1,0,0]=3 313 B9R1.164 O=C(O)C1CS(=O)(=O)C1 SY043109 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.22 COC(=O)C1CCC(=O)CC1 SY022071 [0,1,0,0,0,1|1,0,0]=3 315 B11R1.22 COC(=O)C1CCC(C)NC1 SY026423 [0,1,0,0,0,1|1,0,1]=4 316 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 SY031141 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.727 N=S1(=O)CCC(C(=O)O)CC1 SY261632 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 SY042043 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.39 COC(=O)CC1CNC(=O)C1 SY246033 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.39 COC(=O)C[C@@H]1CCC(=O)N1 SY264730 [0,1,0,0,0,1|0,0,0]=2 321 B11R1.80 CN1CC(CC(=O)O)CC1=O SY237682 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.23 COC(=O)C1CCCC(=O)C1 SY041265 [0,1,0,0,0,1|1,0,0]=3 323 B11R1.23 COC(=O)C1CCNC(=O)C1 SY035878 [0,1,0,0,0,1|1,0,0]=3 324 B11R1.23 COC(=O)N1CCCC(=O)C1 SY032067 [0,1,0,0,0,1|2,0,0]=4 325 B11R1.74 O=C1CC(C(=O)O)CC(=O)N1 SY035834 [0,1,0,0,0,1|1,0,1]=4 326 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 SY042036 [0,1,0,0,0,1|0,0,1]=3 327 B11R1.15 CCOC(=O)C1=CC(=O)CC1 SY257880 [0,2,0,0,0,0|1,0,1]=4 328 B11R1.15 CCOC(=O)C1CC(=O)CO1 SY292512 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.15 CCOC(=O)C1CCC(=O)C1 SY020769 [0,2,0,0,0,0|1,0,0]=3 330 B11R1.15 CCOC(=O)C1CCC(=O)N1 SY060258 [0,2,0,0,0,0|0,0,0]=2 331 B11R1.15 CCOC(=O)C1CCC(=S)N1 SY129442 [0,2,0,0,0,0|0,1,0]=3 332 B11R1.15 CCOC(=O)C1CNC(=O)C1 SY101329 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.15 CCOC(=O)N1CCC(=O)C1 SY020467 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 SY023258 [0,2,0,0,0,0|0,0,0]=2 335 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 SY023259 [0,2,0,0,0,0|0,0,0]=2 336 B11R1.44 COC(=O)C1CCC(CO)N1 SY262843 [0,2,0,0,0,0|0,0,2]=4 337 B11R1.226 COC(=O)C1CC(=O)N(C)C1 SY013253 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.226 COC(=O)[C@@H]1C[C@@H](O)C(=O)N1 SY249467 [0,2,0,0,0,0|0,0,0]=2 339 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 SY030198 [0,2,0,0,0,0|1,0,1]=4 340 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 SY197264 [0,2,0,0,0,0|1,0,1]=4 341 B9R1.6 O=C(O)C1CCCCN1 SY002975 [0,0,1,1,0,0|1,0,1]=4 342 B9R1.6 O=C(O)[C@@H]1CC=CCC1 SY097786 [0,0,1,1,0,0|2,0,0]=4 343 B9R1.6 O=C(O)[C@@H]1CCCCN1 SY003076 [0,0,1,1,0,0|1,0,1]=4 344 B9R1.6 O=C(O)[C@H]1CC=CCC1 SY098140 [0,0,1,1,0,0|2,0,0]=4 345 B9R1.6 O=C(O)[C@H]1CCCCN1 SY003075 [0,0,1,1,0,0|1,0,1]=4 346 B9R1.69 CC1CCC(=O)CC1=O SY271609 [0,0,1,1,0,0|2,0,0]=4 347 B9R1.69 NC1CCC(=O)NC1=O SY030429 [0,0,1,1,0,0|1,0,0]=3 348 B9R1.69 NC1CCC(=O)NC1=O SY258364 [0,0,1,1,0,0|1,0,0]=3 349 B9R1.69 N[C@H]1CCC(=O)NC1=O SY249869 [0,0,1,1,0,0|1,0,0]=3 350 B9R1.69 N[C@H]1CCC(=O)NC1=O SY277317 [0,0,1,1,0,0|1,0,0]=3 351 B9R1.69 O=C1CCC(Br)C(=O)N1 SY116515 [0,0,1,1,0,0|2,0,0]=4 352 B9R1.110 NC(C(=O)O)C1CCC1 SY097683 [0,0,1,1,0,0|1,0,1]=4 353 B9R1.112 N[C@@H](CC1CC1)C(=O)O SY035270 [0,0,1,1,0,0|1,0,1]=4 354 B9R1.112 N[C@H](CC1CC1)C(=O)O SY021328 [0,0,1,1,0,0|1,0,1]=4 355 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O SY040982 [0,0,1,1,0,0|2,0,0]=4 356 B9R2.39 O=C1NC2COC1C2 SY296805 [1,0,0,1,0,0|0,0,1]=3 357 B9R2.39 [C@@H]12C=C[C@@H](C1)C(=O)N2 SY096758 [1,0,0,1,0,0|1,0,0]=3 358 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O SY004961 [1,0,0,1,0,0|1,0,0]=3 359 B9R2.139 O=C1CCC2(CC2)N1 SY023744 [1,0,0,1,0,0|1,0,1]=4 360 B11R2.139 O=C1CC2CC(=O)CC2C1 SY045496 [0,0,0,1,0,1|2,0,0]=4 361 B11R2.139 O=C1CC2CC(=O)CC2C1 SY127922 [0,0,0,1,0,1|2,0,0]=4 362 B11R2.139 O=C1NC2NC(=O)NC2N1 SY051662 [0,0,0,1,0,1|2,0,0]=4 363 B11R2.47 O=C1NC2CCC1NC2=O SY023507 [0,0,0,1,0,1|1,0,0]=3 364 B7R0.16 CC(=O)C(C)C(C)=O SY048147 [0,0,1,0,1,0|1,0,0]=3 365 B7R0.16 CC(C(=O)O)C(=O)O SY006109 [0,0,1,0,1,0|1,0,0]=3 366 B7R0.16 O=C(O)C(F)C(=O)O SY157510 [0,0,1,0,1,0|2,0,0]=4 367 B7R1.10 O=C1C[C@@H](CO)N1 SY278869 [1,0,0,0,1,0|0,0,1]=3 368 B7R1.18 NC(=O)C1CCC1 SY026669 [1,0,0,0,1,0|1,0,1]=4 369 B7R1.18 O=C(O)C1CCN1 SY013679 [1,0,0,0,1,0|0,0,0]=2 370 B7R1.18 O=C(O)C1CCO1 SY033341 [1,0,0,0,1,0|1,0,0]=3 371 B7R1.18 O=C(O)C1CNC1 SY002050 [1,0,0,0,1,0|1,0,1]=4 372 B7R1.18 O=C(O)C1COC1 SY008837 [1,0,0,0,1,0|1,0,1]=4 373 B7R1.18 O=C(O)[C@@H]1CCN1 SY004809 [1,0,0,0,1,0|0,0,0]=2 374 B7R1.18 O=C(O)[C@@H]1CCO1 SY269134 [1,0,0,0,1,0|1,0,0]=3 375 B7R1.18 O=C(O)[C@H]1CCN1 SY077312 [1,0,0,0,1,0|0,0,0]=2 376 B7R1.12 CC1=CC1C(=O)O SY273475 [0,0,0,0,2,0|1,0,1]=4 377 B7R1.12 O=C(O)C1CC1F SY073271 [0,0,0,0,2,0|1,0,1]=4 378 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY069957 [0,0,0,0,2,0|1,0,1]=4 379 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY071317 [0,0,0,0,2,0|1,0,1]=4 380 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I SY263918 [0,0,0,0,2,0|1,0,1]=4 381 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SY071548 [0,0,0,0,2,0|1,0,1]=4 382 B7R1.12 O=C(O)[C@H]1C[C@H]1F SY071316 [0,0,0,0,2,0|1,0,1]=4 383 B7R1.12 O=C(O)[C@H]1C[C@H]1I SY245634 [0,0,0,0,2,0|1,0,1]=4 384 B9R0.4 CCCCC(N)CC(=O)O SY013375 [0,0,1,0,0,1|1,0,1]=4 385 B9R0.4 CSCC[C@@H](N)CC(=O)O SY254064 [0,0,1,0,0,1|2,0,0]=4 386 B9R0.55 CC(C)=CCCCC(=O)O SY253607 [0,0,1,0,0,1|2,0,0]=4 387 B9R1.2 O=C1CC(CO)CCN1 SY042203 [1,0,0,0,0,1|1,0,1]=4 388 B9R1.13 O=C(O)CC1CCNC1 SY096981 [1,0,0,0,0,1|2,0,0]=4 389 B9R1.13 O=C(O)CC1CCOC1 SY039684 [1,0,0,0,0,1|2,0,0]=4 390 B9R1.13 O=C(O)C[C@@H]1CCCN1 SY107247 [1,0,0,0,0,1|0,0,1]=3 391 B9R1.13 O=C(O)C[C@H]1CCCN1 SY056877 [1,0,0,0,0,1|0,0,1]=3 392 B9R1.13 O=C(O)C[C@H]1CCCN1 SY245644 [1,0,0,0,0,1|0,0,1]=3 393 B11R1.20 CC(=O)NC1CCC(=O)CC1 SY020514 [0,0,0,0,0,2|2,0,0]=4 394 B11R1.157 O=C(O)CN1CCNC(=O)C1 SY211895 [0,0,0,0,0,2|2,0,0]=4