0 B7R0.4 CC(=O)CCCCBr O11558 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CC(=O)OCCCBr C75766 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CCCOCC(=O)O AC1647 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.4 CCNCCC(N)=O AT24732 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 CNCCCC(N)=O 21232 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 COCCCC(=O)O 78063 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 C\C=C/C=C/C(=O)O D86563 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.4 NCCNCC(=O)O FD21628 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.4 O=C([O-])COCCO A11454 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.4 CC(=O)CCCBr 25631 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CC(=O)OCCN W11955 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 CCOCC(=O)O D73862 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.4 COC=CC(=O)O D97266 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.4 NC(=O)OCCO A11395 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 NCCCC(N)=O C72206 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 O=C(O)\C=C\CCl 11303 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.6 CC\C=C/CCI 98107 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,1,0,0,0,0|0,0,2]=3 20 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.6 CCCCCC(=O)CBr C73149 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.6 COC(=O)COCCO D84694 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.6 COC\C=C\C(=O)OC P17071 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.7 COCCNCC(=O)O W16095 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.7 NCCCCCC(=O)O P19609 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.7 NCCCCCC(N)=O AC6029 [0,1,0,0,0,0|1,0,2]=4 28 B8R0.7 O=C([O-])CCCCCO Y14708 [0,1,0,0,0,0|0,0,3]=4 29 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,1,0,0,0,0|0,0,2]=3 33 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.28 CC(=O)NCCC(C)C S10520 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.28 CC(C)CNCC(=O)O W10796 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,0,0,1,0,0|1,0,1]=3 39 B8R1.1 CCN1C=C(O)C=N1 AT11883 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.6 CCCC1CC(=O)C1 D96728 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.7 NC(=O)N1CCCC1 32811 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.7 O=C(O)C1=CN=NN1 28556 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.7 O=C(O)C1=CSN=C1 83094 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.7 O=C(O)C1=NNN=C1 O10789 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.7 O=C(O)C1=NSN=C1 F16493 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,0,0,1,0,0|1,0,1]=3 60 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,0,0,1,0,0|1,0,2]=4 66 B8R1.22 O=C1CCCCCN1 D94502 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.22 O=C1CCCCNC1 50109 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.22 O=C1COCCCN1 71169 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.22 O=C1OCCCCO1 D93115 [0,0,0,1,0,0|1,0,1]=3 70 B8R1.31 CC1NCC1C(=O)O P14366 [0,0,0,1,0,0|1,0,2]=4 71 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,0,0,1,0,0|1,0,1]=3 75 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.34 CC(=O)CC1CCC1 D79207 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.34 O=C(O)CC1CNC1 37024 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.34 O=C(O)CC1COC1 66388 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.34 O=C(O)CN1CCC1 55159 [0,0,0,1,0,0|1,0,1]=3 80 B8R1.34 O=[N+]([O-])C=C1COC1 32891 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.35 O=C(O)CNC1CC1 F14996 [0,0,0,1,0,0|1,0,1]=3 82 B8R1.35 O=C(O)CNC1CC1 W15242 [0,0,0,1,0,0|1,0,1]=3 83 B8R1.43 O=C(O)C1CC1CCl D85971 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [0,0,0,1,0,0|1,0,2]=4 85 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|1,0,1]=4 86 B5R0.1 O=C(O)\C=C\Br AC1121 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.1 O=C(O)\C=C\I W15430 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.2 C=CCCNC W16107 [2,0,0,0,0,0|1,0,1]=4 89 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|1,0,1]=4 90 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,1,0,0,0,0|0,0,1]=3 91 B7R0.2 CC[C@H](C)CC(C)=O A11862 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.2 CC[C@H](N)CC(=O)O 51922 [1,1,0,0,0,0|0,0,1]=3 93 B7R0.2 CC[C@H](N)CC(=O)O 52000 [1,1,0,0,0,0|0,0,1]=3 94 B7R0.2 CC[C@H](O)CC(=O)O C14017 [1,1,0,0,0,0|0,0,1]=3 95 B7R0.2 CO\C(C)=C/C(C)=O D93418 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.2 N[C@H](CO)CC(=O)O D95019 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.2 N[C@H](CO)CC(=O)O F14029 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.3 C=CC(=O)NCCC AB9941 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.3 CNCCC(=O)OC AB11809 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.3 COC(=O)CCCI F19766 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.3 COC(=O)\C=C\CCl AT12623 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.3 COC(=O)\C=C\CN AT20770 [1,1,0,0,0,0|1,0,0]=3 103 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,1,0,0,0,0|0,0,1]=3 104 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.5 COC[C@H](Br)C(=O)O C76037 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.5 NCC[C@H](F)C(=O)O D71941 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [1,1,0,0,0,0|1,0,1]=4 111 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [1,1,0,0,0,0|1,0,1]=4 112 B7R0.6 CC(C)=CCC(=O)O 24307 [1,1,0,0,0,0|0,0,2]=4 113 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,1,0,0,0,0|0,0,2]=4 115 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,1,0,0,0,0|1,0,1]=4 116 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [0,2,0,0,0,0|0,0,2]=4 117 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [0,2,0,0,0,0|0,0,2]=4 118 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [0,2,0,0,0,0|0,0,2]=4 119 B9R0.6 CCOC(=O)C(=O)C(C)=O C15077 [0,2,0,0,0,0|2,0,0]=4 120 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O F12353 [0,2,0,0,0,0|0,0,2]=4 121 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O FD10188 [0,2,0,0,0,0|0,0,2]=4 122 B9R0.34 CCC[C@H](N)CC(=O)OC N15478 [0,2,0,0,0,0|0,0,2]=4 123 B9R0.34 CCC[C@H](N)CC(=O)OC N16940 [0,2,0,0,0,0|0,0,2]=4 124 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [0,2,0,0,0,0|0,0,2]=4 125 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,2,0,0,0,0|0,0,2]=4 126 B9R0.58 CCC[C@](C)(O)CC(=O)O A10594 [0,2,0,0,0,0|0,0,2]=4 127 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,2,0,0,0,0|1,0,0]=3 129 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,2,0,0,0,0|1,0,0]=3 130 B9R0.46 CCNCCCC(=O)OC 72977 [0,2,0,0,0,0|0,0,2]=4 131 B9R0.46 COC(=O)CSCCCCl W12305 [0,2,0,0,0,0|1,0,1]=4 132 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,2,0,0,0,0|0,0,2]=4 133 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,2,0,0,0,0|0,0,2]=4 134 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,2,0,0,0,0|0,0,2]=4 135 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,2,0,0,0,0|0,0,2]=4 136 B9R0.2 C#CCCCCCC(=O)O AT11953 [0,2,0,0,0,0|0,0,2]=4 137 B9R0.2 C=CCCCCCC(=O)O I11997 [0,2,0,0,0,0|0,0,2]=4 138 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,2,0,0,0,0|0,0,0]=2 139 B9R0.2 COCCOCCC(=O)O C70448 [0,2,0,0,0,0|0,0,2]=4 140 B9R0.2 O=C(O)CNCCCCO 72467 [0,2,0,0,0,0|0,0,2]=4 141 B9R0.48 CCNC(=S)NCC(=O)O W19340 [0,2,0,0,0,0|1,0,1]=4 142 B9R0.48 CCOC(=O)NCC(=O)O D76651 [0,2,0,0,0,0|1,0,1]=4 143 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,2,0,0,0,0|1,0,1]=4 144 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,2,0,0,0,0|0,0,2]=4 145 B9R0.55 O=C(O)\C=C\CCC(=O)O S11920 [0,2,0,0,0,0|0,0,1]=3 146 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,2,0,0,0,0|1,0,0]=3 147 B9R0.13 CCCC[C@H](CC)C(=O)O 86085 [0,2,0,0,0,0|0,0,2]=4 148 B9R0.13 CCCC[C@H](CC)C(=O)O 86086 [0,2,0,0,0,0|0,0,2]=4 149 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,0,0,1,0,0|1,0,1]=4 150 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,1,0,0|0,0,0]=2 152 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|1,0,0]=3 155 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|1,0,0]=3 158 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [1,0,0,1,0,0|1,0,0]=3 159 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [1,0,0,1,0,0|1,0,0]=3 160 B7R1.3 O=C1C=CCCN1 88830 [1,0,0,1,0,0|1,0,0]=3 161 B7R1.3 O=C1C=CCOC1 O10790 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,1,0,0|0,1,1]=4 163 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|0,0,1]=3 165 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|0,0,1]=3 166 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.18 NC(=O)C1CCC1 20365 [1,0,0,1,0,0|1,0,1]=4 169 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,1,0,0|0,0,0]=2 170 B7R1.18 O=C(O)C1COC1 81314 [1,0,0,1,0,0|1,0,1]=4 171 B7R1.18 O=C(O)C1CSC1 P12604 [1,0,0,1,0,0|1,0,1]=4 172 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.20 O=C(Cl)CC1CC1 P19146 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [1,0,0,1,0,0|1,0,1]=4 175 B7R1.1 BrCC1=CCCC1 37275 [1,0,0,1,0,0|1,0,1]=4 176 B7R1.1 COC1=CCCC1 D93350 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,1,0,0|0,0,2]=4 178 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,1,0,0|0,0,0]=2 179 B7R1.1 O=CC1=CCCO1 D79895 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.6 N#CC=C1CCC1 P11568 [1,0,0,1,0,0|1,0,1]=4 181 B7R1.6 O=CCC1CCC1 55432 [1,0,0,1,0,0|0,0,2]=4 182 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.7 CCCC1=NC(I)=CN1 W16409 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,1,0,1,0,0|0,0,2]=4 185 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.7 CCOC1=CC(N)=NO1 31468 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.7 CCO[C@@H]1C=CC(=O)O1 91454 [0,1,0,1,0,0|0,0,0]=2 188 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,1,0,1,0,0|0,0,2]=4 189 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [0,1,0,1,0,0|0,0,2]=4 190 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [0,1,0,1,0,0|0,0,2]=4 191 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [0,1,0,1,0,0|0,0,2]=4 192 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [0,1,0,1,0,0|0,0,2]=4 193 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [0,1,0,1,0,0|0,0,2]=4 194 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [0,1,0,1,0,0|0,0,2]=4 195 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [0,1,0,1,0,0|0,0,2]=4 196 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [0,1,0,1,0,0|0,0,2]=4 197 B9R1.34 CC1=CC(Br)=CC(=O)O1 W11181 [0,1,0,1,0,0|0,0,2]=4 198 B9R1.34 CC1=CC(N)=CC(=O)O1 W11182 [0,1,0,1,0,0|0,0,2]=4 199 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,1,0,1,0,0|0,0,2]=4 200 B9R1.41 CC1=C(C(=O)O)CCO1 W15901 [0,1,0,1,0,0|1,0,0]=3 201 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [0,1,0,1,0,0|0,0,2]=4 202 B9R1.41 CN1N=CN=C1C(=O)O 72096 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.41 CN1N=NC=C1C(=O)O 27409 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [0,1,0,1,0,0|0,0,2]=4 205 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [0,1,0,1,0,0|0,0,2]=4 206 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [0,1,0,1,0,0|0,0,2]=4 207 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [0,1,0,1,0,0|0,0,2]=4 208 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [0,1,0,1,0,0|0,0,2]=4 209 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [0,1,0,1,0,0|1,0,1]=4 211 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [0,1,0,1,0,0|1,0,1]=4 212 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.41 OB(O)C1=C(Br)CCC1 83138 [0,1,0,1,0,0|1,0,1]=4 214 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,1,0,1,0,0|1,0,1]=4 215 B9R1.53 CC1CC(CC(=O)O)C1 D79064 [0,1,0,1,0,0|0,0,2]=4 216 B9R1.53 NC1CC(CC(=O)O)C1 38856 [0,1,0,1,0,0|0,0,2]=4 217 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 38857 [0,1,0,1,0,0|0,0,2]=4 218 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 38858 [0,1,0,1,0,0|0,0,2]=4 219 B9R1.59 CCOC1CC1C(=O)O C77470 [0,1,0,1,0,0|0,0,2]=4 220 B9R1.86 CCC1CC1CC(=O)O D79896 [0,1,0,1,0,0|0,0,2]=4 221 B9R1.171 NC1(CC(=O)O)CCC1 P17679 [0,1,0,1,0,0|0,0,2]=4 222 B9R1.171 O=C(O)CC1(O)CCC1 72507 [0,1,0,1,0,0|0,0,2]=4 223 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,1,0,1,0,0|1,0,1]=4 225 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.11 COC(=O)C1=CCSC1 T71209 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [0,1,0,1,0,0|1,0,1]=4 228 B9R1.11 O=C(CO)N1CCCC1 W15877 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [0,1,0,1,0,0|1,0,1]=4 230 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,1,0,1,0,0|1,0,1]=4 231 B9R1.79 COC(=O)CC1CCC1 20777 [0,1,0,1,0,0|0,0,2]=4 232 B9R1.80 COC(=O)C#CC1CC1 W15222 [0,1,0,1,0,0|0,0,2]=4 233 B9R1.80 COC(=O)\C=C\C1CC1 89072 [0,1,0,1,0,0|0,0,0]=2 234 B9R1.6 O=C(O)C1=CCNCC1 30668 [0,1,0,1,0,0|0,0,0]=2 235 B9R1.6 O=C(O)C1CCSCC1 24425 [0,1,0,1,0,0|0,0,2]=4 236 B9R1.6 O=C(O)C1SCCCS1 W18220 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,1,0,1,0,0|0,0,2]=4 238 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,1,0,1,0,0|0,0,2]=4 239 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [0,1,0,1,0,0|1,0,1]=4 240 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [0,1,0,1,0,0|1,0,1]=4 242 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [0,1,0,1,0,0|1,0,1]=4 243 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [0,1,0,1,0,0|1,0,1]=4 246 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [0,1,0,1,0,0|1,0,1]=4 248 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [0,1,0,1,0,0|1,0,1]=4 249 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [0,1,0,1,0,0|1,0,1]=4 251 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,1,0,1,0,0|0,0,2]=4 252 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [0,1,0,1,0,0|1,0,1]=4 253 B9R1.6 OB(O)C1=CCOCC1 C13966 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.84 O=C(O)CCC1CCC1 86885 [0,1,0,1,0,0|0,0,2]=4 255 B9R1.84 O=C(O)COC1CCC1 27934 [0,1,0,1,0,0|0,0,2]=4 256 B9R1.84 O=C(O)COC1CNC1 P19012 [0,1,0,1,0,0|1,0,1]=4 257 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [0,1,0,1,0,0|0,0,0]=2 258 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [0,1,0,1,0,0|0,0,2]=4 259 B9R1.35 CC(C)N1C=CC(O)=N1 79210 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,1,0,1,0,0|1,0,1]=4 262 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,1,0,1,0,0|0,0,2]=4 268 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,1,0,1,0,0|0,0,2]=4 269 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,1,0,1,0,0|0,0,2]=4 270 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,1,0,1,0,0|0,0,2]=4 271 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,1,0,1,0,0|1,0,1]=4 272 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,1,0,1,0,0|0,0,2]=4 273 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,1,0,1,0,0|0,0,2]=4 274 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,1,0,1,0,0|0,0,2]=4 275 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,1,0,1,0,0|0,0,2]=4 276 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,1,0,1,0,0|0,0,2]=4 278 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,1,0,1,0,0|1,0,1]=4 281 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,1,0,1,0,0|1,0,1]=4 282 B9R1.95 CCC1CC(C(=O)O)C1 20648 [0,1,0,1,0,0|0,0,2]=4 283 B9R1.110 N[C@H](C(=O)O)C1CCC1 67397 [0,1,0,1,0,0|0,0,2]=4 284 B9R1.110 N[C@H](C(=O)O)C1CCC1 67404 [0,1,0,1,0,0|0,0,2]=4 285 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,1,0,1,0,0|0,0,2]=4 286 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,1,0,1,0,0|0,0,2]=4 287 B9R1.112 O=C(O)C(=O)NC1CC1 W11568 [0,1,0,1,0,0|1,0,0]=3 288 B9R1.163 CC1(C(=O)O)CCCC1 D78698 [0,1,0,1,0,0|0,0,2]=4 289 B9R1.163 O=C(O)C1(F)CCCC1 85749 [0,1,0,1,0,0|0,0,2]=4 290 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,1,0,1,0,0|1,0,1]=4 291 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,0,0,2,0,0|1,0,1]=4 292 B9R2.139 O=C1NCC2(CC2)O1 AT13765 [0,0,0,2,0,0|1,0,1]=4 293 B9R2.143 O=C(O)[C@H]1CC12CC2 P10290 [0,0,0,2,0,0|0,0,2]=4