0 B7R0.6 CC(=O)NNC(C)C F19849 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 CC(=O)ON=C(C)C F19954 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(C)=CCC(=O)O 24307 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.6 O=C(O)CCC(=O)O D85169 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.4 C#CCOC(C)C 79308 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 C=C(C)CCCBr 71968 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 C=CCCC(=O)Cl F16765 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CC(=O)CCC=O P17049 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CC(=O)CCCBr 25631 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 CC(=O)OCCN W11955 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 CC(C)CCC=O 31143 [1,0,0,0,0,0|0,0,0]=1 16 B6R0.4 CC(C)OCCBr 33996 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CC(C)OCCN T71353 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CCOCC(=O)O D73862 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 COC=CC(=O)O D97266 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 NC(=O)OCCO A11395 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 NCCCC(N)=O C72206 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 O=C(O)\C=C\CCl 11303 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.4 O=C([O-])CNCO F20522 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.9 CC(C)CC\C(N)=N/O W10718 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.9 CC(C)NC[C@H](O)CO C16156 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,1,0,0,0,0|0,0,2]=3 28 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.9 CN(C)CCC(=O)NN AC8035 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.9 O=C(O)CCC(=O)CBr P19462 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.9 O=C(O)CCC(=O)NO D83843 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [0,1,0,0,0,0|0,0,2]=3 35 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,1,0,0,0,0|1,0,1]=3 36 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,1,0,0,0,0|0,0,0]=1 39 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,1,0,0,0,0|0,0,0]=1 42 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21181 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.29 CC(=O)ONC(C)(C)C 77604 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.29 CC(C)(N)CNC(N)=O 46044 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,1,0,0,0,0|0,0,0]=1 47 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.29 CC(C)COS(C)(=O)=O A12119 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.29 CN(C)CCC(C)(C)N C90168 [0,1,0,0,0,0|3,0,0]=4 50 B8R0.29 C[Si](C)(C)C#CC(=O)O C75665 [0,1,0,0,0,0|0,1,2]=4 51 B8R1.3 CC1CCC(O)CC1 D73186 [0,0,0,1,0,0|1,0,1]=3 52 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,1,0,0|1,0,1]=3 54 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,1,0,0|1,0,0]=2 55 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,0,0,1,0,0|1,0,1]=3 56 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,1,0,0|1,0,1]=3 65 B8R1.3 O=C1CCC(F)CC1 23163 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,0,1,0,0|1,0,0]=2 69 B8R1.3 O=C1NCC(O)CN1 D82915 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.3 OC1CCC(F)CC1 P13200 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.23 CC(C)N1CC(O)C1 37460 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,0,0,1,0,0|1,0,0]=2 73 B8R1.23 CN(C)C1CC(O)C1 P16011 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,0,0,1,0,0|1,0,0]=2 75 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,0,0,1,0,0|1,0,0]=2 76 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,0,0,1,0,0|1,0,0]=2 78 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,0,0,1,0,0|1,0,0]=2 80 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,0,0,1,0,0|1,0,0]=2 81 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,0,0,1,0,0|1,0,0]=2 82 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,0,0,1,0,0|1,0,0]=2 83 B8R1.23 O=C1CC(C(F)F)C1 W13841 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.35 O=C(O)CNC1CC1 F14996 [0,0,0,1,0,0|1,0,0]=2 87 B8R1.35 O=C(O)CNC1CC1 W15242 [0,0,0,1,0,0|1,0,0]=2 88 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,0,0|1,0,0]=2 90 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,0,0,1,0,0|1,0,0]=2 91 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,0,0,1,0,0|0,0,0]=1 92 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.51 CC1(C)CN=C(N)C1 D79278 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.51 CC1(C)COC(=O)C1 82056 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.51 CC1(C)COC(=O)N1 38028 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.51 CC1(C)COC(=S)N1 24281 [0,0,0,1,0,0|2,1,0]=4 98 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.51 C[C@H]1CCS(=O)(=O)O1 E70444 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.51 N[C@H]1CCS(=O)(=O)C1 C12856 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.51 O=S1(=O)CC[C@H](O)C1 F14685 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.77 O=C(O)C1CC1(F)Cl CS1218 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.77 O=C(O)[C@H]1CC1(F)F P15788 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.77 O=C(O)[C@H]1CC1(F)F P17160 [0,0,0,1,0,0|2,0,0]=3 105 B6R0.2 CC(=O)CC(=O)[O-] T70807 [0,0,0,0,1,0|1,0,2]=4 106 B6R0.2 CC(C)CC(N)=O C75541 [0,0,0,0,1,0|1,0,0]=2 107 B6R0.2 CC(C)NC(N)=O 44261 [0,0,0,0,1,0|2,0,0]=3 108 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,0,0,0,1,0|1,0,0]=2 109 B6R0.2 C[C@H](O)CN(C)C A11394 [0,0,0,0,1,0|2,0,1]=4 110 B6R0.2 NC(=O)CC(=O)O F20599 [0,0,0,0,1,0|2,0,1]=4 111 B8R0.28 CC(=O)NCCC(C)C S10520 [0,0,0,0,0,1|1,0,0]=2 112 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,0,0,0,0,1|1,0,1]=3 113 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,0,0,0,0,1|0,0,1]=2 114 B8R0.28 CC(C)CNCC(=O)O W10796 [0,0,0,0,0,1|0,0,0]=1 115 B5R0.1 C=CC[C@H](C)O 71459 [2,0,0,0,0,0|1,0,1]=4 116 B5R0.1 C=CC[C@H](C)O A12634 [2,0,0,0,0,0|1,0,1]=4 117 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.1 CN(C)CC=O D88083 [2,0,0,0,0,0|1,0,0]=3 120 B5R0.1 CN(C)CCO D93012 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|1,0,1]=4 122 B5R0.1 C[C@H](O)CCN 83616 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 C[S+](C)CCCl 77752 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 OCCC(F)F P18054 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.2 C#CCCC=O 89357 [2,0,0,0,0,0|0,0,2]=4 126 B5R0.2 C=CCCNC W16107 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.2 CCCCON 31644 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.2 COCCCO D77912 [2,0,0,0,0,0|1,0,1]=4 129 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|1,0,0]=3 130 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [1,1,0,0,0,0|1,0,0]=3 131 B7R0.2 CC(C)CN(C)N=O D93466 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,1,0,0,0,0|0,0,0]=2 133 B7R0.2 CC[C@H](C)CC(C)=O A11862 [1,1,0,0,0,0|1,0,0]=3 134 B7R0.2 CC[C@H](N)CC(=O)O 51922 [1,1,0,0,0,0|0,0,0]=2 135 B7R0.2 CC[C@H](N)CC(=O)O 52000 [1,1,0,0,0,0|0,0,0]=2 136 B7R0.2 CC[C@H](O)CC(=O)O C14017 [1,1,0,0,0,0|0,0,0]=2 137 B7R0.2 CN(C)C[C@H](O)CO D95190 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.2 N[C@H](CO)CC(=O)O D95019 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.2 N[C@H](CO)CC(=O)O F14029 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.3 C#CCCC(=O)OC AT21755 [1,1,0,0,0,0|0,0,2]=4 141 B7R0.3 C=CC(=O)NCCC AB9941 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.3 C=CCCC(=O)OC AT23749 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.3 CNCCC(=O)OC AB11809 [1,1,0,0,0,0|1,0,0]=3 144 B7R0.3 COC(=O)CCCI F19766 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.4 CC(=O)CCCCBr O11558 [1,1,0,0,0,0|1,0,0]=3 146 B7R0.4 CC(=O)OCCCBr C75766 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.4 CC(C)CCCCBr C74820 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.4 CCCNCC(C)C AC1640 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.4 CCCOCC(=O)O AC1647 [1,1,0,0,0,0|0,0,0]=2 150 B7R0.4 CCNCCC(N)=O AT24732 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.4 CNCCCC(N)=O 21232 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.4 COCCCC(=O)O 78063 [1,1,0,0,0,0|0,0,0]=2 153 B7R0.4 NCCNCC(=O)O FD21628 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.4 O=C([O-])COCCO A11454 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [1,1,0,0,0,0|0,0,2]=4 156 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [1,1,0,0,0,0|0,0,2]=4 157 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [1,1,0,0,0,0|0,0,2]=4 158 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.5 CC(C)[C@@H](O)CCN 83602 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,1,0,0,0,0|0,0,0]=2 161 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.5 COC[C@H](Br)C(=O)O C76037 [1,1,0,0,0,0|1,0,0]=3 163 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [1,1,0,0,0,0|1,0,0]=3 164 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.5 NCC[C@H](F)C(=O)O D71941 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.8 CC(C)(O)CCCN 31824 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.8 CC(C)(O)CCCO AB7595 [1,1,0,0,0,0|0,0,1]=3 171 B7R0.8 CNCCS(=O)(=O)O A10810 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.8 O=P(O)(O)CCCBr T70133 [1,1,0,0,0,0|2,0,0]=4 173 B7R0.9 CC(C)(C)CB(O)O C10943 [0,1,0,0,1,0|1,0,1]=4 174 B7R0.9 C[N+](C)(C)CC(=O)O D85123 [0,1,0,0,1,0|1,0,0]=3 175 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,1,0,0,1,0|0,0,0]=2 176 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,1,0,0,1,0|0,0,0]=2 177 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,1,0,0,1,0|1,0,0]=3 178 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,1,0,0,1,0|1,0,0]=3 179 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,1,0,0,1,0|1,0,0]=3 180 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,1,0,0,1,0|1,0,0]=3 181 B9R0.1 CC(C)CCC[C@H](C)CO A11755 [0,1,0,0,0,1|1,0,1]=4 182 B9R0.1 CN(CCCC(=O)O)N=O D93527 [0,1,0,0,0,1|2,0,0]=4 183 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [0,1,0,0,0,1|1,0,1]=4 184 B9R0.1 O=C(O)CCNC(=O)CCl W18663 [0,1,0,0,0,1|1,0,1]=4 185 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,1,0,0,0,1|1,0,1]=4 186 B9R0.7 CC(C)C(=O)NCC(=O)O F20066 [0,1,0,0,0,1|0,0,1]=3 187 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,1,0,0,0,1|0,0,1]=3 188 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O AC6938 [0,1,0,0,0,1|1,0,1]=4 189 B9R0.7 C[C@H](N)C(=O)NCC(=O)O A12756 [0,1,0,0,0,1|1,0,1]=4 190 B9R0.7 C[C@H](S)C(=O)NCC(=O)O C73708 [0,1,0,0,0,1|1,0,1]=4 191 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,1,0,0,0,1|1,0,0]=3 192 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,1,0,0,0,1|1,0,0]=3 193 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,1,0,0,0,1|0,0,0]=2 194 B9R0.56 CC(=O)OCC[N+](C)(C)C C74167 [0,1,0,0,0,1|2,0,0]=4 195 B9R0.56 CC(=O)SCC[Si](C)(C)C 74845 [0,1,0,0,0,1|1,1,0]=4 196 B9R0.56 O=C(O)CCCC(F)(F)F FD15007 [0,1,0,0,0,1|2,0,0]=4 197 B9R0.23 C=C(CC(C)C)C(=O)OC W19515 [0,2,0,0,0,0|0,0,1]=3 198 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O F12353 [0,2,0,0,0,0|0,0,0]=2 199 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O FD10188 [0,2,0,0,0,0|0,0,0]=2 200 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [0,2,0,0,0,0|0,0,1]=3 201 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [0,2,0,0,0,0|0,0,0]=2 202 B9R0.24 CCC(C)CCC(C)CO D93170 [0,2,0,0,0,0|1,0,1]=4 203 B9R0.24 COC(=O)CCC(=O)CBr D72688 [0,2,0,0,0,0|1,0,1]=4 204 B9R0.42 COC(=O)C[C@H](C)C(=O)O C76592 [0,2,0,0,0,0|1,0,1]=4 205 B9R0.43 CCC(CC)COC(=O)Cl S11052 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.43 CCC(CO)CCC(C)O D97248 [0,2,0,0,0,0|1,0,1]=4 207 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,2,0,0,0,0|0,0,2]=4 208 B9R0.48 CC(C)CNC(=O)CCN D86301 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.48 CCOC(=O)OCC(C)C A12452 [0,2,0,0,0,0|1,0,0]=3 211 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F 91663 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.10 O=C(O)C[C@H](O)C(F)(F)F AC1153 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.11 CC(C)C[C@](C)(N)C(=O)O FD21918 [0,2,0,0,0,0|0,0,0]=2 214 B9R0.11 CN(C)S(=O)(=O)CC(=O)O F52056 [0,2,0,0,0,0|2,0,0]=4 215 B9R0.39 CC(C)\C=C(/C#N)C(=O)O C76434 [0,2,0,0,0,0|0,0,2]=4 216 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51152 [0,2,0,0,0,0|0,0,0]=2 217 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O F20568 [0,2,0,0,0,0|2,0,0]=4 218 B9R0.57 O=C(O)[C@@H](O)CC(F)(F)F AB10170 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.79 CC(C)C(O)C(N)C(=O)O 25811 [0,2,0,0,0,0|0,0,0]=2 220 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O 62256 [0,2,0,0,0,0|0,0,0]=2 221 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O AB11505 [0,2,0,0,0,0|1,0,0]=3 222 B7R1.2 C=C1CCC(=O)O1 T71516 [1,0,0,1,0,0|0,0,2]=4 223 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|1,0,0]=3 224 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,1,0,0|0,0,2]=4 227 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|1,0,0]=3 229 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|1,0,0]=3 230 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.2 NC1CCC(O)C1 21055 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.2 NC1CCC(O)C1 26425 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [1,0,0,1,0,0|1,0,1]=4 238 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [1,0,0,1,0,0|1,0,1]=4 239 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [1,0,0,1,0,0|1,0,1]=4 240 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [1,0,0,1,0,0|1,0,1]=4 241 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [1,0,0,1,0,0|1,0,1]=4 246 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [1,0,0,1,0,0|1,0,1]=4 247 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [1,0,0,1,0,0|1,0,1]=4 248 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [1,0,0,1,0,0|1,0,1]=4 251 B7R1.3 C[C@H]1CCCNC1 36405 [1,0,0,1,0,0|1,0,1]=4 252 B7R1.3 C[C@H]1COCCN1 72593 [1,0,0,1,0,0|1,0,1]=4 253 B7R1.3 N[C@H]1CCCOC1 F10442 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,1,0,0|0,1,0]=3 255 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.3 O=C1CSCCN1 23643 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.3 O[C@H]1CCCOC1 P10754 [1,0,0,1,0,0|1,0,1]=4 258 B7R1.3 O[C@H]1CCCOC1 P10755 [1,0,0,1,0,0|1,0,1]=4 259 B7R1.7 C=CCC[C@H]1CO1 61994 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.7 OCCCC1CC1 F52480 [1,0,0,1,0,0|0,0,1]=3 261 B7R1.10 CC1CC(CN)C1 72944 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.10 CN1CC(CO)C1 P17862 [1,0,0,1,0,0|1,0,1]=4 263 B7R1.10 CNC1CC(C)C1 72947 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.10 COC1CC(=O)C1 P12741 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [1,0,0,1,0,0|1,0,1]=4 266 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.10 O=C1CC(CBr)C1 39031 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.10 O=C1CC(CCl)C1 P11243 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.10 O=C1C[C@H](CO)N1 P17668 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.10 OCC1CC(F)C1 72453 [1,0,0,1,0,0|1,0,1]=4 272 B7R1.10 OCC1CC(O)C1 N10548 [1,0,0,1,0,0|1,0,1]=4 273 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|0,0,0]=2 274 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|0,0,0]=2 275 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [1,0,0,1,0,0|1,0,0]=3 276 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.14 CC1(C)CCCN1 71736 [1,0,0,1,0,0|1,0,1]=4 278 B7R1.14 CC1(C)CCCN1 71895 [1,0,0,1,0,0|1,0,1]=4 279 B7R1.14 CC1(C)CCNC1 28371 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [1,0,0,1,0,0|1,0,1]=4 281 B7R1.18 CC(=O)C1COC1 79962 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.18 CC(C)C1CNC1 D79219 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.18 NC(=O)C1CCC1 20365 [1,0,0,1,0,0|1,0,0]=3 284 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,1,0,0|0,0,2]=4 287 B7R1.18 O=C(O)C1COC1 81314 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.18 O=C(O)C1CSC1 P12604 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.18 O=[N+]([O-])C1CCC1 30647 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.20 C[C@H](O)CC1CC1 79072 [1,0,0,1,0,0|1,0,1]=4 292 B7R1.20 O=C(Cl)CC1CC1 P19146 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.16 CC1(C)CC(=O)C1 P13045 [0,0,0,1,1,0|1,0,0]=3 295 B7R1.16 CC1(C)CC(=O)N1 D72853 [0,0,0,1,1,0|1,0,0]=3 296 B7R1.16 CC1(C)CC(O)C1 P16551 [0,0,0,1,1,0|1,0,1]=4 297 B7R1.16 CC1(N)CC(=O)C1 P17533 [0,0,0,1,1,0|2,0,0]=4 298 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,0,0,1,0,1|2,0,0]=4 299 B9R1.35 CC(C)C1=NNC(=O)O1 AT18783 [0,0,0,1,0,1|1,0,1]=4 300 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [0,0,0,1,0,1|1,0,0]=3 301 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 60171 [0,0,0,1,0,1|1,1,0]=4 302 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,0,0,1,0,1|1,0,0]=3 303 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,0,0,1,0,1|1,0,0]=3 304 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,1,0,1|0,0,0]=2 305 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,1,0,1|0,0,0]=2 306 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,0,0,1,0,1|1,0,0]=3 307 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,0,0,1,0,1|1,0,0]=3 308 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 D93157 [0,0,0,1,0,1|2,0,0]=4 309 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,0,0,1,0,1|1,0,1]=4 310 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,0,0,1,0,1|1,0,1]=4 311 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,0,0,1,0,1|1,0,0]=3 312 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,0,0,1,0,1|1,0,0]=3 313 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,0,0,1,0,1|1,0,0]=3 314 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,0,0,1,0,1|1,0,0]=3 315 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,0,0,1,0,1|1,0,0]=3 316 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,0,0,1,0,1|1,0,0]=3 317 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,0,0,1,0,1|1,0,0]=3 318 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,0,0,1,0,1|1,0,0]=3 319 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,0,0,1,0,1|1,0,0]=3 320 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,0,0,1,0,1|1,0,0]=3 321 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,0,0,1,0,1|1,0,0]=3 322 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,0,0,1,0,1|1,0,1]=4 323 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [0,0,0,1,0,1|1,0,1]=4 324 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,1,0,1|2,0,0]=4 325 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,0,0,1,0,1|2,0,0]=4 326 B9R1.53 CC(=O)NC1CC(N)C1 P11362 [0,0,0,1,0,1|2,0,0]=4 327 B9R1.53 CC(=O)NC1CC(N)C1 P18507 [0,0,0,1,0,1|2,0,0]=4 328 B9R1.53 CC1CC(CC(=O)O)C1 D79064 [0,0,0,1,0,1|0,0,0]=2 329 B9R1.53 NC1CC(CC(=O)O)C1 38856 [0,0,0,1,0,1|1,0,0]=3 330 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 38857 [0,0,0,1,0,1|1,0,0]=3 331 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 38858 [0,0,0,1,0,1|1,0,0]=3 332 B9R1.53 O=C(O)CC1CC(=O)C1 P14795 [0,0,0,1,0,1|1,0,1]=4 333 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,0,0,1,0,1|1,0,0]=3 334 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,0,0,1,0,1|1,0,0]=3 335 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10992 [0,0,0,1,0,1|1,0,1]=4 336 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [0,0,0,1,0,1|1,0,1]=4 337 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,0,0,1,0,1|0,0,0]=2 338 B9R1.170 O=C(O)C[C@H]1CC1(F)F P15938 [0,0,0,1,0,1|2,0,0]=4 339 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.1 CC1CCC(CO)NC1 73032 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.1 CN1CC=C(CO)CC1 AC1022 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.1 CON1CCC(=O)CC1 92073 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.1 CO[C@H]1CC[C@H](O)CC1 D84292 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.1 NCC1CCC(=O)CC1 56684 [0,1,0,1,0,0|1,0,0]=3 349 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,1,0,1,0,0|1,0,0]=3 350 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,1,0,1,0,0|1,0,0]=3 354 B9R1.1 O=C1CN[C@@H](CF)CN1 D97270 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.1 O=CC1CCC(=O)CC1 C77323 [0,1,0,1,0,0|1,0,1]=4 359 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.10 CC1(C)CNC(=O)CN1 P16103 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [0,1,0,1,0,0|1,0,0]=3 363 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 P14556 [0,1,0,1,0,0|1,0,1]=4 364 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 38877 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 P15459 [0,1,0,1,0,0|1,0,1]=4 366 B9R1.10 O=C1CCC(F)(F)CN1 P12393 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,1,0,0|1,0,1]=4 369 B9R1.69 CN1C[C@@H](N)CCC1=O 32330 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.69 CN1C[C@@H](N)CCC1=O 37583 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10820 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17891 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17892 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.80 COC(=O)C#CC1CC1 W15222 [0,1,0,1,0,0|0,0,2]=4 376 B9R1.80 COC(=O)\C=C\C1CC1 89072 [0,1,0,1,0,0|0,0,2]=4 377 B9R1.82 COC(=O)C1CC(Br)C1 38009 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.82 COC(=O)C1CC(C)C1 84766 [0,1,0,1,0,0|0,0,0]=2 379 B9R1.82 COC(=O)C1CC(F)C1 P19700 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.82 COC(=O)C1CC(N)C1 FD7142 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 38534 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.84 O=C(O)CCC1CCC1 86885 [0,1,0,1,0,0|0,0,0]=2 383 B9R1.84 O=C(O)COC1CCC1 27934 [0,1,0,1,0,0|1,0,0]=3 384 B9R1.84 O=C(O)COC1CNC1 P19012 [0,1,0,1,0,0|1,0,0]=3 385 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [0,1,0,1,0,0|0,0,2]=4 386 B9R1.84 O=C([O-])CCN1CCC1 F50895 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.86 CCC1CC1CC(=O)O D79896 [0,1,0,1,0,0|0,0,0]=2 388 B9R1.95 CC(=O)N1CC(CO)C1 21091 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.95 CCC1CC(C(=O)O)C1 20648 [0,1,0,1,0,0|0,0,0]=2 390 B9R1.95 COC1CC(C(=O)O)C1 P10644 [0,1,0,1,0,0|0,0,0]=2 391 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [0,1,0,1,0,0|0,0,0]=2 392 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [0,1,0,1,0,0|0,0,0]=2 393 B9R1.95 NCC1CC(C(=O)O)C1 86804 [0,1,0,1,0,0|0,0,0]=2 394 B9R1.95 O=C(O)C1CC(CBr)C1 D79069 [0,1,0,1,0,0|0,0,0]=2 395 B9R1.95 O=C(O)C1CC(CF)C1 D97099 [0,1,0,1,0,0|0,0,0]=2 396 B9R1.95 O=C(O)C1CC(CO)C1 70868 [0,1,0,1,0,0|0,0,0]=2 397 B9R1.133 CC1(C)CC[C@H](CO)O1 72662 [0,1,0,1,0,0|0,0,2]=4 398 B9R1.133 CC1(C)CC[C@H](CO)O1 93336 [0,1,0,1,0,0|0,0,2]=4 399 B9R1.133 CC1(C)OC[C@@H](C=O)O1 30986 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.133 NC[C@H]1CCS(=O)(=O)C1 P19122 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.133 O=S1(=O)CC[C@H](CO)C1 AT13046 [0,1,0,1,0,0|1,0,1]=4 402 B9R1.147 CC1(CCC(=O)O)N=N1 W17592 [0,1,0,1,0,0|1,0,0]=3 403 B9R1.38 CC1(C)OC(=O)C=C1O W17107 [0,1,0,1,0,0|0,0,2]=4 404 B9R1.112 NC(=O)[C@@H](N)CC1CC1 P18029 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,1,0,1,0,0|0,0,0]=2 406 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,1,0,1,0,0|0,0,0]=2 407 B9R1.112 O=C(O)C(=O)NC1CC1 W11568 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.152 C=C1CC(C)(C(=O)O)C1 83775 [0,1,0,1,0,0|0,0,2]=4 409 B9R1.152 C=C1CC(O)(C(=O)O)C1 P20125 [0,1,0,1,0,0|0,0,2]=4 410 B9R1.152 CC1(C(=O)O)CC(=O)C1 38840 [0,1,0,1,0,0|1,0,1]=4 411 B9R1.152 NC1(C(=O)O)CC(F)C1 P12535 [0,1,0,1,0,0|1,0,0]=3 412 B9R1.164 CC(=O)C1CC(F)(F)C1 P15881 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.164 CC1(C)C=C(C(=O)O)C1 37683 [0,1,0,1,0,0|0,0,1]=3 414 B9R1.164 CC1(C)CC(C(=O)O)C1 59979 [0,1,0,1,0,0|0,0,0]=2 415 B9R1.164 CC1(F)CC(C(=O)O)C1 P15017 [0,1,0,1,0,0|0,0,0]=2 416 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 91898 [0,1,0,1,0,0|0,0,0]=2 417 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 P13567 [0,1,0,1,0,0|0,0,0]=2 418 B9R1.51 CC(C)(C)C1CC(=O)C1 P17616 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.146 CC1(C)CCC(C)(C)O1 D92900 [0,1,0,1,0,0|1,0,1]=4 420 B9R2.41 O=C1CC(C2CC2)C1 33761 [0,0,0,2,0,0|1,0,0]=3 421 B9R2.145 O=C(O)C12CC(C1)C2 P12599 [0,0,0,2,0,0|0,0,0]=2 422 B9R2.139 O=C1CC2(CC2)CO1 P17493 [0,0,0,2,0,0|2,0,0]=4 423 B9R2.139 O=C1CCC2(CC2)N1 80157 [0,0,0,2,0,0|1,0,0]=3 424 B9R2.139 O=C1NCC2(CC2)O1 AT13765 [0,0,0,2,0,0|1,0,0]=3 425 B9R2.143 O=C(O)[C@H]1CC12CC2 P10290 [0,0,0,2,0,0|0,0,0]=2 426 B5R0.5 CC(=O)[C@H](C)N D76571 [0,0,0,0,2,0|2,0,0]=4 427 B5R0.5 C[C@H](N)C(N)=O 25148 [0,0,0,0,2,0|2,0,0]=4 428 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,0,0,0,0,2|0,0,0]=2