0 B7R0.6 CC(=O)NNC(C)C F19849 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)ON=C(C)C F19954 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(C)=CCC(=O)O 24307 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.6 O=C(O)CCC(=O)O D85169 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.4 C=CCCC(=O)Cl F16765 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.4 CC(=O)CCC=O P17049 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.4 CC(C)CCC=O 31143 [1,0,0,0,0,0|0,0,2]=3 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|1,0,1]=3 13 B6R0.4 O=C(O)\C=C\CCl 11303 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.9 CC(C)CC\C(N)=N/O W10718 [0,1,0,0,0,0|1,0,2]=4 15 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,1,0,0,0,0|0,0,0]=1 16 B8R0.9 CN(C)CCC(=O)NN AC8035 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.9 O=C(O)CCC(=O)CBr P19462 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.9 O=C(O)CCC(=O)NO D83843 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [0,1,0,0,0,0|0,0,2]=3 21 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21181 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.29 C[Si](C)(C)C#CC(=O)O C75665 [0,1,0,0,0,0|0,1,2]=4 32 B8R1.3 CC1=CN=C(O)C=N1 84954 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,1,0,0|1,0,1]=3 40 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.23 CC(=O)N1CC(=O)C1 D96529 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.35 O=C(O)CNC1CC1 F14996 [0,0,0,1,0,0|1,0,1]=3 55 B8R1.35 O=C(O)CNC1CC1 W15242 [0,0,0,1,0,0|1,0,1]=3 56 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,0,0,1,0,0|0,0,2]=3 60 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,0,0,1,0,0|1,0,2]=4 61 B6R0.2 CC(=O)CC(=O)[O-] T70807 [0,0,0,0,1,0|1,0,1]=3 62 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,0,0,0,1,0|2,0,0]=3 63 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,0,0,0,1,0|2,0,0]=3 64 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,0,0,0,1,0|2,0,0]=3 65 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,0,0,0,1,0|2,0,0]=3 66 B6R0.2 CC(C)CC(N)=O C75541 [0,0,0,0,1,0|1,0,1]=3 67 B6R0.2 CC(C)NC(N)=O 44261 [0,0,0,0,1,0|2,0,1]=4 68 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,0,0,0,1,0|1,0,1]=3 69 B6R0.2 C[C@H](O)CN(C)C A11394 [0,0,0,0,1,0|2,0,1]=4 70 B6R0.2 NC(=O)CC(=O)O F20599 [0,0,0,0,1,0|2,0,0]=3 71 B8R0.28 CC(=O)NCCC(C)C S10520 [0,0,0,0,0,1|1,0,2]=4 72 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,0,0,0,0,1|1,0,1]=3 73 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,0,0,0,0,1|0,0,0]=1 74 B8R0.28 CC(C)=CCNC(=N)N D81045 [0,0,0,0,0,1|2,0,0]=3 75 B8R0.28 CC(C)CNCC(=O)O W10796 [0,0,0,0,0,1|0,0,2]=3 76 B5R0.1 C=CC[C@H](C)O 71459 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.1 C=CC[C@H](C)O A12634 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.1 CN(C)CC=O D88083 [2,0,0,0,0,0|1,0,0]=3 79 B5R0.1 CN(C)CCO D93012 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.1 C\C(I)=C/CI AC8880 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.1 C\C(I)=C\CI AC3855 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.1 O=C(O)\C=C\Br AC1121 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.1 O=C(O)\C=C\I W15430 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,1,0,0,0,0|0,0,2]=4 86 B7R0.2 CC[C@H](N)CC(=O)O 51922 [1,1,0,0,0,0|0,0,2]=4 87 B7R0.2 CC[C@H](N)CC(=O)O 52000 [1,1,0,0,0,0|0,0,2]=4 88 B7R0.2 CC[C@H](O)CC(=O)O C14017 [1,1,0,0,0,0|0,0,2]=4 89 B7R0.3 C=CCCC(=O)OC AT23749 [1,1,0,0,0,0|0,0,2]=4 90 B7R0.3 CNCCC(=O)OC AB11809 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.4 CCCOCC(=O)O AC1647 [1,1,0,0,0,0|0,0,2]=4 92 B7R0.4 COCCCC(=O)O 78063 [1,1,0,0,0,0|0,0,2]=4 93 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,1,0,0,0,0|0,0,1]=3 94 B7R0.4 NCCNCC(=O)O FD21628 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [1,1,0,0,0,0|0,0,2]=4 96 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,1,0,0,0,0|0,0,2]=4 97 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.5 COC[C@H](Br)C(=O)O C76037 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.9 C[N+](C)(C)CC(=O)O D85123 [0,1,0,0,1,0|1,0,0]=3 103 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,1,0,0,1,0|2,0,0]=4 104 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,1,0,0,1,0|0,0,1]=3 105 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,1,0,0,1,0|0,0,1]=3 106 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,1,0,0,1,0|1,0,1]=4 107 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,1,0,0,1,0|1,0,0]=3 108 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,1,0,0,1,0|1,0,0]=3 109 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,1,0,0,1,0|1,0,1]=4 110 B7R0.16 O=C(O)C(F)C(=O)O A51197 [0,1,0,0,1,0|2,0,0]=4 111 B7R0.16 O=C(O)C(O)C(=O)O H10518 [0,1,0,0,1,0|2,0,0]=4 112 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [0,1,0,0,0,1|1,0,1]=4 113 B9R0.1 O=C(O)CCNC(=O)CCl W18663 [0,1,0,0,0,1|1,0,1]=4 114 B9R0.7 C=C(C)C(=O)NCC(=O)O A12316 [0,1,0,0,0,1|0,0,1]=3 115 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,1,0,0,0,1|1,0,1]=4 116 B9R0.7 CC(C)C(=O)NCC(=O)O F20066 [0,1,0,0,0,1|0,0,1]=3 117 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O AC6938 [0,1,0,0,0,1|1,0,1]=4 118 B9R0.7 C[C@H](N)C(=O)NCC(=O)O A12756 [0,1,0,0,0,1|1,0,1]=4 119 B9R0.7 C[C@H](S)C(=O)NCC(=O)O C73708 [0,1,0,0,0,1|1,0,1]=4 120 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,1,0,0,0,1|1,0,1]=4 121 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,1,0,0,0,1|1,0,1]=4 122 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,1,0,0,0,1|0,0,2]=4 123 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O F12353 [0,2,0,0,0,0|0,0,2]=4 124 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O FD10188 [0,2,0,0,0,0|0,0,2]=4 125 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [0,2,0,0,0,0|0,0,2]=4 126 B9R0.24 COC(=O)CCC(=O)CBr D72688 [0,2,0,0,0,0|1,0,1]=4 127 B9R0.42 COC(=O)CC(=O)C(=O)O 78060 [0,2,0,0,0,0|2,0,0]=4 128 B9R0.42 COC(=O)C[C@H](C)C(=O)O C76592 [0,2,0,0,0,0|1,0,1]=4 129 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O T70135 [0,2,0,0,0,0|2,0,0]=4 130 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,2,0,0,0,0|0,0,2]=4 131 B9R0.48 CCNC(=S)NCC(=O)O W19340 [0,2,0,0,0,0|2,0,0]=4 132 B9R0.48 CCOC(=O)NCC(=O)O D76651 [0,2,0,0,0,0|2,0,0]=4 133 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,2,0,0,0,0|1,0,1]=4 134 B9R0.11 CC(=O)NC(C)(C)C(=O)O W18578 [0,2,0,0,0,0|2,0,0]=4 135 B9R0.11 CC(C)C[C@](C)(N)C(=O)O FD21918 [0,2,0,0,0,0|0,0,2]=4 136 B9R0.11 CN(C)S(=O)(=O)CC(=O)O F52056 [0,2,0,0,0,0|2,0,0]=4 137 B9R0.39 CC(C)\C=C(/C#N)C(=O)O C76434 [0,2,0,0,0,0|0,0,2]=4 138 B9R0.39 CC[C@H](NC(C)=O)C(=O)O 73327 [0,2,0,0,0,0|2,0,0]=4 139 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51152 [0,2,0,0,0,0|0,0,2]=4 140 B9R0.79 CC(C)C(O)C(N)C(=O)O 25811 [0,2,0,0,0,0|0,0,2]=4 141 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O 62256 [0,2,0,0,0,0|0,0,2]=4 142 B7R1.2 C=C1CCC(=O)O1 T71516 [1,0,0,1,0,0|0,0,2]=4 143 B7R1.2 CC1=CC(=O)CO1 Y10351 [1,0,0,1,0,0|1,0,1]=4 144 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.2 CC1=CN=C(N)O1 80158 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.2 CC1=CNC(=O)N1 O11257 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.2 CC1=CNC(=O)S1 C90545 [1,0,0,1,0,0|1,1,0]=4 148 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,1,0,0|0,0,2]=4 150 B7R1.2 O=C1CNC(=O)C1 76756 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.3 CC1=CCNCC1 A11257 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|0,0,2]=4 154 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|0,0,2]=4 155 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,1,0,0|0,0,2]=4 156 B7R1.18 O=C(O)C1COC1 81314 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.18 O=C(O)C1CSC1 P12604 [1,0,0,1,0,0|1,0,1]=4 158 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.16 CC1(C)CC(=O)C1 P13045 [0,0,0,1,1,0|1,0,1]=4 161 B7R1.16 CC1(C)CC(=O)N1 D72853 [0,0,0,1,1,0|1,0,1]=4 162 B9R1.35 CC(C)C1=NNC(=O)O1 AT18783 [0,0,0,1,0,1|1,0,1]=4 163 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,0,0,1,0,1|0,0,2]=4 164 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,0,0,1,0,1|1,0,1]=4 165 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,0,0,1,0,1|1,0,1]=4 166 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,0,0,1,0,1|1,0,1]=4 167 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,0,0,1,0,1|1,0,1]=4 168 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,0,0,1,0,1|1,0,1]=4 169 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,1,0,1|0,0,2]=4 170 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,1,0,1|0,0,2]=4 171 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,0,0,1,0,1|1,0,1]=4 172 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,0,0,1,0,1|1,0,1]=4 173 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,0,0,1,0,1|1,0,1]=4 174 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [0,0,0,1,0,1|1,0,1]=4 175 B9R1.53 CC1CC(CC(=O)O)C1 D79064 [0,0,0,1,0,1|0,0,2]=4 176 B9R1.53 O=C(O)CC1CC(=O)C1 P14795 [0,0,0,1,0,1|1,0,1]=4 177 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,0,0,1,0,1|0,0,2]=4 178 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.80 COC(=O)\C=C\C1CC1 89072 [0,1,0,1,0,0|0,0,2]=4 180 B9R1.82 COC(=O)C1CC(C)C1 84766 [0,1,0,1,0,0|0,0,2]=4 181 B9R1.84 O=C(O)CCC1CCC1 86885 [0,1,0,1,0,0|0,0,2]=4 182 B9R1.84 O=C(O)COC1CCC1 27934 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.84 O=C(O)COC1CNC1 P19012 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [0,1,0,1,0,0|0,0,2]=4 185 B9R1.86 CCC1CC1CC(=O)O D79896 [0,1,0,1,0,0|0,0,2]=4 186 B9R1.95 CCC1CC(C(=O)O)C1 20648 [0,1,0,1,0,0|0,0,2]=4 187 B9R1.95 COC1CC(C(=O)O)C1 P10644 [0,1,0,1,0,0|0,0,2]=4 188 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [0,1,0,1,0,0|0,0,2]=4 189 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [0,1,0,1,0,0|0,0,2]=4 190 B9R1.95 NCC1CC(C(=O)O)C1 86804 [0,1,0,1,0,0|0,0,2]=4 191 B9R1.95 O=C(O)C1CC(CBr)C1 D79069 [0,1,0,1,0,0|0,0,2]=4 192 B9R1.95 O=C(O)C1CC(CF)C1 D97099 [0,1,0,1,0,0|0,0,2]=4 193 B9R1.95 O=C(O)C1CC(CO)C1 70868 [0,1,0,1,0,0|0,0,2]=4 194 B9R1.38 CC1(C)OC(=O)C=C1O W17107 [0,1,0,1,0,0|0,0,2]=4 195 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,1,0,1,0,0|0,0,2]=4 196 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,1,0,1,0,0|0,0,2]=4 197 B9R1.152 C=C1CC(C)(C(=O)O)C1 83775 [0,1,0,1,0,0|0,0,2]=4 198 B9R1.152 C=C1CC(O)(C(=O)O)C1 P20125 [0,1,0,1,0,0|0,0,2]=4 199 B9R1.152 CC1(C(=O)O)CC(=O)C1 38840 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.164 CC1(C)C=C(C(=O)O)C1 37683 [0,1,0,1,0,0|0,0,2]=4 201 B9R1.164 CC1(C)CC(C(=O)O)C1 59979 [0,1,0,1,0,0|0,0,2]=4 202 B9R1.164 CC1(F)CC(C(=O)O)C1 P15017 [0,1,0,1,0,0|0,0,2]=4 203 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 91898 [0,1,0,1,0,0|0,0,2]=4 204 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 P13567 [0,1,0,1,0,0|0,0,2]=4 205 B9R2.145 O=C(O)C12CC(C1)C2 P12599 [0,0,0,2,0,0|0,0,2]=4 206 B9R2.143 O=C(O)[C@H]1CC12CC2 P10290 [0,0,0,2,0,0|0,0,2]=4 207 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,0,0,0,0,2|0,0,2]=4 208 B9R0.55 O=C(O)\C=C\CCC(=O)O S11920 [0,0,0,0,0,2|2,0,0]=4