0 B7R0.6 C=C(Cl)CSC(C)=O C6230 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)CNC(C)=O X41261 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 CC(=O)NN=C(C)C A66607 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 CC(=O)NNC(C)C P40426 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(C)=NNC(N)=O P39156 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 CN(C)CCC(=O)O D41335 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.6 CN(C)\C=C\[N+](=O)[O-] D5271 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 NC(=O)CCC(=O)O A63078 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 O=C(O)CCC(F)F D59737 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 O=C([O-])\C=C\C(=O)[O-] F60742 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.4 C#CCCC(=O)O P68088 [1,0,0,0,0,0|0,0,3]=4 13 B6R0.4 C=CCCC(=O)O P37823 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.4 C=CCCC(N)=O P5022 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CC(C)=CCCBr B0351 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.4 CC(C)CCCO M67872 [1,0,0,0,0,0|0,0,3]=4 20 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|0,0,3]=4 21 B6R0.4 CN(C)\C=C\C=O D36904 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.4 COC=CC(C)=O M41222 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.4 N#CCCC(=O)O C69146 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 O=C(O)\C=C\CBr B37272 [1,0,0,0,0,0|1,0,2]=4 29 B8R0.9 COC(=O)CCC(=O)Cl C6883 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.9 COC(=O)CCC(=O)O M37827 [0,1,0,0,0,0|1,0,1]=3 31 B8R0.9 COC(=O)NCC(=O)O M40229 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,1,0,0,0,0|0,0,2]=3 38 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,1,0,0,0,0|0,0,2]=3 39 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,1,0,0,0,0|0,0,2]=3 41 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,1,0,0,0,0|0,0,2]=3 42 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,0,0|0,0,2]=3 43 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,0,0|0,0,2]=3 44 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,0,0|0,0,2]=3 45 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.29 CS(=O)(=O)CCC(=O)O M40261 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.29 C[Si](C)(C)C#CC(=O)O T41467 [0,1,0,0,0,0|0,1,2]=4 53 B8R1.3 CC1=CN=C(O)C=C1 M63706 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,0,0,1,0,0|1,0,2]=4 55 B8R1.3 CC1=CNC(=O)C=N1 M68091 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.3 CC1=NC=C(O)C=C1 H4553 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.3 O=C1CNC(=O)CN1 P61806 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,0,0,1,0,0|0,0,2]=3 70 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,1,0,0|0,0,2]=3 71 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,0,0,1,0,0|1,0,1]=3 72 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,1,0,0|0,0,2]=3 73 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,1,0,0|0,0,2]=3 74 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,0,0,1,0,0|1,0,2]=4 81 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,0,0,1,0,0|1,0,2]=4 85 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,0,0,1,0,0|1,0,1]=3 88 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,0,0,1,0,0|0,0,2]=3 90 B8R1.51 C=C1COC(C)(C)O1 D8451 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,0,0,1,0,0|1,0,2]=4 92 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,0,0|0,0,2]=3 93 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,0|0,0,2]=3 94 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,0|0,0,2]=3 95 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,0,0,1,0,0|1,0,2]=4 96 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,0,0,1,0|2,0,0]=3 97 B6R0.2 CC(=O)NC(C)C P40402 [0,0,0,0,1,0|2,0,1]=4 98 B6R0.2 CC(C)=CB(O)O D3007 [0,0,0,0,1,0|1,0,1]=3 99 B6R0.2 CC(C)CB(O)O M4460 [0,0,0,0,1,0|1,0,2]=4 100 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,0,0,1,0|2,0,0]=3 101 B6R0.2 CN(C)CC(N)=S D69472 [0,0,0,0,1,0|2,1,0]=4 102 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,0,0,1,0|1,0,1]=3 103 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,0,0,1,0|1,0,1]=3 104 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,0,0,1,0|1,0,2]=4 105 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,0,0,1,0|1,0,1]=3 106 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,0,0,1,0|1,0,1]=3 107 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,0,0,1,0|1,0,2]=4 108 B6R0.2 N=C(N)CC(N)=O M69124 [0,0,0,0,1,0|3,0,0]=4 109 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,1|1,0,0]=2 110 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,0,0,0,0,1|1,0,1]=3 111 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,0,0,0,0,1|1,0,1]=3 112 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,0,0,0,0,1|3,0,0]=4 113 B8R0.28 CN(C)CCCC(=O)O D43497 [0,0,0,0,0,1|1,0,1]=3 114 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,0,0,0,0,1|1,0,1]=3 115 B5R0.1 C#CCC(=O)O B38084 [2,0,0,0,0,0|0,0,2]=4 116 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|1,0,1]=4 117 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|0,0,2]=4 118 B5R0.1 CC(C)\C=N\O I2624 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.1 CN(C)CC=O D39943 [2,0,0,0,0,0|1,0,0]=3 120 B5R0.1 CN(C)NC=O D66358 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.1 NOCC(=O)O C40302 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 O=C(O)\C=C\Br B9431 [2,0,0,0,0,0|1,0,0]=3 126 B7R0.2 CC(C=O)=CN(C)C D41498 [1,1,0,0,0,0|1,0,1]=4 127 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|0,0,2]=4 129 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|0,0,2]=4 130 B7R0.2 COC(=O)CC(=O)Cl M40174 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.2 COC(=O)CC(=O)O M37882 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.2 COC(=O)CC(=O)[O-] P67199 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.3 CNCCC(=O)OC M40412 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.3 COC(=O)CNC=O M40228 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.3 COC=CC(=O)OC M39186 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.3 CO\C=C\C(=O)OC M41228 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|0,0,2]=4 138 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|0,0,2]=4 139 B7R0.4 CCOC=CC(=O)O E41226 [1,1,0,0,0,0|0,0,2]=4 140 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|0,0,2]=4 141 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|0,0,2]=4 142 B7R0.4 COC\C=C\C(=O)O M63576 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|0,0,2]=4 145 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|0,0,2]=4 146 B7R0.4 O=C(O)CNCCO H40270 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.4 O=C(O)COCCCl C40236 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [1,1,0,0,0,0|0,0,2]=4 149 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [1,1,0,0,0,0|0,0,2]=4 150 B7R0.5 CCC=C(C)C(=O)O M39198 [1,1,0,0,0,0|0,0,2]=4 151 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,1,0,0,0,0|0,0,2]=4 152 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,1,0,0,0,0|0,0,2]=4 153 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,1,0,0,0,0|0,0,2]=4 154 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,1,0,0,1,0|0,0,1]=3 160 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,1,0,0,1,0|0,0,2]=4 161 B7R0.9 CS(=O)(=O)CC(=O)O M37911 [0,1,0,0,1,0|2,0,0]=4 162 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,1,0,0,1,0|0,0,2]=4 163 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,0,0,1,0|0,0,1]=3 164 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,0,0,1,0|0,0,1]=3 165 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,1,0,0,1,0|1,0,1]=4 166 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,0,0,1,0|0,0,1]=3 167 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,1,0,0,1,0|1,0,1]=4 168 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,1,0,0,1,0|1,0,1]=4 169 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,1,0,0,1,0|1,0,1]=4 170 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,1,0,0,0,1|0,0,2]=4 171 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,1,0,0,0,1|1,0,1]=4 172 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,1,0,0,0,1|1,0,1]=4 173 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [0,1,0,0,0,1|1,0,1]=4 174 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,1,0,0,0,1|1,0,1]=4 175 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,1,0,0,0,1|0,0,2]=4 176 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O C41218 [0,1,0,0,0,1|1,0,1]=4 177 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,1,0,0,0,1|0,0,2]=4 178 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,1,0,0,0,1|0,0,2]=4 179 B9R0.23 COC(=O)[C@@H](C)NC(C)=O M41515 [0,2,0,0,0,0|2,0,0]=4 180 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A36981 [0,2,0,0,0,0|1,0,1]=4 181 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [0,2,0,0,0,0|0,0,2]=4 182 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [0,2,0,0,0,0|0,0,2]=4 183 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [0,2,0,0,0,0|0,0,2]=4 184 B9R0.24 COC(=O)CCC(=O)CN M68150 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.42 COC(=O)C[C@@H](C)C(=O)O M41477 [0,2,0,0,0,0|1,0,1]=4 186 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [0,2,0,0,0,0|1,0,1]=4 188 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,2,0,0,0,0|0,0,2]=4 189 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,2,0,0,0,0|2,0,0]=4 191 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,2,0,0,0,0|1,0,1]=4 192 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,2,0,0,0,0|1,0,1]=4 193 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A43930 [0,2,0,0,0,0|0,0,2]=4 194 B9R0.11 CN(C)S(=O)(=O)CC(=O)O D62565 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.39 CC(C)C=C(C#N)C(=O)O C46405 [0,2,0,0,0,0|0,0,2]=4 196 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [0,2,0,0,0,0|0,0,2]=4 197 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [0,2,0,0,0,0|0,0,2]=4 198 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O A41513 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,2,0,0,0,0|0,0,2]=4 200 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,2,0,0,0,0|0,0,2]=4 201 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|0,0,2]=4 202 B7R1.2 CC1=CC(=O)CO1 M41117 [1,0,0,1,0,0|1,0,1]=4 203 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,1,0,0|1,0,1]=4 204 B7R1.2 CC1=NNC(=O)C1 M68628 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.2 CC1=NNC(=O)O1 M39837 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.2 O=C1CC(O)=CO1 H1405 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.2 O=C1CNC(=O)O1 X68377 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.3 CC1=CCCNC1 M12102 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.3 CC1=CCNCC1 M26826 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|0,0,2]=4 214 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|0,0,2]=4 215 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|0,0,2]=4 216 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|0,0,2]=4 217 B7R1.17 CC1(C)CCC1=O D60316 [1,0,0,1,0,0|0,0,2]=4 218 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|0,0,2]=4 219 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,1,0,0|1,0,1]=4 220 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|0,0,2]=4 229 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [0,0,0,1,0,1|0,0,2]=4 230 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [0,0,0,1,0,1|0,0,2]=4 231 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,0,0,1,0,1|1,0,1]=4 232 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,0,0,1,0,1|1,0,1]=4 233 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,0,0,1,0,1|1,0,1]=4 234 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [0,0,0,1,0,1|1,0,1]=4 235 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,0,0,1,0,1|1,0,1]=4 236 B9R1.35 CC1=NC(C(=O)O)=CN1 M19958 [0,0,0,1,0,1|1,0,1]=4 237 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [0,0,0,1,0,1|1,0,1]=4 238 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [0,0,0,1,0,1|1,0,1]=4 239 B9R1.35 CC1=NC(C(=O)O)=CS1 M3047 [0,0,0,1,0,1|1,0,1]=4 240 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,0,0,1,0,1|1,0,1]=4 241 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [0,0,0,1,0,1|1,0,1]=4 242 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,0,0,1,0,1|1,0,1]=4 243 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,0,0,1,0,1|1,0,1]=4 244 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,0,0,1,0,1|1,0,1]=4 245 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,0,0,1,0,1|1,0,1]=4 246 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,0,0,1,0,1|1,0,1]=4 247 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43384 [0,0,0,1,0,1|1,0,1]=4 248 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43553 [0,0,0,1,0,1|1,0,1]=4 249 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,0,0,1,0,1|1,0,1]=4 250 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,0,0,1,0,1|1,0,1]=4 251 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,0,0,1,0,1|1,0,1]=4 252 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,0,0,1,0,1|1,0,1]=4 253 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [0,0,0,1,0,1|1,0,1]=4 254 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,0,0,1,0,1|0,0,2]=4 255 B9R1.10 CC1(C)OCC(=O)CO1 D25156 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.55 CN1C[C@@H](C(=O)O)C1=O M60220 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.82 C=C1CC(C(=O)OC)C1 M12361 [0,1,0,1,0,0|0,0,2]=4 258 B9R1.82 COC(=O)C1CC(=O)C1 M0192 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.95 COC1CC(C(=O)O)C1 M11729 [0,1,0,1,0,0|0,0,2]=4 260 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [0,1,0,1,0,0|0,0,2]=4 261 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [0,1,0,1,0,0|0,0,2]=4 262 B9R1.95 NCC1CC(C(=O)O)C1 A15397 [0,1,0,1,0,0|0,0,2]=4 263 B9R1.95 NCC1CC(C(=O)O)C1 A30087 [0,1,0,1,0,0|0,0,2]=4 264 B9R1.95 O=C(O)C1CC(CO)C1 H11330 [0,1,0,1,0,0|0,0,2]=4 265 B9R1.38 CC1(C)OC(=O)NC1=O D60733 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,1,0,1,0,0|0,0,2]=4 267 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,1,0,1,0,0|0,0,2]=4 268 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.152 C=C1CC(C)(C(=O)O)C1 M15409 [0,1,0,1,0,0|0,0,2]=4 270 B9R1.152 CC1(C(=O)O)CC(=O)C1 M11657 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.164 CC1(C)C=C(C(=O)O)C1 D6362 [0,1,0,1,0,0|0,0,2]=4 272 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [0,1,0,1,0,0|0,0,2]=4 273 B9R1.164 CC1(F)CC(C(=O)O)C1 C20596 [0,1,0,1,0,0|0,0,2]=4 274 B9R1.164 CC1(O)CC(C(=O)O)C1 H14479 [0,1,0,1,0,0|0,0,2]=4 275 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 F60006 [0,1,0,1,0,0|0,0,2]=4 276 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 H11742 [0,1,0,1,0,0|0,0,2]=4 277 B9R2.145 O=C(O)C12CC(C1)C2 B22451 [0,0,0,2,0,0|0,0,2]=4 278 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|0,0,2]=4 279 B5R0.5 C=C(F)C(=O)O F39831 [0,0,0,0,2,0|1,0,1]=4 280 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,0,0,0,2,0|1,0,1]=4 281 B5R0.5 CC(C)C(N)=O I4848 [0,0,0,0,2,0|1,0,1]=4 282 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,0,0,0,2,0|1,0,1]=4 283 B5R0.5 C[C@H](N)C(=O)O A39925 [0,0,0,0,2,0|1,0,1]=4 284 B5R0.5 C[C@H](N)C(=O)O A60902 [0,0,0,0,2,0|1,0,1]=4 285 B5R0.5 O=C(O)C(=O)O A69569 [0,0,0,0,2,0|2,0,0]=4 286 B5R0.5 O=C(O)C(=O)O E39942 [0,0,0,0,2,0|2,0,0]=4 287 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,0,0,0,0,2|1,0,1]=4