0 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.3 CCCC[C@@H](N)CO A43512 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 C#CCCCC(=O)O H43301 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.4 CC(=O)CCCCBr B41532 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 CCCCCB(O)O P38628 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCCCC[C@H](C)O H43947 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCCCOC(N)=O B39165 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CCCOCC(=O)O P40387 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CNCCCC(=O)O M63276 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.4 COCCCC(=O)O M67387 [1,0,0,0,0,0|0,1,0]=2 15 B7R0.4 COCCNC(N)=O M36648 [1,0,0,0,0,0|2,1,0]=4 16 B7R0.4 COC\C=C\C(=O)O M63576 [1,0,0,0,0,0|0,1,2]=4 17 B7R0.4 N#CCCCC(=O)O C41166 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 O=C(O)CCCCBr B39187 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 O=C(O)CCCCCl C39191 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 O=C(O)CCCCO H37199 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.4 O=C(O)CNCCO H40270 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.4 O=C(O)COCCCl C40236 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.4 O=C([O-])CCCCO S41306 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [1,0,0,0,0,0|0,0,2]=3 26 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [1,0,0,0,0,0|0,0,2]=3 27 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [1,0,0,0,0,0|0,0,2]=3 29 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [1,0,0,0,0,0|0,0,2]=3 30 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [1,0,0,0,0,0|0,0,2]=3 31 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [1,0,0,0,0,0|0,0,2]=3 32 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,0,0,0,0,0|0,0,0]=1 34 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.5 CCOC(=O)C(=O)O E36772 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,0,0,0,0,0|0,1,0]=2 38 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,0,0,0,0,0|0,1,0]=2 39 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,0,0,0,0,0|1,1,0]=3 40 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,0,0,0,0,0|0,1,0]=2 41 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,0,0,0,0,0|0,1,0]=2 42 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.5 NOC[C@H](N)C(=O)O A39931 [1,0,0,0,0,0|1,1,0]=3 48 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,0,0,0,0,0|0,1,0]=2 50 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,0,0,0,0,0|0,0,0]=1 51 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,0,0,0,0,0|0,1,0]=2 52 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,0,0,0,0,0|0,0,0]=1 53 B9R0.3 CSCC[C@@H](N)C(C)(C)O A13741 [0,1,0,0,0,0|1,0,1]=3 54 B9R0.3 CSCC[C@@H](N)C(C)(C)O A7314 [0,1,0,0,0,0|1,0,1]=3 55 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,1,0,0,0,0|2,0,0]=3 56 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.7 N=C(N)NC[C@H](N)C(=O)O A40356 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O G69583 [0,1,0,0,0,0|2,0,0]=3 60 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,1,0,0,0,0|1,0,0]=2 61 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.13 CCCC[C@H](CC)C(=O)[O-] P46623 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.42 COC(=O)C[C@@H](C)C(=O)O M41477 [0,1,0,0,0,0|1,1,1]=4 64 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [0,1,0,0,0,0|0,1,1]=3 65 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [0,1,0,0,0,0|0,1,1]=3 66 B9R0.47 C=CCCC[C@H](N)C(=O)O A43841 [0,1,0,0,0,0|1,0,1]=3 67 B9R0.47 C=CCSC[C@@H](N)C(=O)O A41511 [0,1,0,0,0,0|1,0,1]=3 68 B9R0.47 C=CCSC[C@H](N)C(=O)O A36718 [0,1,0,0,0,0|1,0,1]=3 69 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.47 NCCCC[C@@H](N)C(=O)O L64962 [0,1,0,0,0,0|1,0,0]=2 73 B9R0.47 NCCCC[C@H](N)C(N)=O D43569 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,0,0,1,0,0|3,0,0]=4 79 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,0,0,1,0,0|2,1,0]=4 80 B9R1.6 NC(=O)C1CCNCC1 P10277 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.6 NC(=O)C1CCNCC1 P43467 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [0,0,0,1,0,0|2,1,0]=4 83 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,0,0,1,0,0|1,1,0]=3 87 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,0,0,1,0,0|1,0,0]=2 88 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,0,0,1,0,0|3,0,0]=4 89 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,0,0,1,0,0|1,0,0]=2 93 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,0,0,1,0,0|1,0,0]=2 107 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,0,0,1,0,0|3,0,0]=4 110 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.6 OB(O)C1CCSCC1 T31828 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,0,0,1,0,0|1,0,0]=2 125 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,0,0,1,0,0|1,0,0]=2 126 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,0,0,1,0,0|3,0,0]=4 130 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,0,0,1,0,0|3,0,0]=4 132 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,0,0,1,0,0|3,0,0]=4 135 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,0,0,1,0,0|3,0,0]=4 140 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,0,0,1,0,0|3,0,0]=4 141 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,0,0,1,0,0|3,0,0]=4 142 B9R1.69 N[C@H]1CCC(=O)NC1=O A29783 [0,0,0,1,0,0|3,0,0]=4 143 B9R1.69 N[C@H]1CCC(=O)NC1=O A41311 [0,0,0,1,0,0|3,0,0]=4 144 B9R1.95 COC1CC(C(=O)O)C1 M11729 [0,0,0,1,0,0|1,1,0]=3 145 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [0,0,0,1,0,0|1,1,0]=3 146 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [0,0,0,1,0,0|1,1,0]=3 147 B9R1.95 NCC1CC(C(=O)O)C1 A15397 [0,0,0,1,0,0|3,0,0]=4 148 B9R1.95 NCC1CC(C(=O)O)C1 A30087 [0,0,0,1,0,0|3,0,0]=4 149 B9R1.95 O=C(O)C1CC(CO)C1 H11330 [0,0,0,1,0,0|3,0,0]=4 150 B9R1.110 CC(C(=O)O)C1CCO1 X59781 [0,0,0,1,0,0|3,0,0]=4 151 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,0,0,1,0,0|1,0,0]=2 152 B9R1.110 N[C@@H](C(=O)O)C1COC1 A8466 [0,0,0,1,0,0|0,1,0]=2 153 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,0,0,1,0,0|1,0,0]=2 154 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,0,0,1,0,0|1,0,0]=2 155 B9R1.110 N[C@H](C(=O)O)C1COC1 A8464 [0,0,0,1,0,0|0,1,0]=2 156 B9R1.110 N[C@H](C(=O)O)C1COC1 A8465 [0,0,0,1,0,0|0,1,0]=2 157 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,0,0,1,0,0|1,0,0]=2 158 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,0,0,1,0,0|1,0,0]=2 159 B9R1.163 CC1(C(N)=O)CSSC1 M64141 [0,0,0,1,0,0|3,0,0]=4 160 B9R1.163 C[C@@]1(C(=O)O)CCCN1 M20146 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.163 C[C@]1(C(=O)O)CCCN1 M17794 [0,0,0,1,0,0|3,0,0]=4 162 B9R1.163 C[C@]1(C(=O)O)CCCN1 M7933 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.163 C[C@]1(C(=O)O)CCNC1 M62974 [0,0,0,1,0,0|2,0,0]=3 164 B9R1.163 C[C@]1(C(=O)O)CCOC1 M11773 [0,0,0,1,0,0|1,1,0]=3 165 B9R1.163 NC(=O)C1(N)CCCC1 A41537 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.163 N[C@@]1(C(=O)O)CCNC1 A65489 [0,0,0,1,0,0|1,0,0]=2 167 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A0696 [0,0,0,1,0,0|0,1,0]=2 168 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A60223 [0,0,0,1,0,0|0,1,0]=2 169 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A64109 [0,0,0,1,0,0|0,1,0]=2 170 B9R1.163 N[C@]1(C(=O)O)CCOC1 A60224 [0,0,0,1,0,0|0,1,0]=2 171 B9R1.163 O=C(O)C1(F)CCCC1 F38406 [0,0,0,1,0,0|2,0,0]=3 172 B9R1.163 O=C(O)C1(O)CCCC1 H41472 [0,0,0,1,0,0|2,0,0]=3 173 B9R1.163 O=C(O)[C@]1(F)CCNC1 F14431 [0,0,0,1,0,0|2,0,0]=3 174 B6R0.1 CCC[C@H](N)CO A40443 [2,0,0,0,0,0|0,0,1]=3 175 B6R0.1 CCC[C@H](N)CO A66421 [2,0,0,0,0,0|0,0,1]=3 176 B6R0.4 C#CCCC(=O)O P68088 [2,0,0,0,0,0|0,0,2]=4 177 B6R0.4 C=CCCC(=O)O P37823 [2,0,0,0,0,0|0,0,2]=4 178 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.4 CCCCC(=N)N P41343 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|0,0,1]=3 181 B6R0.4 CCCOC(N)=O P40264 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|0,1,0]=3 184 B6R0.4 N#CCCC(=O)O C69146 [2,0,0,0,0,0|1,0,1]=4 185 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.6 CNCCCCO M38840 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.6 O=CCCCCCl C41277 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.6 O=CCCCCO H32202 [2,0,0,0,0,0|2,0,0]=4 191 B6R0.3 C=C[C@H](N)C(=O)O A40334 [2,0,0,0,0,0|0,0,2]=4 192 B6R0.3 CC[C@@H](C)C(=O)O M40381 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.3 CC[C@@H](N)C(N)=O A40305 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.3 CC[C@H](N)C(=O)O A40349 [2,0,0,0,0,0|0,0,0]=2 195 B6R0.3 CC[C@H](N)C(=O)O A68376 [2,0,0,0,0,0|0,0,0]=2 196 B6R0.3 CC[C@H](N)C(N)=O A64477 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.3 CC[C@H](O)C(=O)O H23105 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.3 CN[C@@H](C)C(=O)O M68914 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.3 CN[C@H](C)C(=O)O M63076 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.3 CO[C@@H](C)C(=O)O M11053 [2,0,0,0,0,0|1,1,0]=4 201 B6R0.3 CO[C@@H](C)C(=O)O M69861 [2,0,0,0,0,0|1,1,0]=4 202 B6R0.3 CO[C@H](C)C(=O)O M8894 [2,0,0,0,0,0|1,1,0]=4 203 B6R0.3 C[C@H](CN)C(=O)O A40352 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.3 NC(=O)[C@H](N)CO A39930 [2,0,0,0,0,0|1,1,0]=4 205 B6R0.3 NC[C@@H](O)C(=O)O A39878 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.3 NC[C@H](N)C(=O)O D39929 [2,0,0,0,0,0|1,0,0]=3 207 B6R0.3 NC[C@H](O)C(=O)O S39877 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.3 N[C@@H](CS)C(=O)O A39926 [2,0,0,0,0,0|0,0,0]=2 209 B6R0.3 N[C@H](CCl)C(=O)O A39869 [2,0,0,0,0,0|1,0,0]=3 210 B6R0.3 N[C@H](CCl)C(=O)O A63558 [2,0,0,0,0,0|1,0,0]=3 211 B6R0.3 N[C@H](CS)C(=O)O A37860 [2,0,0,0,0,0|0,0,0]=2 212 B6R0.3 N[C@H](CS)C(=O)O C67456 [2,0,0,0,0,0|0,0,0]=2 213 B6R0.3 N[C@H](CS)C(=O)O C69203 [2,0,0,0,0,0|0,0,0]=2 214 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.3 O=C(O)[C@@H](O)CO D38851 [2,0,0,0,0,0|1,1,0]=4 216 B8R0.1 CCCC[C@H](N)CCO A62132 [1,1,0,0,0,0|1,0,1]=4 217 B8R0.6 NCCCC[C@H](N)CO D43570 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [1,1,0,0,0,0|1,0,1]=4 219 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [1,1,0,0,0,0|1,0,0]=3 220 B8R0.7 C#CCCCCC(=O)O H43713 [1,1,0,0,0,0|1,0,1]=4 221 B8R0.7 C#CCOCCC(=O)O P43310 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.7 C=CCCCCC(=O)O H63383 [1,1,0,0,0,0|1,0,1]=4 223 B8R0.7 COCCOCC(=O)O M37948 [1,1,0,0,0,0|0,1,0]=3 224 B8R0.7 NCCOCCC(=O)O A40415 [1,1,0,0,0,0|2,0,0]=4 225 B8R0.7 O=C(O)CCCCCBr B67880 [1,1,0,0,0,0|1,0,0]=3 226 B8R0.7 O=C(O)CCCCCCl C41527 [1,1,0,0,0,0|1,0,0]=3 227 B8R0.7 O=C(O)CCOCCBr B41274 [1,1,0,0,0,0|2,0,0]=4 228 B8R0.7 O=C([O-])CCCCCO P41406 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.7 [N-]=[N+]=NCCCC(=O)O A1941 [1,1,0,0,0,0|2,0,0]=4 230 B8R0.28 CC(=O)CCCC(=O)O A41468 [1,1,0,0,0,0|1,0,0]=3 231 B8R0.28 CC(=O)NCCC(=O)O A60540 [1,1,0,0,0,0|2,0,0]=4 232 B8R0.28 CN(C)CCCC(=O)O D43497 [1,1,0,0,0,0|1,0,0]=3 233 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [1,1,0,0,0,0|0,1,0]=3 234 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [1,1,0,0,0,0|0,1,0]=3 235 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [1,1,0,0,0,0|1,0,1]=4 236 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [1,1,0,0,0,0|0,0,0]=2 237 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [1,1,0,0,0,0|1,0,0]=3 238 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [1,1,0,0,0,0|1,0,0]=3 239 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [1,1,0,0,0,0|1,0,0]=3 240 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [1,1,0,0,0,0|1,0,0]=3 241 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [1,1,0,0,0,0|0,1,1]=4 242 B8R0.23 N[C@@H](CS(=O)O)C(=O)O A69057 [1,1,0,0,0,0|1,0,1]=4 243 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O A41518 [0,1,0,0,0,1|2,0,0]=4 244 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O A41520 [0,2,0,0,0,0|2,0,0]=4 245 B10R0.57 COC(=O)[C@H](N)CCC(=O)O A43462 [0,2,0,0,0,0|2,0,0]=4 246 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O A69603 [0,2,0,0,0,0|0,1,0]=3 247 B10R0.82 COC(=O)CC[C@H](N)C(=O)O A68700 [0,2,0,0,0,0|0,1,0]=3 248 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O A61567 [0,2,0,0,0,0|2,0,0]=4 249 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O B68329 [0,2,0,0,0,0|2,0,0]=4 250 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O A46521 [0,2,0,0,0,0|2,0,0]=4 251 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O D60267 [0,2,0,0,0,0|2,0,0]=4 252 B10R0.19 CCOC(=O)[C@@H](N)CCCN E63673 [0,2,0,0,0,0|2,0,0]=4 253 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC D38517 [0,2,0,0,0,0|0,1,1]=4 254 B10R0.46 COC(=O)C[C@H](N)C(=O)OC A61977 [0,2,0,0,0,0|0,1,1]=4 255 B10R0.46 COC(=O)C[C@H](N)C(=O)OC D68297 [0,2,0,0,0,0|0,1,1]=4 256 B10R0.83 COC(=O)[C@H](N)CCCCN M46606 [0,2,0,0,0,0|1,0,0]=3 257 B10R0.75 CCCCCC[C@H](N)C(=O)O A37358 [0,2,0,0,0,0|1,0,0]=3 258 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O A41519 [0,2,0,0,0,0|1,0,1]=4 259 B8R1.2 O=CC1CCOCC1 T0115 [1,0,0,1,0,0|1,1,0]=4 260 B8R1.2 O=CC1CCSCC1 T31827 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.2 OCC1CCSCC1 T13093 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.2 OC[C@@H]1CCCCN1 P7111 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.2 OC[C@H]1CCCCN1 H41578 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.2 OC[C@H]1CCCCN1 P7110 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.5 C[C@H]1CCCCC1=O M68370 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.5 C[C@H]1CCNCC1=O M14887 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.5 NN1CCCCC1=O A41312 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.5 N[C@@H]1CCCNC1=O A41314 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [1,0,0,1,0,0|0,1,1]=4 272 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [1,0,0,1,0,0|0,1,1]=4 273 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [1,0,0,1,0,0|0,1,1]=4 274 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [1,0,0,1,0,0|0,1,1]=4 275 B8R1.5 N[C@H]1CCCCC1=O A63504 [1,0,0,1,0,0|1,0,0]=3 276 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [1,0,0,1,0,0|1,0,1]=4 279 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.5 N[C@H]1CCCNC1=O A38933 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.5 N[C@H]1CCCNC1=O A41313 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.5 N[C@H]1CCCNC1=O A64847 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [1,0,0,1,0,0|0,1,1]=4 284 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [1,0,0,1,0,0|0,1,1]=4 285 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [1,0,0,1,0,0|0,1,1]=4 286 B8R1.52 N[C@@]1(CO)CCOC1 A11595 [1,0,0,1,0,0|0,1,1]=4 287 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [1,0,0,1,0,0|1,1,0]=4 296 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [1,0,0,1,0,0|1,1,0]=4 297 B8R1.7 O=C(O)C1CC=CC1 C11537 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,1,0,0|1,0,0]=3 299 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,1,0,0|1,0,0]=3 304 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,1,0,0|1,0,0]=3 305 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,1,0,0|0,1,0]=3 306 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [1,0,0,1,0,0|1,1,0]=4 307 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,1,0,0|1,0,0]=3 309 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,1,0,0|1,0,0]=3 310 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,1,0,0|1,0,0]=3 311 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,1,0,0|1,0,0]=3 312 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,1,0,0|0,1,0]=3 313 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,1,0,0|0,1,0]=3 314 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [1,0,0,1,0,0|1,0,0]=3 315 B8R1.31 CC1NCC1C(=O)O M27890 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [1,0,0,1,0,0|2,0,0]=4 318 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [1,0,0,1,0,0|2,0,0]=4 320 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.31 O=C(O)C1CCC1F F59749 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.34 O=C(O)CC1CCC1 C24745 [1,0,0,1,0,0|1,0,0]=3 325 B8R1.34 O=C(O)CC1CNC1 A10213 [1,0,0,1,0,0|1,0,0]=3 326 B8R1.34 O=C(O)CC1COC1 X6649 [1,0,0,1,0,0|0,1,0]=3 327 B8R1.43 N#CC1CC1C(=O)O C24298 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.23 CC1CC(C(=O)O)C1 M14949 [1,0,0,1,0,0|1,0,0]=3 331 B8R1.23 CN1CC(C(=O)O)C1 M0190 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [1,0,0,1,0,0|1,0,0]=3 333 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.23 NC1CC(C(=O)O)C1 A12181 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.23 O=C(O)C1CC(F)C1 F0317 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.23 O=C(O)C1CC(O)C1 H12369 [1,0,0,1,0,0|1,1,0]=4 342 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [1,0,0,1,0,0|1,1,0]=4 344 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [1,0,0,1,0,0|1,1,0]=4 347 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [1,0,0,1,0,0|0,1,1]=4 348 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [1,0,0,1,0,0|0,0,2]=4 349 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [1,0,0,1,0,0|0,0,0]=2 350 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [1,0,0,1,0,0|0,0,0]=2 351 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [1,0,0,1,0,0|1,0,1]=4 352 B8R1.78 CC1(C(=O)O)CCC1 M11732 [1,0,0,1,0,0|1,0,0]=3 353 B8R1.78 CC1(C(=O)O)CNC1 M29556 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.78 CC1(C(=O)O)COC1 M6214 [1,0,0,1,0,0|1,1,0]=4 355 B8R1.78 NC1(C(=O)O)CCC1 A10609 [1,0,0,1,0,0|0,0,0]=2 356 B8R1.78 NC1(C(=O)O)CCC1 A26979 [1,0,0,1,0,0|0,0,0]=2 357 B8R1.78 NC1(C(=O)O)CNC1 A6058 [1,0,0,1,0,0|1,0,0]=3 358 B8R1.78 NC1(C(=O)O)COC1 A5828 [1,0,0,1,0,0|0,1,0]=3 359 B8R1.78 O=C(O)C1(F)CNC1 F11481 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.78 O=C(O)C1(O)COC1 H60052 [1,0,0,1,0,0|1,1,0]=4 361 B10R1.18 O=C(O)CC1CCCCC1 C69214 [0,0,0,1,0,1|2,0,0]=4 362 B10R1.18 O=C(O)CC1CCNCC1 P7877 [0,0,0,1,0,1|2,0,0]=4 363 B10R1.18 O=C(O)CC1CCOCC1 T0118 [0,0,0,1,0,1|1,1,0]=4 364 B10R1.18 O=C(O)C[C@H]1CCCCO1 T37652 [0,0,0,1,0,1|2,0,0]=4 365 B10R1.18 O=C(O)C[C@H]1COCCN1 M13099 [0,0,0,1,0,1|2,0,0]=4 366 B10R1.18 O=C(O)C[C@H]1COCCN1 M43452 [0,0,0,1,0,1|2,0,0]=4 367 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 A43846 [0,1,0,1,0,0|1,0,0]=3 368 B10R1.23 N[C@H](C(=O)O)C1CCCC1 A43844 [0,1,0,1,0,0|1,0,0]=3 369 B10R1.23 N[C@H](C(=O)O)C1CCCC1 A68051 [0,1,0,1,0,0|1,0,0]=3 370 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 B24122 [0,1,0,1,0,0|2,0,0]=4 371 B10R1.495 CC1([C@H](N)C(=O)O)COC1 A20975 [0,1,0,1,0,0|0,1,0]=3 372 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.13 CN1CCC(C(=O)O)CC1 M3857 [0,1,0,1,0,0|2,0,0]=4 374 B10R1.13 CN1CCC(C(=O)O)CC1 M46487 [0,1,0,1,0,0|2,0,0]=4 375 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [0,1,0,1,0,0|2,0,0]=4 376 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A17080 [0,1,0,1,0,0|2,0,0]=4 377 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A8201 [0,1,0,1,0,0|2,0,0]=4 378 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A15622 [0,1,0,1,0,0|2,0,0]=4 379 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 T1863 [0,1,0,1,0,0|2,0,0]=4 380 B10R1.13 O=C(O)C1CCC(F)CC1 F30022 [0,1,0,1,0,0|2,0,0]=4 381 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H11578 [0,1,0,1,0,0|1,0,0]=3 382 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H20354 [0,1,0,1,0,0|1,0,0]=3 383 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 H13281 [0,1,0,1,0,0|2,0,0]=4 384 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H15603 [0,1,0,1,0,0|1,0,0]=3 385 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H21751 [0,1,0,1,0,0|1,0,0]=3 386 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 H13280 [0,1,0,1,0,0|2,0,0]=4 387 B10R1.13 O=C1CCC(C(=O)O)CC1 X12147 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 X1308 [0,1,0,1,0,0|1,0,0]=3 389 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 X1728 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 X41365 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.349 CN(C)C1CC(C(=O)O)C1 D20661 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 D13170 [0,1,0,1,0,0|1,0,1]=4 393 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 M10758 [0,1,0,1,0,0|2,0,0]=4 394 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 M6847 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 M63312 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.15 COC(=O)C1CCNCC1 M25177 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.15 COC(=O)C1CCNCC1 M39294 [0,1,0,1,0,0|2,0,0]=4 398 B10R1.15 COC(=O)C1CCOCC1 M10320 [0,1,0,1,0,0|1,1,0]=4 399 B10R1.15 COC(=O)C1CCSCC1 M13092 [0,1,0,1,0,0|1,0,0]=3 400 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [0,1,0,1,0,0|1,0,0]=3 401 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [0,1,0,1,0,0|1,0,0]=3 402 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [0,1,0,1,0,0|1,0,0]=3 403 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.15 COC(=O)[C@@H]1CNCCN1 M43559 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.15 COC(=O)[C@@H]1COCCN1 M13411 [0,1,0,1,0,0|2,0,0]=4 406 B10R1.15 COC(=O)[C@@H]1COCCN1 M18297 [0,1,0,1,0,0|2,0,0]=4 407 B10R1.15 COC(=O)[C@@H]1COCCN1 M19898 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.15 COC(=O)[C@@H]1COCCN1 M41516 [0,1,0,1,0,0|2,0,0]=4 409 B10R1.15 COC(=O)[C@H]1CNCCN1 P15343 [0,1,0,1,0,0|2,0,0]=4 410 B10R1.15 COC(=O)[C@H]1COCCN1 M13412 [0,1,0,1,0,0|2,0,0]=4 411 B10R1.182 COC(=O)C(N)C1COC1 M6273 [0,1,0,1,0,0|0,1,0]=3 412 B10R1.411 COC(=O)C1(N)CCCC1 M24481 [0,1,0,1,0,0|1,0,0]=3 413 B10R1.411 COC(=O)C1(O)CCCC1 M29915 [0,1,0,1,0,0|2,0,0]=4 414 B10R1.411 COC(=O)[C@@]1(C)CCNC1 M16615 [0,1,0,1,0,0|2,0,0]=4 415 B10R1.411 COC(=O)[C@@]1(C)CCOC1 M13225 [0,1,0,1,0,0|1,1,0]=4 416 B10R1.411 COC(=O)[C@]1(N)CCOC1 A13191 [0,1,0,1,0,0|0,1,0]=3 417 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O M43389 [0,1,0,1,0,0|2,0,0]=4 418 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O M43390 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.194 CN1CC[C@@H](C(=O)O)C1=O M22957 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C D30134 [0,1,0,1,0,0|1,0,0]=3 421 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C D30133 [0,1,0,1,0,0|1,0,0]=3 422 B10R1.348 O=C(O)C1CCC=CCC1 C47016 [0,1,0,1,0,0|2,0,0]=4 423 B10R1.348 O=C(O)[C@H]1CCCNCC1 H1656 [0,1,0,1,0,0|2,0,0]=4 424 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [0,1,0,1,0,0|1,0,0]=3 425 B10R1.113 CN1CCC[C@H](C(=O)O)C1 M12564 [0,1,0,1,0,0|2,0,0]=4 426 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [0,1,0,1,0,0|1,0,0]=3 427 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [0,1,0,1,0,0|2,0,0]=4 428 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [0,1,0,1,0,0|2,0,0]=4 429 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [0,1,0,1,0,0|2,0,0]=4 430 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [0,1,0,1,0,0|2,0,0]=4 431 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [0,1,0,1,0,0|2,0,0]=4 432 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [0,1,0,1,0,0|2,0,0]=4 433 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [0,1,0,1,0,0|2,0,0]=4 434 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [0,1,0,1,0,0|2,0,0]=4 435 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [0,1,0,1,0,0|2,0,0]=4 436 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [0,1,0,1,0,0|2,0,0]=4 437 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [0,1,0,1,0,0|2,0,0]=4 438 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [0,1,0,1,0,0|1,0,0]=3 439 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [0,1,0,1,0,0|2,0,0]=4 440 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [0,1,0,1,0,0|1,0,0]=3 441 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 P69097 [0,1,0,1,0,0|1,0,1]=4 442 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 X63709 [0,1,0,1,0,0|1,0,1]=4 443 B10R1.204 N[C@@H](CC1CCC1)C(=O)O A64838 [0,1,0,1,0,0|1,0,0]=3 444 B10R1.363 CC1(C(=O)O)CCNCC1 M26508 [0,1,0,1,0,0|2,0,0]=4 445 B10R1.363 CC1(C(=O)O)CCOCC1 M0516 [0,1,0,1,0,0|1,1,0]=4 446 B10R1.363 CC1(C(=O)O)CCSCC1 M13095 [0,1,0,1,0,0|1,0,0]=3 447 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 M61881 [0,1,0,1,0,0|1,0,0]=3 448 B10R1.363 C[C@]1(C(=O)O)CCCCN1 M16273 [0,1,0,1,0,0|1,0,0]=3 449 B10R1.363 C[C@]1(C(=O)O)CCCNC1 M11314 [0,1,0,1,0,0|2,0,0]=4 450 B10R1.363 C[C@]1(C(=O)O)CCCNC1 M11315 [0,1,0,1,0,0|2,0,0]=4 451 B10R1.363 NC1(C(=O)O)CCCCC1 A68884 [0,1,0,1,0,0|1,0,0]=3 452 B10R1.363 NC1(C(=O)O)CCNCC1 A15544 [0,1,0,1,0,0|1,0,0]=3 453 B10R1.363 NC1(C(=O)O)CCOCC1 A12039 [0,1,0,1,0,0|0,1,0]=3 454 B10R1.363 NC1(C(=O)O)CCOCC1 A43458 [0,1,0,1,0,0|0,1,0]=3 455 B10R1.363 O=C(O)C1(F)CCOCC1 F11519 [0,1,0,1,0,0|1,1,0]=4 456 B10R1.363 O=C(O)C1(O)CCCCC1 H43816 [0,1,0,1,0,0|2,0,0]=4 457 B10R1.363 O=C(O)C1(O)CCOCC1 H23960 [0,1,0,1,0,0|1,1,0]=4 458 B10R2.178 O=C1CCC2CCC1N2 A14807 [0,0,0,2,0,0|2,0,0]=4 459 B10R2.178 O=C1CCC2CCC1N2 A60094 [0,0,0,2,0,0|2,0,0]=4 460 B10R2.178 O=C1NCC2CCC1N2 D13376 [0,0,0,2,0,0|2,0,0]=4 461 B10R2.344 O=C(O)C12CNCC1C2 A11245 [0,0,0,2,0,0|2,0,0]=4 462 B10R2.344 O=C(O)[C@@]12CC1CCN2 A59678 [0,0,0,2,0,0|1,0,0]=3 463 B10R2.351 O=C(O)C1C2COCC21 X43312 [0,0,0,2,0,0|1,1,0]=4 464 B10R2.351 O=C(O)[C@@H]1[C@H]2COC[C@H]21 X13542 [0,0,0,2,0,0|1,1,0]=4 465 B10R2.351 O=C(O)[C@H]1[C@H]2COC[C@H]21 X24260 [0,0,0,2,0,0|1,1,0]=4 466 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2C[C@@H]21 A8244 [0,0,0,2,0,0|1,0,0]=3 467 B10R2.355 O=C(O)[C@@H]1NC[C@H]2C[C@H]21 A60096 [0,0,0,2,0,0|1,0,0]=3 468 B10R2.355 O=C(O)[C@H]1NC[C@@H]2CC12 A15434 [0,0,0,2,0,0|1,0,0]=3 469 B10R2.357 O=C(O)C1CC2CC2C1 B11090 [0,0,0,2,0,0|2,0,0]=4 470 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A11247 [0,0,0,2,0,0|1,0,0]=3 471 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A13960 [0,0,0,2,0,0|1,0,0]=3 472 B10R2.633 O=C(O)C1CC1C2CC2 C26303 [0,0,0,2,0,0|2,0,0]=4 473 B10R2.638 O=C(O)[C@H]1CC12CCC2 S21784 [0,0,0,2,0,0|2,0,0]=4