0 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.22 O=C1C=CCCCC1 C67890 [1,0,0,0,0,0|1,0,0]=2 3 B8R1.22 O=C1CCCNCC1 H12307 [1,0,0,0,0,0|2,0,1]=4 4 B8R1.22 O=C1CCOCCN1 X16165 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.22 O=C1CCSCCN1 T6235 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.22 O=C1CNCCCN1 D38834 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.275 O=C1CCCCC(O)=C1F F59968 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.1 CCOC(=O)CCCBr B69333 [0,0,1,0,0,0|2,0,1]=4 9 B8R0.1 CCOC(=O)CCCI E31893 [0,0,1,0,0,0|2,0,1]=4 10 B8R0.1 CCOC(=O)CCCN E43487 [0,0,1,0,0,0|2,0,1]=4 11 B8R0.1 CCOC(=O)CCNC E41584 [0,0,1,0,0,0|2,0,1]=4 12 B8R0.1 CCOC(=O)CCSC E39202 [0,0,1,0,0,0|2,0,1]=4 13 B8R0.1 CCOCC(=O)OCC E41554 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.5 COCC(=O)OC(C)C P65707 [0,0,1,0,0,0|2,0,1]=4 18 B8R0.7 C#CCCCCC(=O)O H43713 [0,0,1,0,0,0|1,0,1]=3 19 B8R0.7 C#CCOCCC(=O)O P43310 [0,0,1,0,0,0|2,0,1]=4 20 B8R0.7 C=CCCCCC(=O)O H63383 [0,0,1,0,0,0|1,0,0]=2 21 B8R0.7 COCCOCC(=O)O M37948 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.7 NCCOCCC(=O)O A40415 [0,0,1,0,0,0|2,0,1]=4 23 B8R0.7 O=C(O)CCCCCBr B67880 [0,0,1,0,0,0|1,0,1]=3 24 B8R0.7 O=C(O)CCCCCCl C41527 [0,0,1,0,0,0|1,0,1]=3 25 B8R0.7 O=C(O)CCOCCBr B41274 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.7 O=C([O-])CCCCCO P41406 [0,0,1,0,0,0|0,0,3]=4 27 B8R0.7 [N-]=[N+]=NCCCC(=O)O A1941 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,0,1,0,0,0|1,0,0]=2 29 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,0,1,0,0,0|2,0,0]=3 30 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.19 COC(=O)CC(=O)OC D60836 [0,0,1,0,0,0|3,0,0]=4 32 B10R2.71 O=C1CC2CCC(C1)C2 B10791 [0,0,0,1,0,0|2,0,1]=4 33 B10R2.71 O=C1CC2CCC(C1)O2 X10656 [0,0,0,1,0,0|1,0,2]=4 34 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 A0702 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,0,1,0|3,0,0]=4 36 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,0,1,0|2,0,1]=4 37 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,0,1,0|1,0,0]=2 39 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,0,0,0,1,0|1,0,0]=2 40 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.4 O=C1COCC(=O)C1 P7984 [0,0,0,0,1,0|2,0,0]=3 43 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,0,0,0,1,0|2,0,0]=3 44 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.5 CN1CCNCC1=O M12652 [0,0,0,0,1,0|3,0,0]=4 46 B8R1.5 CN1CCNCC1=O M4395 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,0,1,0|1,0,1]=3 48 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,0,1,0|2,0,1]=4 49 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,0,1,0|2,0,1]=4 50 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,0,1,0|2,0,1]=4 51 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,0,1,0|2,0,1]=4 52 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,0,1,0|2,0,1]=4 53 B8R1.5 NN1CCCCC1=O A41312 [0,0,0,0,1,0|2,0,0]=3 54 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,0,0,0,1,0|2,0,1]=4 55 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,0,1,0|1,0,1]=3 56 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,0,0,0,1,0|2,0,1]=4 57 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,0,0,0,1,0|2,0,1]=4 58 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,0,0,0,1,0|2,0,1]=4 59 B8R1.5 O=C1CCCC=C1Br B3408 [0,0,0,0,1,0|1,0,1]=3 60 B8R1.5 O=C1CCCCC1=O C67839 [0,0,0,0,1,0|0,0,0]=1 61 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,0,0,0,1,0|2,0,1]=4 62 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,0,0,0,1,0|2,0,1]=4 63 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,0,1,0|2,0,1]=4 64 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,0,1,0|2,0,1]=4 65 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,0,0,0,1,0|2,0,1]=4 66 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,0,0,1,0|1,0,2]=4 67 B7R0.1 O=CCCCCC=O A3137 [1,0,1,0,0,0|0,0,0]=2 68 B7R0.3 CCCCC(=O)NN P40425 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.3 CCCOC(=O)OC M40388 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.3 CNCCC(=O)OC M40412 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.3 COC(=O)CCCBr M39189 [1,0,1,0,0,0|1,0,1]=4 72 B7R0.3 COC(=O)CCCCl M60517 [1,0,1,0,0,0|1,0,1]=4 73 B7R0.3 COC(=O)CCCN M32376 [1,0,1,0,0,0|1,0,1]=4 74 B7R0.7 CCOC(=O)CCBr E39188 [1,0,1,0,0,0|1,0,1]=4 75 B7R0.7 CCOC(=O)CCI E41273 [1,0,1,0,0,0|1,0,1]=4 76 B7R0.7 CCOC(=O)CCO E36682 [1,0,1,0,0,0|1,0,1]=4 77 B7R0.7 CCOC(=O)CNC S69399 [1,0,1,0,0,0|1,0,1]=4 78 B7R0.7 CCOC(=O)CSC E40386 [1,0,1,0,0,0|1,0,1]=4 79 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,0,1,0,0,0|2,0,0]=4 80 B7R0.2 CCC(=O)CC(C)=O H69646 [1,0,1,0,0,0|1,0,0]=3 81 B7R0.2 CCC(=O)OC(C)=O A41227 [1,0,1,0,0,0|0,0,0]=2 82 B7R0.4 C#CCCCC(=O)O H43301 [1,0,1,0,0,0|0,0,2]=4 83 B7R0.4 CC(=O)CCCCBr B41532 [1,0,1,0,0,0|2,0,0]=4 84 B7R0.4 CC(=O)OCCCBr B41266 [1,0,1,0,0,0|1,0,1]=4 85 B7R0.4 CC(=O)OCCCCl C39190 [1,0,1,0,0,0|1,0,1]=4 86 B7R0.4 CCCCOC(N)=O B39165 [1,0,1,0,0,0|1,0,1]=4 87 B7R0.4 CCCOCC(=O)O P40387 [1,0,1,0,0,0|1,0,1]=4 88 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,1,0,0,0|2,0,0]=4 89 B7R0.4 CNCCCC(=O)O M63276 [1,0,1,0,0,0|1,0,1]=4 90 B7R0.4 COCCCC(=O)O M67387 [1,0,1,0,0,0|1,0,1]=4 91 B7R0.4 N#CCCCC(=O)O C41166 [1,0,1,0,0,0|1,0,1]=4 92 B7R0.4 O=C(O)CCCCBr B39187 [1,0,1,0,0,0|1,0,0]=3 93 B7R0.4 O=C(O)CCCCCl C39191 [1,0,1,0,0,0|1,0,0]=3 94 B7R0.4 O=C(O)CCCCO H37199 [1,0,1,0,0,0|0,0,1]=3 95 B7R0.4 O=C(O)CNCCO H40270 [1,0,1,0,0,0|1,0,1]=4 96 B7R0.4 O=C(O)COCCCl C40236 [1,0,1,0,0,0|2,0,0]=4 97 B7R0.4 O=C([O-])CCCCO S41306 [1,0,1,0,0,0|0,0,2]=4 98 B9R0.5 CCOC(=O)CCCCBr E39295 [0,1,1,0,0,0|1,0,1]=4 99 B9R0.5 CCOC(=O)CCCCN E46517 [0,1,1,0,0,0|1,0,1]=4 100 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,1,1,0,0,0|1,0,1]=4 101 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,1,1,0,0,0|1,0,1]=4 102 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [0,1,1,0,0,0|2,0,0]=4 103 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [0,1,1,0,0,0|2,0,0]=4 104 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,1,1,0,0,0|2,0,0]=4 105 B9R0.2 NCCCCCCC(=O)O A46516 [0,1,1,0,0,0|1,0,1]=4 106 B9R0.2 NCCCCCCC(=O)O A67452 [0,1,1,0,0,0|1,0,1]=4 107 B9R0.2 O=C(O)CCCCCCBr B43862 [0,1,1,0,0,0|1,0,1]=4 108 B9R0.2 O=C(O)CCCCCCO H36659 [0,1,1,0,0,0|0,0,2]=4 109 B9R0.2 [N-]=[N+]=NCCCCC(=O)O A1942 [0,1,1,0,0,0|2,0,0]=4 110 B9R0.46 COC(=O)CCCCCBr M39296 [0,1,1,0,0,0|1,0,1]=4 111 B9R0.46 COC(=O)CCCCCN M67967 [0,1,1,0,0,0|1,0,1]=4 112 B9R0.47 C=CCCC[C@H](N)C(=O)O A43841 [0,1,1,0,0,0|1,0,0]=3 113 B9R0.47 C=CCSC[C@@H](N)C(=O)O A41511 [0,1,1,0,0,0|2,0,0]=4 114 B9R0.47 C=CCSC[C@H](N)C(=O)O A36718 [0,1,1,0,0,0|2,0,0]=4 115 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,1,1,0,0,0|1,0,1]=4 116 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,1,1,0,0,0|1,0,1]=4 117 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,1,1,0,0,0|1,0,1]=4 118 B9R0.47 NCCCC[C@@H](N)C(=O)O L64962 [0,1,1,0,0,0|1,0,1]=4 119 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,1,1,0,0,0|0,0,0]=2 120 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,1,1,0,0,0|2,0,0]=4 121 B9R0.27 CCC(=O)[C@H](F)C(=O)OC M43406 [0,1,1,0,0,0|2,0,0]=4 122 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C C38219 [0,1,1,0,0,0|1,0,1]=4 123 B9R1.5 CN1CCCCCC1=O M39292 [1,1,0,0,0,0|1,0,1]=4 124 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [1,1,0,0,0,0|1,0,1]=4 125 B9R1.5 N[C@H]1CCCCNC1=O A24830 [1,1,0,0,0,0|1,0,1]=4 126 B9R1.5 N[C@H]1CCCCNC1=O A43463 [1,1,0,0,0,0|1,0,1]=4 127 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [1,1,0,0,0,0|1,0,1]=4 128 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [1,1,0,0,0,0|1,0,1]=4 129 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,0,1,0|1,0,0]=3 130 B9R1.3 CN1C(=O)CCCC1=O M37753 [0,1,0,0,1,0|1,0,0]=3 131 B9R1.3 CN1C(=O)CNCC1=O M13399 [0,1,0,0,1,0|2,0,0]=4 132 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,1,0,0,1,0|1,0,1]=4 133 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,0,1,0|1,0,0]=3 134 B9R1.34 O=C1CC(=O)OC(=O)C1 P40864 [0,1,0,0,1,0|0,0,1]=3 135 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,0,1,0|1,0,0]=3 136 B9R1.69 N[C@H]1CCC(=O)NC1=O A29783 [0,1,0,0,1,0|1,0,0]=3 137 B9R1.69 N[C@H]1CCC(=O)NC1=O A41311 [0,1,0,0,1,0|1,0,0]=3 138 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 B41113 [0,1,0,0,1,0|1,0,0]=3 139 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [0,1,0,0,1,0|1,0,0]=3 140 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,0,1,1,0,0|1,0,1]=4 141 B9R1.41 CC(=O)N1CCNC1=O A41200 [0,0,1,1,0,0|2,0,0]=4 142 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,0,1,1,0,0|2,0,0]=4 143 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,0,1,1,0,0|1,0,0]=3 144 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,0,1,1,0,0|1,0,1]=4 145 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,0,1,1,0,0|1,0,1]=4 146 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,0,1,1,0,0|1,0,1]=4 147 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,0,1,1,0,0|1,0,1]=4 148 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,0,1,1,0,0|1,0,1]=4 149 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,0,1,1,0,0|0,0,2]=4 150 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,0,1,1,0,0|2,0,0]=4 151 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,0,1,1,0,0|1,0,1]=4 152 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,0,1,1,0,0|1,0,1]=4 153 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,0,1,1,0,0|2,0,0]=4 154 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,0,1,1,0,0|2,0,0]=4 155 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,0,1,1,0,0|2,0,0]=4 156 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,0,1,1,0,0|2,0,0]=4 157 B9R1.37 CC1=C(C)C(=O)OC1=O D68903 [0,0,1,1,0,0|0,0,2]=4 158 B9R1.37 C[C@H]1C(=O)OC(=O)N1C D24385 [0,0,1,1,0,0|1,0,0]=3 159 B9R2.21 O=C1CC2CC2CN1 A59683 [1,0,0,1,0,0|1,0,1]=4 160 B9R2.109 O=C1CCCC2CC12 B13672 [1,0,0,1,0,0|1,0,1]=4 161 B9R2.109 O=C1CCCC2OC12 X43306 [1,0,0,1,0,0|2,0,0]=4 162 B9R2.25 O=C1OC(=O)C2CC12 X24282 [0,0,0,1,1,0|0,0,0]=2 163 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,1,1,0|1,0,1]=4 164 B11R2.202 O=C1NC(=O)C2CCCC12 T39419 [0,0,0,1,0,1|1,0,0]=3 165 B11R2.202 O=C1OC(=O)C2CCCC12 T65030 [0,0,0,1,0,1|0,0,0]=2 166 B11R2.201 O=C1CC(=O)C2CCC1C2 B46830 [0,1,0,1,0,0|1,0,0]=3 167 B7R0.5 CCOC(=O)C(=O)O E36772 [0,0,1,0,1,0|2,0,0]=4 168 B7R0.5 CCOC(=O)C(C)=O E60800 [0,0,1,0,1,0|1,0,0]=3 169 B7R0.5 CCOC(=O)C(N)=O E60589 [0,0,1,0,1,0|2,0,0]=4 170 B7R0.10 CCC(=O)C(=O)CC H41459 [0,0,1,0,1,0|0,0,0]=2 171 B7R0.10 COC(=O)C(=O)CBr M2726 [0,0,1,0,1,0|2,0,0]=4 172 B7R1.3 CC1=CCCNC1 M12102 [1,0,0,0,1,0|2,0,0]=4 173 B7R1.3 CC1=CCNCC1 M26826 [1,0,0,0,1,0|2,0,0]=4 174 B7R1.3 O=C1C=CCCN1 D67780 [1,0,0,0,1,0|1,0,1]=4 175 B7R1.3 O=C1C=CCOC1 P26982 [1,0,0,0,1,0|1,0,1]=4 176 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,0,1,0|1,0,0]=3 177 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,0,1,0|1,0,1]=4 178 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,0,1,0|1,0,1]=4 179 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,0,1,0|1,0,1]=4 180 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,0,1,0|1,0,1]=4 181 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,0,1,0|1,0,1]=4 182 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,0,1,0|1,0,1]=4 183 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,0,1,0|1,0,1]=4 184 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,0,1,0|2,0,0]=4 185 B7R1.3 O=C1COCCN1 M7700 [1,0,0,0,1,0|2,0,0]=4 186 B7R1.3 O=C1COCCO1 D38663 [1,0,0,0,1,0|1,0,0]=3 187 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,0,1,0|2,0,0]=4 188 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,0,2,0|2,0,0]=4 189 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,0,2,0|1,0,0]=3 190 B7R1.2 O=C1CNC(=O)N1 K68378 [0,0,0,0,2,0|2,0,0]=4 191 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,0,2,0|1,0,0]=3 192 B7R1.2 O=C1CSC(=O)N1 T69276 [0,0,0,0,2,0|2,0,0]=4 193 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,0,0,0,2,0|2,0,0]=4 194 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,0,2,0|1,0,1]=4 195 B7R1.4 NN1CCCC1=O A22230 [0,0,0,0,2,0|2,0,0]=4 196 B7R1.4 O=C1CCC=C1Br B3409 [0,0,0,0,2,0|1,0,1]=4 197 B7R1.4 O=C1CCC=C1O H41119 [0,0,0,0,2,0|0,0,2]=4