0 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.7 COCCOCC(=O)O M37948 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.7 O=C(O)CCCCCBr B67880 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.7 O=C(O)CCCCCCl C41527 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 O=C([O-])CCCCCO P41406 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 CC(=O)CCCCBr B41532 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 CC(=O)OCCCBr B41266 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CC(=O)OCCCCl C39190 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCCCC[C@H](C)O H43947 [1,0,0,0,0,0|0,0,3]=4 9 B7R0.4 CCCCOC(N)=O B39165 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CCCOCC(=O)O P40387 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.4 CCOC=CC(=O)O E41226 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 CNCCCC(=O)O M63276 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 COCCCC(=O)O M67387 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 COCCNC(N)=O M36648 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 COC\C=C\C(=O)O M63576 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.4 O=C(O)CCCCBr B39187 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 O=C(O)CCCCCl C39191 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 O=C(O)CCCCO H37199 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.4 O=C([O-])CCCCO S41306 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.2 CC(=O)OCCCCCBr B43861 [0,1,0,0,0,0|1,0,1]=3 22 B9R0.2 NCCCCCCC(=O)O A46516 [0,1,0,0,0,0|1,0,2]=4 23 B9R0.2 NCCCCCCC(=O)O A67452 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.2 O=C(O)CCCCCCBr B43862 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.2 O=C(O)CCCCCCO H36659 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.4 CC(=O)CC(=O)NCCO H41517 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.46 COC(=O)CCCCCBr M39296 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.46 COC(=O)CCCCCN M67967 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.47 C=C(C)C(=O)NCCCN A46499 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,1,0,0,0,0|1,0,2]=4 31 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,1,0,0,0,0|1,0,2]=4 33 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,1,0,0,0,0|1,0,2]=4 35 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,0,0,1,0,0|0,0,2]=3 39 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.6 CC(=O)N1CCNCC1 A67843 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.6 OB(O)C1=CCCCC1 C31070 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,0,0,1,0,0|1,0,2]=4 52 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,0,0,1,0,0|1,1,1]=4 53 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,0,0,1,0,0|1,0,1]=3 54 B9R1.13 CC(=O)N[C@@H]1CCNC1 A14336 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.13 CC(=O)N[C@H]1CCNC1 A14335 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.13 CC(=O)N[C@H]1CCNC1 P63075 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,0,0,1,0,0|1,0,2]=4 59 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.41 CC(=O)C1=CNC=C1C M67633 [0,0,0,1,0,0|1,0,2]=4 63 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.50 O=C1CCCCCCC1 C67881 [0,0,0,1,0,0|0,0,2]=3 65 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,0,1,0,0|1,0,1]=3 66 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,0,0,1,0,0|2,0,1]=4 67 B6R0.6 C=CCCCCBr B9212 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.6 C=CCCCCO H41549 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.6 C=CCCCC[Mg+] H5025 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.6 CC=CCCCO H41548 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.6 CCCCCNC M41618 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.6 CCC\C=C\CO H41550 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.6 C\C=C\C=C\CO H69109 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.6 O=CCCCCCl C41277 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.6 O=CCCCCO H32202 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.4 CC(=O)NCCN A68626 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.4 CC(=O)NCCO H68625 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.4 CC(=O)OCCBr B67892 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.4 CC(C)=CCCBr B0351 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.4 CC(C)=CCC[Mg+] M31885 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.4 CCCCC(=N)N P41343 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.4 CCCOC(N)=O P40264 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.4 COC=CC(C)=O M41222 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.4 O=C(O)\C=C\CBr B37272 [2,0,0,0,0,0|2,0,0]=4 92 B8R0.1 CCOC(=O)\C=C\C=O E69342 [1,1,0,0,0,0|1,0,1]=4 93 B8R0.6 CCCC=CC(=O)OC M43802 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [1,1,0,0,0,0|1,0,0]=3 96 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [1,1,0,0,0,0|1,0,1]=4 98 B8R0.21 CCCCOS(C)(=O)=O B69150 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.28 CC(=O)CCC=C(C)C M68353 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [1,1,0,0,0,0|2,0,0]=4 101 B10R0.3 CC(C)=CCC[C@H](C)CCO D53336 [0,2,0,0,0,0|1,0,1]=4 102 B10R0.59 COC(=O)C=CCC(=O)OC D43729 [0,2,0,0,0,0|1,0,1]=4 103 B10R0.4 CCCCCCCCC(C)=O D53335 [0,2,0,0,0,0|0,0,2]=4 104 B10R0.74 COC(=O)CCCCCCBr M47141 [0,2,0,0,0,0|0,0,2]=4 105 B10R0.74 COC(=O)CCCCCCN M49584 [0,2,0,0,0,0|0,0,2]=4 106 B10R0.74 NCC(=O)NCCCCCBr A43903 [0,2,0,0,0,0|1,0,1]=4 107 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [0,2,0,0,0,0|0,0,1]=3 108 B8R1.2 BrCC1=CCCCC1 B10308 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.2 COC1=CCOCC1 M5825 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.2 O=CC1=CCCOC1 D43308 [1,0,0,1,0,0|1,0,0]=3 111 B8R1.2 O=CC1=COCCC1 D43307 [1,0,0,1,0,0|1,0,0]=3 112 B8R1.2 O=CN1CCCCC1 P68910 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.5 C[C@H]1CCCCC1=O M68370 [1,0,0,1,0,0|0,0,2]=4 115 B8R1.5 C[C@H]1CCCNC1=O P23372 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.5 C[C@H]1CCNCC1=O M14887 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,1,0,0|0,1,1]=4 118 B8R1.11 CC[C@H]1CCCC1=O E43799 [1,0,0,1,0,0|0,0,2]=4 119 B8R1.22 O=C1C=CCCCC1 C67890 [1,0,0,1,0,0|0,0,0]=2 120 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,0,0,1,0,0|0,1,1]=4 121 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.4 CN1CCNC(=O)C1 M6975 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [1,0,0,1,0,0|1,0,0]=3 139 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,1,0,0|0,0,1]=3 144 B8R1.7 O=C(O)C1=CCCC1 C43305 [1,0,0,1,0,0|1,0,0]=3 145 B8R1.7 O=C(O)C1=COCC1 D8190 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.34 CC(=O)NC1CNC1 A1331 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.34 CC(=O)OC1CNC1 A41259 [1,0,0,1,0,0|2,0,0]=4 149 B8R1.34 CC(=O)OC1CNC1 A43595 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.34 CC(=O)SC1CNC1 T12525 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.34 O=C(O)C=C1CCC1 C10691 [1,0,0,1,0,0|1,0,0]=3 152 B8R1.34 O=C(O)CC1CCC1 C24745 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [1,0,0,1,0,0|1,0,0]=3 154 B10R1.13 CC(=O)N1CCC(Cl)CC1 C38339 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.13 CC(=O)N1CCC(N)CC1 A12231 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.13 CC(=O)N1CCC(N)CC1 A12232 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.13 CC(=O)N1CCC(O)CC1 H7831 [0,1,0,1,0,0|1,0,1]=4 158 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 M49548 [0,1,0,1,0,0|0,0,2]=4 159 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 X24459 [0,1,0,1,0,0|1,0,1]=4 160 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [0,1,0,1,0,0|0,0,2]=4 161 B10R1.16 CCCCN1C=C[N+](C)=C1 B67933 [0,1,0,1,0,0|2,0,0]=4 162 B10R1.16 CCCC[N+]1=CN(C)C=C1 B46621 [0,1,0,1,0,0|2,0,0]=4 163 B10R1.18 CC(=O)NC1CCNCC1 A43874 [0,1,0,1,0,0|1,0,1]=4 164 B10R1.18 O=C(O)C=C1CCNCC1 P64007 [0,1,0,1,0,0|1,0,0]=3 165 B10R1.39 CCN1C=CC=C1C(C)=O E46916 [0,1,0,1,0,0|0,0,2]=4 166 B10R1.78 O=C1CCCCCCCN1 A62814 [0,1,0,1,0,0|0,0,2]=4 167 B10R1.348 CC(=O)N1CCCNCC1 D43875 [0,1,0,1,0,0|1,0,1]=4 168 B10R1.130 CCO[C@H]1OC(=O)C=C1Br B43178 [0,1,0,1,0,0|2,0,0]=4 169 B10R1.266 CC(=O)CC(=O)C1CCC1 C6255 [0,1,0,1,0,0|0,0,1]=3 170 B10R1.1 CCCC1CCC(=O)CC1 P50500 [0,1,0,1,0,0|0,0,2]=4 171 B10R1.15 COC(=O)C1=CCCCC1 M47018 [0,1,0,1,0,0|0,0,0]=2 172 B10R1.15 COC(=O)C1=CCOCC1 D4955 [0,1,0,1,0,0|1,0,0]=3 173 B10R1.15 COC(=O)C1=CNCCC1 M29675 [0,1,0,1,0,0|1,0,0]=3 174 B10R1.15 COC(=O)C1=COCCC1 M43727 [0,1,0,1,0,0|1,0,0]=3 175 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [0,1,0,1,0,0|1,0,1]=4 176 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [0,1,0,1,0,0|1,0,1]=4 177 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [0,1,0,1,0,0|1,0,1]=4 178 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [0,1,0,1,0,0|1,0,1]=4 179 B10R1.15 NCC(=O)C1CCCCC1 A11156 [0,1,0,1,0,0|0,0,2]=4 180 B10R1.15 NCC(=O)N1CCCCC1 A46500 [0,1,0,1,0,0|1,0,1]=4 181 B10R1.27 O=C(CCl)NC1CCCC1 C64668 [0,1,0,1,0,0|1,0,1]=4 182 B10R2.71 O=C1CC2CCC(C1)C2 B10791 [0,0,0,2,0,0|0,0,2]=4 183 B10R2.534 O=C1CCCC2(CC2)C1 S60470 [0,0,0,2,0,0|0,0,2]=4 184 B10R2.14 O=C1C[C@H](C2CC2)CN1 C9768 [0,0,0,2,0,0|1,0,1]=4 185 B10R2.316 O=C1CC2(CCCC2)N1 X14688 [0,0,0,2,0,0|1,0,1]=4