0 B8R0.7 C#CCCCCC(=O)O CS-0020150 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 C#CCCOCC(=O)O CS-0614377 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.7 C#CCOCCC(=O)O CS-0108409 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.7 C=CCCCCC(=O)O CS-0097711 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.7 CC(=O)NCCCCN CS-0453679 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.7 CC(=O)OCCCCCl CS-W010967 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.7 CC(C)CCCCCO CS-0210352 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.7 CC(C)CCCCCO CS-0641181 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.7 CC(C)NCCCCO CS-M3069 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.7 CCCCCCB(O)O CS-W000880 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.7 CCCCCCC(C)=O CS-W011125 [0,0,0,0,0,0|0,0,0]=0 11 B8R0.7 CCCCCCC(C)Br CS-0182749 [0,0,0,0,0,0|1,0,1]=2 12 B8R0.7 CCCCCCC(C)O CS-W011107 [0,0,0,0,0,0|0,0,2]=2 13 B8R0.7 CCCCCC[C@@H](C)N CS-0204339 [0,0,0,0,0,0|1,0,1]=2 14 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [0,0,0,0,0,0|0,0,2]=2 15 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [0,0,0,0,0,0|0,0,2]=2 16 B8R0.7 CCCCOCC(=O)O CS-0152080 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.7 CN(C)CCCCCN CS-0044781 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.7 CN(C)CCOCCO CS-W011078 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.7 COCCOCC(=O)O CS-0084611 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.7 COCCOCC(=O)O CS-0527879 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.7 COCCOCC(=O)O CS-0527882 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.7 FC(F)CCCCCBr CS-0639269 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.7 N=C(N)NCCCCN CS-0058963 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.7 NC(=O)CCCCCBr CS-0138401 [0,0,0,0,0,0|2,0,0]=2 25 B8R0.7 NCCCCCC(=O)O CS-2204 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.7 NCCCCCC(N)=O CS-0137981 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.7 O=C(O)CCCCCO CS-0158392 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.7 O=C(O)CCOCCBr CS-0107735 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.7 O=C(O)CCOCCO CS-0066172 [0,0,0,0,0,0|3,0,0]=3 33 B8R0.7 O=C(O)CCOCCO CS-0528773 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.7 O=C([O-])CCCCCO CS-0158395 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.1 BrCCCCCCBr CS-0015831 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.1 C#CCCCCCO CS-W007441 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.1 C=CCCCCCBr CS-W009270 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.1 C=CCCCCNC CS-0187593 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.1 C=COCCCCO CS-0077087 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.1 CCCCCCCBr CS-W017293 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.1 CCCCCCCO CS-0152146 [1,0,0,0,0,0|0,0,2]=3 42 B7R0.1 CCCCNCCO CS-0077079 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.1 CCCC\C=C\C=O CS-0185633 [1,0,0,0,0,0|0,0,2]=3 44 B7R0.1 CCCOCCCN CS-0213493 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.1 CCNCCCCO CS-0206547 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.1 CNCCOCCO CS-0209922 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.1 COCCOCCBr CS-0116183 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.1 COCCOCCI CS-0150162 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.1 COCCOCCN CS-0115786 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.1 COCCOCCN CS-0115787 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.1 COCCOCCN CS-0115788 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.1 COCCOCCN CS-0115790 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.1 COCCOCCN CS-W008429 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.1 COCCOCCO CS-0116122 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.1 COCCOCCO CS-0644881 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.1 COCCOCCO CS-0889987 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.1 COCCOCCO CS-W013578 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.1 COCCOCCS CS-0115760 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.1 COCCOCCS CS-0115764 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.1 COCCOCCS CS-0650914 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.1 ClCCCCCCBr CS-W010503 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.1 ClCCCCCCCl CS-W016259 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.1 ClCCCCCCI CS-0059200 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.1 ICCCCCCI CS-W011914 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.1 N#CCCCCCBr CS-0158396 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.1 N#CCCCCCN CS-0147655 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.1 NCCCCCCBr CS-0158390 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.1 NCCCCCCN CS-W015964 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.1 NCCCCCCO CS-W007957 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.1 NCCCCCCS CS-D0506 [1,0,0,0,0,0|1,1,1]=4 71 B7R0.1 OCCCCCCBr CS-0654104 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.1 OCCCCCCBr CS-W017171 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.1 OCCCCCCCl CS-B1599 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.1 OCCCCCCO CS-W011221 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.4 C=CCCCC(=O)O CS-0113496 [1,0,0,0,0,0|1,0,2]=4 77 B7R0.4 CC(=O)CCCCCl CS-W013363 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.4 CC(=O)OCCCI CS-0166646 [1,0,0,0,0,0|2,0,0]=3 80 B7R0.4 CC(C)CCCCBr CS-0154231 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 CC(C)CCCCO CS-W011227 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.4 CC(O)CCCCO CS-0572924 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.4 CCCCCB(O)O CS-W018820 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.4 CCCCCC(C)O CS-W016595 [1,0,0,0,0,0|0,0,2]=3 85 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [1,0,0,0,0,0|0,0,2]=3 86 B7R0.4 CCCCC[C@H](C)O CS-0179417 [1,0,0,0,0,0|0,0,2]=3 87 B7R0.4 CCCCNC(N)=O CS-0071736 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.4 CCCCNC(N)=S CS-0132422 [1,0,0,0,0,0|2,1,0]=4 89 B7R0.4 CCCCOC(=S)[S-] CS-0187867 [1,0,0,0,0,0|2,1,0]=4 90 B7R0.4 CCCNCC(=O)O CS-0250530 [1,0,0,0,0,0|2,0,0]=3 91 B7R0.4 CCCOCC(=O)O CS-0152048 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.4 CCCSCC(=O)O CS-0651549 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [1,0,0,0,0,0|1,0,2]=4 94 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [1,0,0,0,0,0|0,0,2]=3 95 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [1,0,0,0,0,0|1,0,2]=4 96 B7R0.4 CN(C)CCCCCl CS-0059660 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.4 CN(C)CCCCN CS-0206346 [1,0,0,0,0,0|3,0,0]=4 98 B7R0.4 CN(C)CCCCN CS-0669419 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.4 CN(C)CCCCO CS-W022016 [1,0,0,0,0,0|3,0,0]=4 100 B7R0.4 CNCCCC(=O)O CS-0096860 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.4 CNCCCC(=O)O CS-0133777 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.4 COCCCC(=O)O CS-W001021 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [1,0,0,0,0,0|1,0,2]=4 104 B7R0.4 N#CCCCC(=O)O CS-W018817 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.4 NC(=O)COCCCl CS-0149936 [1,0,0,0,0,0|3,0,0]=4 106 B7R0.4 NCCCCC(=O)O CS-0181832 [1,0,0,0,0,0|2,0,0]=3 107 B7R0.4 NCCCCC(=O)O CS-W016594 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.4 NCCNCC(=O)O CS-W013599 [1,0,0,0,0,0|3,0,0]=4 109 B7R0.4 NCCOCC(=O)O CS-0115741 [1,0,0,0,0,0|3,0,0]=4 110 B7R0.4 NCCOCC(=O)O CS-0115743 [1,0,0,0,0,0|3,0,0]=4 111 B7R0.4 NCCOCC(=O)O CS-0127947 [1,0,0,0,0,0|3,0,0]=4 112 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|2,0,0]=3 113 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|2,0,0]=3 114 B7R0.4 O=C(O)CNCCO CS-0158315 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.4 O=C(O)COCCBr CS-0105329 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.4 O=C(O)COCCCl CS-W006556 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.4 O=C(O)COCCS CS-0115755 [1,0,0,0,0,0|3,0,0]=4 118 B7R0.4 O=C(O)COCCS CS-0115757 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.4 O=C([O-])COCCO CS-0158309 [1,0,0,0,0,0|3,0,0]=4 120 B9R0.1 COC(=O)CCCC(=O)O CS-W018239 [0,1,0,0,0,0|2,0,1]=4 121 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,1,0,0,0,0|1,0,1]=3 122 B9R0.2 C#CCCCCCC(=O)O CS-0006437 [0,1,0,0,0,0|1,0,1]=3 123 B9R0.2 C(CC)=CCCOC(C)=O CS-W016426 [0,1,0,0,0,0|0,0,2]=3 124 B9R0.2 C=CCCCCCC(=O)O CS-0147251 [0,1,0,0,0,0|1,0,1]=3 125 B9R0.2 CC(=O)OCCCCCBr CS-0006787 [0,1,0,0,0,0|1,0,0]=2 126 B9R0.2 CC(=O)OCCOCCO CS-0147717 [0,1,0,0,0,0|2,0,0]=3 127 B9R0.2 CCCCCC#CC(=O)O CS-0297443 [0,1,0,0,0,0|1,0,1]=3 128 B9R0.2 CCCCCCCC(=O)O CS-0016549 [0,1,0,0,0,0|1,0,0]=2 129 B9R0.2 CCCCCCCC(C)=O CS-0015991 [0,1,0,0,0,0|0,0,0]=1 130 B9R0.2 CCCCC\C=C\C(=O)O CS-0098436 [0,1,0,0,0,0|1,0,1]=3 131 B9R0.2 CCCNCCCN(C)C CS-0116651 [0,1,0,0,0,0|2,0,0]=3 132 B9R0.2 CN(C)CCCCCCO CS-W017749 [0,1,0,0,0,0|2,0,0]=3 133 B9R0.2 COCCOCCC(=O)O CS-0105847 [0,1,0,0,0,0|2,0,0]=3 134 B9R0.2 NCCCCCCC(=O)O CS-W002042 [0,1,0,0,0,0|1,0,0]=2 135 B9R0.2 O=C(O)CCCCCCBr CS-W007714 [0,1,0,0,0,0|1,0,0]=2 136 B9R0.2 O=C(O)CCCCCCO CS-W022546 [0,1,0,0,0,0|1,0,0]=2 137 B9R0.2 [N-]=[N+]=NCCCCC(=O)O CS-0109049 [0,1,0,0,0,0|3,0,0]=4 138 B9R0.4 CC(=O)CC(=O)NCCO CS-0138442 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.4 CCCCC(C)OC(C)=O CS-0255972 [0,1,0,0,0,0|1,0,0]=2 140 B9R0.4 CSCC[C@@H](N)CC(=O)O CS-0196593 [0,1,0,0,0,0|2,0,0]=3 141 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0062044 [0,1,0,0,0,0|2,0,0]=3 142 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0150087 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.38 CCCCCC[N+](C)(C)C CS-0152324 [0,1,0,0,0,0|2,0,0]=3 144 B9R0.38 CSCCCOS(C)(=O)=O CS-M0564 [0,1,0,0,0,0|3,0,0]=4 145 B9R0.46 C=CC(=O)OCCCCO CS-0167368 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.46 CCCCCCC(=O)CC CS-0330265 [0,1,0,0,0,0|0,0,0]=1 147 B9R0.46 CCCCCCC(=O)NN CS-0215224 [0,1,0,0,0,0|1,0,0]=2 148 B9R0.46 CCCCCCC(=O)OC CS-0182587 [0,1,0,0,0,0|0,0,0]=1 149 B9R0.46 CCCCCCC(=O)O[Na] CS-0182616 [0,1,0,0,0,0|1,0,0]=2 150 B9R0.46 CCCCCCC(O)CC CS-0199187 [0,1,0,0,0,0|0,0,2]=3 151 B9R0.46 CCCCCCC(O)CO CS-W018222 [0,1,0,0,0,0|0,0,2]=3 152 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,1,0,0,0,0|1,0,0]=2 153 B9R0.46 COC(=O)CCCCCN CS-W008066 [0,1,0,0,0,0|1,0,0]=2 154 B9R0.46 COC(=O)CCCCCO CS-0187523 [0,1,0,0,0,0|1,0,0]=2 155 B9R0.46 NCCCCNC(=O)CCl CS-0224033 [0,1,0,0,0,0|2,0,0]=3 156 B9R0.47 CCCCCC(N)C(=O)O CS-W016364 [0,1,0,0,0,0|1,0,0]=2 157 B9R0.47 CCCCCC(O)C(=O)O CS-0242197 [0,1,0,0,0,0|1,0,0]=2 158 B9R0.47 CCCCC[C@@H](N)C(=O)O CS-0152364 [0,1,0,0,0,0|1,0,0]=2 159 B9R0.47 CCCCC[C@H](N)C(=O)O CS-W018819 [0,1,0,0,0,0|1,0,0]=2 160 B9R0.47 CCSCC[C@H](N)C(=O)O CS-W017916 [0,1,0,0,0,0|2,0,0]=3 161 B9R0.47 CC[Se]CCC(N)C(=O)O CS-0640882 [0,1,0,0,0,0|2,0,0]=3 162 B9R0.47 COCCNC(C)C(=O)O CS-0641900 [0,1,0,0,0,0|3,0,0]=4 163 B9R0.47 NCCCCC(N)C(=O)O CS-0071275 [0,1,0,0,0,0|2,0,0]=3 164 B9R0.47 NCCCCC(N)C(=O)O CS-0201768 [0,1,0,0,0,0|2,0,0]=3 165 B9R0.47 NCCCCC(N)C(=O)O CS-7806 [0,1,0,0,0,0|2,0,0]=3 166 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-0016215 [0,1,0,0,0,0|2,0,0]=3 167 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-D1670 [0,1,0,0,0,0|2,0,0]=3 168 B9R0.47 NCCCC[C@H](N)C(=O)O CS-1184636 [0,1,0,0,0,0|2,0,0]=3 169 B9R0.47 NCCCC[C@H](N)C(=O)O CS-7885 [0,1,0,0,0,0|2,0,0]=3 170 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W016086 [0,1,0,0,0,0|2,0,0]=3 171 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W019758 [0,1,0,0,0,0|2,0,0]=3 172 B9R0.47 [C@@H](N)(CCSCC)C(=O)O CS-W017917 [0,1,0,0,0,0|2,0,0]=3 173 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,1,0,0,0,0|2,0,1]=4 174 B9R0.48 CCOC(=O)CCC(=O)O CS-W013313 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.48 CCOC(=O)CCC(C)=O CS-0204023 [0,1,0,0,0,0|1,0,1]=3 176 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [0,1,0,0,0,0|2,0,1]=4 177 B9R0.55 CC(=O)CCCCC(=O)O CS-W008210 [0,1,0,0,0,0|1,0,1]=3 178 B9R0.55 CC(=O)CCCOC(C)=O CS-0089169 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.55 CC(C)CCCCC(=O)O CS-0154230 [0,1,0,0,0,0|1,0,0]=2 180 B9R0.55 CN(C)CCCCC(=O)O CS-0151284 [0,1,0,0,0,0|2,0,0]=3 181 B9R0.55 CN(C)CCCCC(=O)O CS-0151285 [0,1,0,0,0,0|2,0,0]=3 182 B9R0.55 CN(C)CCCCN(C)C CS-0095543 [0,1,0,0,0,0|3,0,0]=4 183 B9R0.55 O=C(O)CCCCC(=O)O CS-W018238 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.2 CCN1CCCC(O)C1 CS-0075008 [0,0,0,1,0,0|1,0,2]=4 185 B9R1.2 CCN1CCC[C@@H](N)C1 CS-0311909 [0,0,0,1,0,0|2,0,1]=4 186 B9R1.2 CCN1CCNC(=O)C1 CS-0145869 [0,0,0,1,0,0|2,0,0]=3 187 B9R1.2 CN1CCCC(CN)C1 CS-B1372 [0,0,0,1,0,0|3,0,0]=4 188 B9R1.2 CN1CCCC(CO)C1 CS-W021353 [0,0,0,1,0,0|3,0,0]=4 189 B9R1.2 CN1CCC[C@@H](CO)C1 CS-B0137 [0,0,0,1,0,0|3,0,0]=4 190 B9R1.2 CN1CCC[C@H](CO)C1 CS-B0136 [0,0,0,1,0,0|3,0,0]=4 191 B9R1.2 COC1=CC(=O)CCC1 CS-0100011 [0,0,0,1,0,0|1,0,2]=4 192 B9R1.2 CSC1CCCC(=O)C1 CS-0237612 [0,0,0,1,0,0|1,0,0]=2 193 B9R1.2 N#CC1CCCC(=O)C1 CS-0119852 [0,0,0,1,0,0|1,0,1]=3 194 B9R1.2 NCC1CCNC(=O)C1 CS-0037079 [0,0,0,1,0,0|2,0,0]=3 195 B9R1.2 O=C1CC(CO)CCN1 CS-0051145 [0,0,0,1,0,0|2,0,0]=3 196 B9R1.2 O=C1CCCC(CO)N1 CS-0099968 [0,0,0,1,0,0|2,0,0]=3 197 B9R1.2 O=C1COCC(CO)N1 CS-W022261 [0,0,0,1,0,0|3,0,0]=4 198 B9R1.2 O=C1COC[C@H](CO)N1 CS-0146689 [0,0,0,1,0,0|3,0,0]=4 199 B9R1.6 CC(=O)C1=CCCCC1 CS-0155078 [0,0,0,1,0,0|0,0,2]=3 200 B9R1.6 CC(=O)C1CCCCC1 CS-W007597 [0,0,0,1,0,0|0,0,0]=1 201 B9R1.6 CC(=O)C1CCCNC1 CS-0212276 [0,0,0,1,0,0|1,0,0]=2 202 B9R1.6 CC(=O)C1CCNCC1 CS-W021259 [0,0,0,1,0,0|1,0,0]=2 203 B9R1.6 CC(=O)C1CCOCC1 CS-D1226 [0,0,0,1,0,0|1,0,0]=2 204 B9R1.6 CC(=O)C1CNCCO1 CS-0197640 [0,0,0,1,0,0|2,0,0]=3 205 B9R1.6 CC(=O)N1CCCCC1 CS-0155037 [0,0,0,1,0,0|1,0,0]=2 206 B9R1.6 CC(=O)N1CCNCC1 CS-W007382 [0,0,0,1,0,0|2,0,0]=3 207 B9R1.6 CC(=O)N1CCOCC1 CS-W011119 [0,0,0,1,0,0|2,0,0]=3 208 B9R1.6 CC(C)C1CCNCC1 CS-0096311 [0,0,0,1,0,0|2,0,1]=4 209 B9R1.6 CC(N)C1CCCCC1 CS-0136579 [0,0,0,1,0,0|1,0,1]=3 210 B9R1.6 CC(N)C1CCOCC1 CS-0196712 [0,0,0,1,0,0|2,0,1]=4 211 B9R1.6 CC(O)C1CCCCC1 CS-0109616 [0,0,0,1,0,0|0,0,2]=3 212 B9R1.6 CC(O)C1CCOCC1 CS-W004281 [0,0,0,1,0,0|1,0,2]=4 213 B9R1.6 CN(C)C1CCCNC1 CS-0096399 [0,0,0,1,0,0|3,0,0]=4 214 B9R1.6 CN(C)C1CCNCC1 CS-W002131 [0,0,0,1,0,0|3,0,0]=4 215 B9R1.6 CN(C)C1CCNCC1 CS-W002164 [0,0,0,1,0,0|3,0,0]=4 216 B9R1.6 CN(C)[C@H]1CCCNC1 CS-0196482 [0,0,0,1,0,0|3,0,0]=4 217 B9R1.6 CN(C)[C@H]1CCCNC1 CS-0506149 [0,0,0,1,0,0|3,0,0]=4 218 B9R1.6 C[C@@H](N)C1CCCCC1 CS-0343288 [0,0,0,1,0,0|1,0,1]=3 219 B9R1.6 C[C@@H](O)C1CCCCC1 CS-0144970 [0,0,0,1,0,0|0,0,2]=3 220 B9R1.6 C[C@H](N)C1CCCCC1 CS-0136578 [0,0,0,1,0,0|1,0,1]=3 221 B9R1.6 N=C(N)C1CCCCC1 CS-0216687 [0,0,0,1,0,0|2,0,0]=3 222 B9R1.6 NC(=O)C1CCCCC1 CS-W013481 [0,0,0,1,0,0|1,0,0]=2 223 B9R1.6 NC(=O)C1CCCCN1 CS-0306563 [0,0,0,1,0,0|2,0,0]=3 224 B9R1.6 NC(=O)C1CCCCN1 CS-W022934 [0,0,0,1,0,0|2,0,0]=3 225 B9R1.6 NC(=O)C1CCCNC1 CS-W001980 [0,0,0,1,0,0|2,0,0]=3 226 B9R1.6 NC(=O)C1CCNCC1 CS-W013464 [0,0,0,1,0,0|2,0,0]=3 227 B9R1.6 NC(=O)C1CCOCC1 CS-D1171 [0,0,0,1,0,0|2,0,0]=3 228 B9R1.6 NC(=O)C1CNCCO1 CS-0074995 [0,0,0,1,0,0|3,0,0]=4 229 B9R1.6 NC(=O)C1CNCCO1 CS-0441731 [0,0,0,1,0,0|3,0,0]=4 230 B9R1.6 NC(=O)N1CCNCC1 CS-0149933 [0,0,0,1,0,0|3,0,0]=4 231 B9R1.6 NC(=O)N1CCOCC1 CS-0144907 [0,0,0,1,0,0|3,0,0]=4 232 B9R1.6 NC(=O)[C@@H]1CCCNC1 CS-0053782 [0,0,0,1,0,0|2,0,0]=3 233 B9R1.6 NC(=S)C1CCNCC1 CS-0149953 [0,0,0,1,0,0|2,1,0]=4 234 B9R1.6 NC(=S)C1CCOCC1 CS-0460943 [0,0,0,1,0,0|2,1,0]=4 235 B9R1.6 O=C(O)C1=CCCCC1 CS-W007947 [0,0,0,1,0,0|1,0,2]=4 236 B9R1.6 O=C(O)C1CC=CCC1 CS-W011160 [0,0,0,1,0,0|1,0,2]=4 237 B9R1.6 O=C(O)C1CCCCC1 CS-D1501 [0,0,0,1,0,0|1,0,0]=2 238 B9R1.6 O=C(O)C1CCCCN1 CS-B1313 [0,0,0,1,0,0|2,0,0]=3 239 B9R1.6 O=C(O)C1CCCCO1 CS-W001872 [0,0,0,1,0,0|2,0,0]=3 240 B9R1.6 O=C(O)C1CCCNC1 CS-W020556 [0,0,0,1,0,0|2,0,0]=3 241 B9R1.6 O=C(O)C1CCCOC1 CS-W001890 [0,0,0,1,0,0|2,0,0]=3 242 B9R1.6 O=C(O)C1CCNCC1 CS-D1472 [0,0,0,1,0,0|2,0,0]=3 243 B9R1.6 O=C(O)C1CCOCC1 CS-W002155 [0,0,0,1,0,0|2,0,0]=3 244 B9R1.6 O=C(O)C1CCSCC1 CS-0045869 [0,0,0,1,0,0|2,0,0]=3 245 B9R1.6 O=C(O)C1CCSCN1 CS-0236271 [0,0,0,1,0,0|3,0,0]=4 246 B9R1.6 O=C(O)C1CNCCN1 CS-W002409 [0,0,0,1,0,0|3,0,0]=4 247 B9R1.6 O=C(O)C1CNCCN1 CS-W015473 [0,0,0,1,0,0|3,0,0]=4 248 B9R1.6 O=C(O)C1CNCCO1 CS-0067952 [0,0,0,1,0,0|3,0,0]=4 249 B9R1.6 O=C(O)C1CNCCO1 CS-0103628 [0,0,0,1,0,0|3,0,0]=4 250 B9R1.6 O=C(O)C1COCCN1 CS-0043809 [0,0,0,1,0,0|3,0,0]=4 251 B9R1.6 O=C(O)C1COCCN1 CS-W001894 [0,0,0,1,0,0|3,0,0]=4 252 B9R1.6 O=C(O)C1CSCCN1 CS-0005336 [0,0,0,1,0,0|3,0,0]=4 253 B9R1.6 O=C(O)C1CSCCN1 CS-0137001 [0,0,0,1,0,0|3,0,0]=4 254 B9R1.6 O=C(O)C1SCCCS1 CS-0646095 [0,0,0,1,0,0|3,0,0]=4 255 B9R1.6 O=C(O)N1CCCCC1 CS-0084306 [0,0,0,1,0,0|2,0,0]=3 256 B9R1.6 O=C(O)[C@@H]1CC=CCC1 CS-W018428 [0,0,0,1,0,0|1,0,2]=4 257 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,0,0,1,0,0|2,0,0]=3 258 B9R1.6 O=C(O)[C@@H]1CNCCN1 CS-B0619 [0,0,0,1,0,0|3,0,0]=4 259 B9R1.6 O=C(O)[C@@H]1CNCCO1 CS-0031402 [0,0,0,1,0,0|3,0,0]=4 260 B9R1.6 O=C(O)[C@@H]1COCCN1 CS-0043806 [0,0,0,1,0,0|3,0,0]=4 261 B9R1.6 O=C(O)[C@@H]1COCCN1 CS-W003069 [0,0,0,1,0,0|3,0,0]=4 262 B9R1.6 O=C(O)[C@@H]1COCCO1 CS-0155208 [0,0,0,1,0,0|3,0,0]=4 263 B9R1.6 O=C(O)[C@H]1CC=CCC1 CS-0021761 [0,0,0,1,0,0|1,0,2]=4 264 B9R1.6 O=C(O)[C@H]1CCCCN1 CS-0143812 [0,0,0,1,0,0|2,0,0]=3 265 B9R1.6 O=C(O)[C@H]1CCCCN1 CS-D1144 [0,0,0,1,0,0|2,0,0]=3 266 B9R1.6 O=C(O)[C@H]1CCCNC1 CS-0043826 [0,0,0,1,0,0|2,0,0]=3 267 B9R1.6 O=C(O)[C@H]1CNCCN1 CS-D1376 [0,0,0,1,0,0|3,0,0]=4 268 B9R1.6 O=C(O)[C@H]1CNCCO1 CS-0102851 [0,0,0,1,0,0|3,0,0]=4 269 B9R1.6 O=C(O)[C@H]1COCCN1 CS-0053321 [0,0,0,1,0,0|3,0,0]=4 270 B9R1.6 O=C(O)[C@H]1COCCN1 CS-W021143 [0,0,0,1,0,0|3,0,0]=4 271 B9R1.6 O=C(O)[C@H]1COCCO1 CS-0162226 [0,0,0,1,0,0|3,0,0]=4 272 B9R1.6 O=S([O-])C1CCOCC1 CS-0698469 [0,0,0,1,0,0|3,0,0]=4 273 B9R1.6 O=[N+]([O-])C1CCNCC1 CS-0162514 [0,0,0,1,0,0|3,0,0]=4 274 B9R1.6 OB(O)C1CCCCC1 CS-W007574 [0,0,0,1,0,0|2,0,1]=4 275 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 CS-W013450 [0,0,0,1,0,0|2,0,0]=3 276 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 CS-0043827 [0,0,0,1,0,0|2,0,0]=3 277 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 CS-W008123 [0,0,0,1,0,0|2,0,0]=3 278 B9R1.6 [C@H]1(C(=O)O)CCCNC1 CS-W013451 [0,0,0,1,0,0|2,0,0]=3 279 B9R1.6 [C@H]1(C(=O)O)CNCCO1 CS-W006279 [0,0,0,1,0,0|3,0,0]=4 280 B9R1.7 CCCC1CNC(=O)C1 CS-0061478 [0,0,0,1,0,0|1,0,0]=2 281 B9R1.7 CCCC1COC(=O)O1 CS-0134586 [0,0,0,1,0,0|2,0,0]=3 282 B9R1.7 CCC[C@@H]1COC(=O)C1 CS-0188536 [0,0,0,1,0,0|1,0,0]=2 283 B9R1.7 CCOC1=CC(=O)CC1 CS-0039741 [0,0,0,1,0,0|1,0,2]=4 284 B9R1.13 CC(=O)CC1CCCC1 CS-0134561 [0,0,0,1,0,0|0,0,0]=1 285 B9R1.13 CC(=O)OC1CCCO1 CS-0160246 [0,0,0,1,0,0|2,0,0]=3 286 B9R1.13 CN(C)C[C@@H]1CCCN1 CS-0049613 [0,0,0,1,0,0|3,0,0]=4 287 B9R1.13 NC(=O)NC1CCCC1 CS-0062148 [0,0,0,1,0,0|2,0,0]=3 288 B9R1.13 O=C(O)CC1C=CCC1 CS-0147114 [0,0,0,1,0,0|1,0,2]=4 289 B9R1.13 O=C(O)CC1CCCC1 CS-W007405 [0,0,0,1,0,0|1,0,0]=2 290 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [0,0,0,1,0,0|2,0,0]=3 291 B9R1.13 O=C(O)CC1CCCO1 CS-0076866 [0,0,0,1,0,0|2,0,0]=3 292 B9R1.13 O=C(O)CC1CCNC1 CS-0052205 [0,0,0,1,0,0|2,0,0]=3 293 B9R1.13 O=C(O)CC1CCOC1 CS-W005250 [0,0,0,1,0,0|2,0,0]=3 294 B9R1.13 O=C(O)CN1CCCC1 CS-W004008 [0,0,0,1,0,0|2,0,0]=3 295 B9R1.13 O=C(O)CN1CCCC1 CS-W020371 [0,0,0,1,0,0|2,0,0]=3 296 B9R1.13 O=C(O)C[C@@H]1CCCN1 CS-0035426 [0,0,0,1,0,0|2,0,0]=3 297 B9R1.13 O=C(O)C[C@@H]1CCNC1 CS-0052117 [0,0,0,1,0,0|2,0,0]=3 298 B9R1.13 O=C(O)C[C@@H]1CCOC1 CS-0155206 [0,0,0,1,0,0|2,0,0]=3 299 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [0,0,0,1,0,0|2,0,0]=3 300 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0035825 [0,0,0,1,0,0|2,0,0]=3 301 B9R1.13 OB(O)CC1CCCC1 CS-0243064 [0,0,0,1,0,0|2,0,1]=4 302 B9R1.13 [C@@H]1(CC(=O)O)CCCN1 CS-W010817 [0,0,0,1,0,0|2,0,0]=3 303 B9R1.41 CC(=O)C1CCCC1=O CS-W011158 [0,0,0,1,0,0|1,0,1]=3 304 B9R1.41 CC(=O)N1CCCC1=O CS-0186313 [0,0,0,1,0,0|2,0,1]=4 305 B9R1.41 CC1CCCC1C(=O)O CS-0047145 [0,0,0,1,0,0|1,0,0]=2 306 B9R1.41 CC1CNCC1C(=O)O CS-0460956 [0,0,0,1,0,0|2,0,0]=3 307 B9R1.41 CN1CCCC1C(=O)O CS-B1576 [0,0,0,1,0,0|2,0,0]=3 308 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001861 [0,0,0,1,0,0|2,0,0]=3 309 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,0,0,1,0,0|2,0,0]=3 310 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,0,0,1,0,0|2,0,0]=3 311 B9R1.41 CN1CCC[C@H]1C(N)=O CS-0162641 [0,0,0,1,0,0|2,0,0]=3 312 B9R1.41 CN1CSCC1C(=O)O CS-0597627 [0,0,0,1,0,0|3,0,0]=4 313 B9R1.41 C[C@H](O)[C@@H]1CCCN1C CS-0159084 [0,0,0,1,0,0|1,0,2]=4 314 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CS-0120592 [0,0,0,1,0,0|2,0,0]=3 315 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O CS-0130164 [0,0,0,1,0,0|2,0,0]=3 316 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-0130633 [0,0,0,1,0,0|2,0,0]=3 317 B9R1.41 O=C(O)C1NCCC1O CS-0465857 [0,0,0,1,0,0|3,0,0]=4 318 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CS-0058698 [0,0,0,1,0,0|3,0,0]=4 319 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-0184644 [0,0,0,1,0,0|3,0,0]=4 320 B9R1.41 [C@H]1(O)CCN[C@@H]1C(=O)O CS-W006575 [0,0,0,1,0,0|3,0,0]=4 321 B9R1.48 O=C1CCCCC(=O)C1 CS-W002860 [0,0,0,1,0,0|1,0,1]=3 322 B9R1.48 O=C1CCCCC(=O)O1 CS-W019642 [0,0,0,1,0,0|2,0,1]=4 323 B9R1.50 NC1CCCCCCC1 CS-0155298 [0,0,0,1,0,0|1,0,1]=3 324 B9R1.50 O=C1CCCCCCC1 CS-W007564 [0,0,0,1,0,0|0,0,0]=1 325 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,0,0,1,0,0|1,0,0]=2 326 B9R1.83 CCCCCCC1CO1 CS-0152296 [0,0,0,1,0,0|0,0,2]=3 327 B9R1.84 O=C(O)CCC1CCC1 CS-0060765 [0,0,0,1,0,0|1,0,0]=2 328 B6R0.6 BrCCCCCBr CS-W019956 [2,0,0,0,0,0|2,0,0]=4 329 B6R0.6 C=CCCCCBr CS-W008939 [2,0,0,0,0,0|1,0,1]=4 330 B6R0.6 C=CCCCCN CS-0210385 [2,0,0,0,0,0|1,0,1]=4 331 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|1,0,1]=4 332 B6R0.6 CCCCCCI CS-0132388 [2,0,0,0,0,0|1,0,0]=3 333 B6R0.6 CCCCCCN CS-0196786 [2,0,0,0,0,0|1,0,0]=3 334 B6R0.6 CCCNCCC CS-0187381 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.6 CCCNCCC CS-0214120 [2,0,0,0,0,0|1,0,0]=3 336 B6R0.6 CCCNCCO CS-0105782 [2,0,0,0,0,0|1,0,1]=4 337 B6R0.6 CCCOCCCl CS-0200392 [2,0,0,0,0,0|2,0,0]=4 338 B6R0.6 CCC\C=C\C=O CS-0099263 [2,0,0,0,0,0|0,0,2]=4 339 B6R0.6 CCNCCCN CS-0151962 [2,0,0,0,0,0|2,0,0]=4 340 B6R0.6 CCOCCCO CS-W013685 [2,0,0,0,0,0|1,0,1]=4 341 B6R0.6 CNCCCCBr CS-0163109 [2,0,0,0,0,0|2,0,0]=4 342 B6R0.6 CNCCCCO CS-W006493 [2,0,0,0,0,0|1,0,1]=4 343 B6R0.6 COCCCCBr CS-W021313 [2,0,0,0,0,0|2,0,0]=4 344 B6R0.6 COCCCCCl CS-0039726 [2,0,0,0,0,0|2,0,0]=4 345 B6R0.6 COCCCCO CS-0150179 [2,0,0,0,0,0|1,0,1]=4 346 B6R0.6 CSCCCCO CS-0204406 [2,0,0,0,0,0|1,0,1]=4 347 B6R0.6 ClCCCCCBr CS-W016940 [2,0,0,0,0,0|2,0,0]=4 348 B6R0.6 ClCCCCCI CS-0135342 [2,0,0,0,0,0|2,0,0]=4 349 B6R0.6 FCCCCCBr CS-W005161 [2,0,0,0,0,0|2,0,0]=4 350 B6R0.6 ICCCCCI CS-0041009 [2,0,0,0,0,0|2,0,0]=4 351 B6R0.6 NCCCCCBr CS-0006784 [2,0,0,0,0,0|2,0,0]=4 352 B6R0.6 NCCCCCN CS-W017466 [2,0,0,0,0,0|2,0,0]=4 353 B6R0.6 NCCCCCO CS-W013687 [2,0,0,0,0,0|1,0,1]=4 354 B6R0.6 OCCCCCBr CS-0905394 [2,0,0,0,0,0|1,0,1]=4 355 B6R0.6 OCCCCCBr CS-W007393 [2,0,0,0,0,0|1,0,1]=4 356 B6R0.6 OCCCCCCl CS-0095410 [2,0,0,0,0,0|1,0,1]=4 357 B6R0.6 OCCCCCI CS-0252955 [2,0,0,0,0,0|1,0,1]=4 358 B6R0.6 OCCCCCO CS-W020635 [2,0,0,0,0,0|1,0,1]=4 359 B6R0.4 CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|1,0,0]=3 360 B6R0.4 CC(=O)CCCO CS-0020001 [2,0,0,0,0,0|1,0,0]=3 361 B6R0.4 CC(=O)NCCO CS-W013689 [2,0,0,0,0,0|2,0,0]=4 362 B6R0.4 CC(=O)OCCBr CS-W007598 [2,0,0,0,0,0|2,0,0]=4 363 B6R0.4 CC(=O)OCCN CS-0657679 [2,0,0,0,0,0|2,0,0]=4 364 B6R0.4 CC(=O)OCCO CS-0154995 [2,0,0,0,0,0|2,0,0]=4 365 B6R0.4 CCCCC(=N)N CS-0122242 [2,0,0,0,0,0|2,0,0]=4 366 B6R0.4 CCCCC(N)=S CS-0248646 [2,0,0,0,0,0|1,1,0]=4 367 B6R0.4 CCCCS(=O)[O-] CS-0851776 [2,0,0,0,0,0|2,0,0]=4 368 B6R0.4 CCCC[C@@H](C)O CS-0179419 [2,0,0,0,0,0|0,0,2]=4 369 B6R0.4 CCCC[C@H](C)O CS-0179420 [2,0,0,0,0,0|0,0,2]=4 370 B6R0.4 CCCNC(C)=O CS-0246738 [2,0,0,0,0,0|1,0,0]=3 371 B6R0.4 CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4 372 B6R0.4 CCNCC(=O)O CS-0201673 [2,0,0,0,0,0|2,0,0]=4 373 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|2,0,0]=4 374 B6R0.4 CCSCC(=O)O CS-0197336 [2,0,0,0,0,0|2,0,0]=4 375 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|2,0,0]=4 376 B6R0.4 CNCCC(=O)O CS-0169148 [2,0,0,0,0,0|2,0,0]=4 377 B6R0.4 CNCCC(N)=O CS-0214971 [2,0,0,0,0,0|2,0,0]=4 378 B6R0.4 COCCC(=O)O CS-W009112 [2,0,0,0,0,0|2,0,0]=4 379 B6R0.4 CS(=O)CCCN CS-0286765 [2,0,0,0,0,0|2,0,0]=4 380 B6R0.4 CSCCC(=O)O CS-6296 [2,0,0,0,0,0|2,0,0]=4 381 B6R0.4 CSCCC(C)=O CS-0206726 [2,0,0,0,0,0|1,0,0]=3 382 B6R0.4 NCCCC(=O)O CS-W020704 [2,0,0,0,0,0|2,0,0]=4 383 B6R0.4 NCCCC(N)=O CS-0103894 [2,0,0,0,0,0|2,0,0]=4 384 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|2,0,0]=4 385 B6R0.4 O=C(O)CCCCl CS-W013545 [2,0,0,0,0,0|2,0,0]=4 386 B8R0.1 CCCCC(O)CCC CS-0362569 [1,1,0,0,0,0|0,0,1]=3 387 B8R0.4 BrCCCCCCCBr CS-W010166 [1,1,0,0,0,0|1,0,1]=4 388 B8R0.4 C#CCCCCCCBr CS-0648097 [1,1,0,0,0,0|0,0,2]=4 389 B8R0.4 C#CCCCCCCO CS-W008554 [1,1,0,0,0,0|0,0,2]=4 390 B8R0.4 C=CCCCCCCBr CS-W010733 [1,1,0,0,0,0|0,0,1]=3 391 B8R0.4 C=CCCCCCCO CS-0185603 [1,1,0,0,0,0|0,0,1]=3 392 B8R0.4 CCCCCCCC=O CS-0138976 [1,1,0,0,0,0|0,0,0]=2 393 B8R0.4 CCCCCCCCBr CS-0076039 [1,1,0,0,0,0|0,0,1]=3 394 B8R0.4 CCCCCCCCI CS-0188391 [1,1,0,0,0,0|0,0,1]=3 395 B8R0.4 CCCCCCCCN CS-0076038 [1,1,0,0,0,0|0,0,1]=3 396 B8R0.4 CCCCCCCCN CS-0179378 [1,1,0,0,0,0|0,0,1]=3 397 B8R0.4 CCCCCCCCO CS-0076037 [1,1,0,0,0,0|0,0,1]=3 398 B8R0.4 CCCCC\C=C\C=O CS-0200283 [1,1,0,0,0,0|0,0,1]=3 399 B8R0.4 CCCCC\C=C\CO CS-0152366 [1,1,0,0,0,0|0,0,1]=3 400 B8R0.4 CCCCOCCCN CS-0130475 [1,1,0,0,0,0|1,0,1]=4 401 B8R0.4 CCCCSCCCC CS-0255960 [1,1,0,0,0,0|0,0,1]=3 402 B8R0.4 COCCNCCOC CS-D1692 [1,1,0,0,0,0|2,0,0]=4 403 B8R0.4 COCCOCCOC CS-0017205 [1,1,0,0,0,0|2,0,0]=4 404 B8R0.4 COCCOCCOC CS-0099019 [1,1,0,0,0,0|2,0,0]=4 405 B8R0.4 NCCCCCCCN CS-W009537 [1,1,0,0,0,0|1,0,1]=4 406 B8R0.4 NCCCCCCCO CS-0088962 [1,1,0,0,0,0|0,0,2]=4 407 B8R0.4 OCCCCCCCBr CS-W008425 [1,1,0,0,0,0|0,0,2]=4 408 B8R0.4 OCCCCCCCO CS-W013404 [1,1,0,0,0,0|0,0,2]=4 409 B8R0.6 C#CC(O)CCCCC CS-W011154 [1,1,0,0,0,0|0,0,2]=4 410 B8R0.6 C=CC(=O)CCCCC CS-0168504 [1,1,0,0,0,0|0,0,2]=4 411 B8R0.6 C=CC(O)CCCCC CS-W011126 [1,1,0,0,0,0|0,0,1]=3 412 B8R0.6 CCCCCC(O)CC CS-0152331 [1,1,0,0,0,0|0,0,1]=3 413 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [1,1,0,0,0,0|0,0,1]=3 414 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [1,1,0,0,0,0|1,0,0]=3 415 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [1,1,0,0,0,0|1,0,0]=3 416 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [1,1,0,0,0,0|1,0,1]=4 417 B8R0.5 COCC(C)OC(C)=O CS-0198137 [1,1,0,0,0,0|2,0,0]=4 418 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [1,1,0,0,0,0|1,0,1]=4 419 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [1,1,0,0,0,0|1,0,0]=3 420 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [1,1,0,0,0,0|1,0,0]=3 421 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [1,1,0,0,0,0|1,0,0]=3 422 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [1,1,0,0,0,0|1,0,0]=3 423 B8R0.8 CSCCC(N)C(=O)O CS-0008889 [1,1,0,0,0,0|2,0,0]=4 424 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [1,1,0,0,0,0|2,0,0]=4 425 B8R0.8 CSCC[C@@H](N)C(=O)O CS-7880 [1,1,0,0,0,0|2,0,0]=4 426 B8R0.8 CSCC[C@H](N)C(=O)O CS-W020566 [1,1,0,0,0,0|2,0,0]=4 427 B8R0.8 CSCC[C@H](N)C(N)=O CS-W016972 [1,1,0,0,0,0|2,0,0]=4 428 B8R0.8 C[Se]CCC(N)C(=O)O CS-4494 [1,1,0,0,0,0|2,0,0]=4 429 B8R0.8 C[Se]CC[C@H](N)C(=O)O CS-5178 [1,1,0,0,0,0|2,0,0]=4 430 B8R0.8 NCCCC(N)C(=O)O CS-0136494 [1,1,0,0,0,0|2,0,0]=4 431 B8R0.8 NCCC[C@@H](N)C(=O)O CS-0020076 [1,1,0,0,0,0|2,0,0]=4 432 B8R0.8 NCCC[C@H](N)C(=O)O CS-0159620 [1,1,0,0,0,0|2,0,0]=4 433 B8R0.8 NCCC[C@H](N)C(=O)O CS-4817 [1,1,0,0,0,0|2,0,0]=4 434 B8R0.8 [C@H](N)(CCCN)C(=O)O CS-W017734 [1,1,0,0,0,0|2,0,0]=4 435 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [1,1,0,0,0,0|1,0,1]=4 436 B8R0.21 CCCCOS(C)(=O)=O CS-W018582 [1,1,0,0,0,0|2,0,0]=4 437 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [1,1,0,0,0,0|0,0,2]=4 438 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [1,1,0,0,0,0|1,0,1]=4 439 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [1,1,0,0,0,0|0,0,0]=2 440 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [1,1,0,0,0,0|0,0,2]=4 441 B8R0.28 CC(C)=CCC[C@@H](C)O CS-0726318 [1,1,0,0,0,0|1,0,1]=4 442 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [1,1,0,0,0,0|2,0,0]=4 443 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [1,1,0,0,0,0|1,0,0]=3 444 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [1,1,0,0,0,0|2,0,0]=4 445 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [1,1,0,0,0,0|2,0,0]=4 446 B10R0.3 CC(C)=CCCC(C)CCO CS-W010917 [0,2,0,0,0,0|1,0,1]=4 447 B10R0.3 CC(C)=CCC[C@H](C)CCO CS-W016231 [0,2,0,0,0,0|1,0,1]=4 448 B10R0.3 CC(C)CCCC(C)CCBr CS-W014739 [0,2,0,0,0,0|1,0,1]=4 449 B10R0.3 CC(C)CCCC(C)CCO CS-W010892 [0,2,0,0,0,0|1,0,1]=4 450 B10R0.3 CC(C)CCC[C@H](C)CCO CS-0695932 [0,2,0,0,0,0|1,0,1]=4 451 B10R0.3 CCCC(=O)CCCC(=O)O CS-0323350 [0,2,0,0,0,0|1,0,0]=3 452 B10R0.3 CCOC(=O)CCCC(=O)O CS-0151584 [0,2,0,0,0,0|1,0,1]=4 453 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,2,0,0,0,0|0,0,1]=3 454 B10R0.59 COC(=O)CCCC(=O)OC CS-0130885 [0,2,0,0,0,0|1,0,1]=4 455 B10R0.65 CCC(C)(O)CCC=C(C)C CS-W010918 [0,2,0,0,0,0|1,0,1]=4 456 B10R0.82 NCC(O)CCC(N)C(=O)O CS-W015646 [0,2,0,0,0,0|2,0,0]=4 457 B10R0.4 C#CCCCCCCC(=O)O CS-0131147 [0,2,0,0,0,0|1,0,0]=3 458 B10R0.4 CC(=O)SCCCCCCN CS-0437379 [0,2,0,0,0,0|0,0,0]=2 459 B10R0.4 CCCCCCCCC(=O)O CS-0076036 [0,2,0,0,0,0|1,0,0]=3 460 B10R0.4 CCCCOCCOC(C)=O CS-0198135 [0,2,0,0,0,0|0,0,0]=2 461 B10R0.4 NCCCCCCCC(=O)O CS-0661652 [0,2,0,0,0,0|1,0,0]=3 462 B10R0.4 NCCCCCCCC(=O)O CS-W019464 [0,2,0,0,0,0|1,0,0]=3 463 B10R0.4 NCCOCCOCC(=O)O CS-0097751 [0,2,0,0,0,0|2,0,0]=4 464 B10R0.4 NCCOCCOCC(=O)O CS-1038769 [0,2,0,0,0,0|2,0,0]=4 465 B10R0.4 NCCOCCOCC(=O)O CS-1038779 [0,2,0,0,0,0|2,0,0]=4 466 B10R0.4 NCCOCCOCC(=O)O CS-1038786 [0,2,0,0,0,0|2,0,0]=4 467 B10R0.4 NCCOCCOCC(=O)O CS-1038791 [0,2,0,0,0,0|2,0,0]=4 468 B10R0.4 NCCOCCOCC(=O)O CS-W006524 [0,2,0,0,0,0|2,0,0]=4 469 B10R0.4 O=C(O)CCCCCCCBr CS-W007700 [0,2,0,0,0,0|1,0,0]=3 470 B10R0.4 O=C(O)CCCCCCCO CS-0187285 [0,2,0,0,0,0|1,0,0]=3 471 B10R0.4 O=C(O)COCCOCCCl CS-0046441 [0,2,0,0,0,0|2,0,0]=4 472 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O CS-0181306 [0,2,0,0,0,0|2,0,0]=4 473 B10R0.6 NCCCC[C@H](N)CC(=O)O CS-0201780 [0,2,0,0,0,0|1,0,0]=3 474 B10R0.22 CCCCCCOS(C)(=O)=O CS-0099480 [0,2,0,0,0,0|1,0,0]=3 475 B10R0.55 COC(=O)CCCCC(=O)O CS-W017938 [0,2,0,0,0,0|1,0,1]=4 476 B10R0.55 COC(=O)CCCCC(C)=O CS-W022881 [0,2,0,0,0,0|0,0,1]=3 477 B10R0.74 C=CC(=O)OCCCCCC CS-0167366 [0,2,0,0,0,0|0,0,1]=3 478 B10R0.74 CCCCCC#CC(=O)OC CS-W014292 [0,2,0,0,0,0|0,0,1]=3 479 B10R0.74 CCCCCCCC(=O)NN CS-W002067 [0,2,0,0,0,0|1,0,0]=3 480 B10R0.74 CCCCCCCC(=O)NO CS-W001857 [0,2,0,0,0,0|1,0,0]=3 481 B10R0.74 CCCCCCCC(=O)OC CS-0128781 [0,2,0,0,0,0|0,0,0]=2 482 B10R0.74 CCCCCCCC(=O)O[Na] CS-W016055 [0,2,0,0,0,0|1,0,0]=3 483 B10R0.74 CCCCC\C=C\C(=O)OC CS-0097187 [0,2,0,0,0,0|0,0,1]=3 484 B10R0.74 COC(=O)CCCCCCBr CS-W004688 [0,2,0,0,0,0|0,0,0]=2 485 B10R0.74 COC(=O)CCCCCCN CS-W004807 [0,2,0,0,0,0|0,0,0]=2 486 B10R0.74 COC(=O)CCCCCCO CS-0059718 [0,2,0,0,0,0|0,0,0]=2 487 B10R0.75 C=C(C)C(=O)OCCOCC CS-0167821 [0,2,0,0,0,0|2,0,0]=4 488 B10R0.75 CCCCCCC(N)C(=O)O CS-W016177 [0,2,0,0,0,0|1,0,0]=3 489 B10R0.75 CCCCCCC(O)C(=O)O CS-W016160 [0,2,0,0,0,0|1,0,0]=3 490 B10R0.75 CCCCCC[C@@H](N)C(=O)O CS-0152326 [0,2,0,0,0,0|1,0,0]=3 491 B10R0.75 N[C@@H](CSCCCO)C(=O)O CS-2479 [0,2,0,0,0,0|2,0,0]=4 492 B10R0.75 [C@H](N)(CCCCCC)C(=O)O CS-W006364 [0,2,0,0,0,0|1,0,0]=3 493 B10R0.78 CCCCC(C)CCC(=O)O CS-W010894 [0,2,0,0,0,0|1,0,0]=3 494 B10R0.97 CC(=O)CCCCCC(=O)O CS-0046839 [0,2,0,0,0,0|0,0,1]=3 495 B10R0.97 O=C(O)CCCCCC(=O)O CS-W019990 [0,2,0,0,0,0|1,0,1]=4 496 B10R0.18 CCCCC(=O)CC(=O)OC CS-0152392 [0,2,0,0,0,0|0,0,1]=3 497 B10R0.18 CCOCC(=O)CC(=O)OC CS-0043415 [0,2,0,0,0,0|1,0,1]=4 498 B10R0.18 COCCC(=O)CC(=O)OC CS-0187518 [0,2,0,0,0,0|1,0,1]=4 499 B10R0.62 CCCCCCS(=O)(=O)O[Na] CS-W016807 [0,2,0,0,0,0|2,0,0]=4 500 B10R0.1 C=CCCCCC(=O)OCC CS-0159602 [0,2,0,0,0,0|0,0,2]=4 501 B10R0.1 CCCCCCC(=O)OCC CS-W010893 [0,2,0,0,0,0|0,0,0]=2 502 B10R0.1 CCCCCCC(O)CCC CS-0320716 [0,2,0,0,0,0|0,0,2]=4 503 B10R0.1 CCOC(=O)CCCCCBr CS-W022710 [0,2,0,0,0,0|1,0,0]=3 504 B10R0.1 CCOC(=O)CCCCCO CS-W023138 [0,2,0,0,0,0|1,0,0]=3 505 B10R0.1 CCOC(=O)COCCCCl CS-0163231 [0,2,0,0,0,0|2,0,0]=4 506 B10R0.1 CCOCCCC(=O)OCC CS-0904341 [0,2,0,0,0,0|1,0,0]=3 507 B10R0.83 CCCCC[C@H](N)C(=O)NC CS-0310534 [0,2,0,0,0,0|0,0,0]=2 508 B10R0.83 COC(=O)C(N)CCCCN CS-0201761 [0,2,0,0,0,0|1,0,0]=3 509 B10R0.83 COC(=O)[C@H](N)CCCCN CS-W016710 [0,2,0,0,0,0|1,0,0]=3 510 B10R0.83 [C@H](N)(CCCCN)C(=O)OC CS-W010347 [0,2,0,0,0,0|1,0,0]=3 511 B8R1.2 BrCC1CCCCC1 CS-W007517 [1,0,0,1,0,0|1,0,1]=4 512 B8R1.2 C#CC1CCCCC1 CS-W022720 [1,0,0,1,0,0|0,0,2]=4 513 B8R1.2 CCC1CCNCC1 CS-0147296 [1,0,0,1,0,0|1,0,1]=4 514 B8R1.2 CCC1CNCCN1 CS-D0270 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.2 CCC1CNCCO1 CS-0080681 [1,0,0,1,0,0|2,0,0]=4 516 B8R1.2 CCC1COCCN1 CS-0059261 [1,0,0,1,0,0|2,0,0]=4 517 B8R1.2 CC[C@@H]1CNCCO1 CS-0096526 [1,0,0,1,0,0|2,0,0]=4 518 B8R1.2 CC[C@@H]1COCCN1 CS-0146937 [1,0,0,1,0,0|2,0,0]=4 519 B8R1.2 CC[C@@H]1COCCN1 CS-0146943 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.2 CC[C@H]1CNCCO1 CS-0100795 [1,0,0,1,0,0|2,0,0]=4 522 B8R1.2 CC[C@H]1COCCN1 CS-0146945 [1,0,0,1,0,0|2,0,0]=4 523 B8R1.2 CNC1CCCNC1 CS-W016863 [1,0,0,1,0,0|2,0,0]=4 524 B8R1.2 CNC1CCNCC1 CS-0048783 [1,0,0,1,0,0|2,0,0]=4 525 B8R1.2 CNC1CCOCC1 CS-D1570 [1,0,0,1,0,0|2,0,0]=4 526 B8R1.2 COC1CCCCO1 CS-0197358 [1,0,0,1,0,0|2,0,0]=4 527 B8R1.2 COC1CCCNC1 CS-0051284 [1,0,0,1,0,0|2,0,0]=4 528 B8R1.2 COC1CCCNC1 CS-0150202 [1,0,0,1,0,0|2,0,0]=4 529 B8R1.2 COC1CCNCC1 CS-0040128 [1,0,0,1,0,0|2,0,0]=4 530 B8R1.2 COC1CCNCC1 CS-W005038 [1,0,0,1,0,0|2,0,0]=4 531 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [1,0,0,1,0,0|2,0,0]=4 532 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [1,0,0,1,0,0|2,0,0]=4 533 B8R1.2 CSC1CCNCC1 CS-0051141 [1,0,0,1,0,0|2,0,0]=4 534 B8R1.2 FCC1CCCNC1 CS-W001354 [1,0,0,1,0,0|2,0,0]=4 535 B8R1.2 ICC1CCCCC1 CS-0155327 [1,0,0,1,0,0|1,0,1]=4 536 B8R1.2 N#CC1CCCCC1 CS-W019522 [1,0,0,1,0,0|1,0,1]=4 537 B8R1.2 NCC1CCCNC1 CS-0028231 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.2 NCC1CCCOC1 CS-0048770 [1,0,0,1,0,0|2,0,0]=4 539 B8R1.2 NNC1CCCCC1 CS-W007595 [1,0,0,1,0,0|2,0,0]=4 540 B8R1.2 O=CC1CCNCC1 CS-0171609 [1,0,0,1,0,0|1,0,0]=3 541 B8R1.2 O=CC1CCOCC1 CS-D1228 [1,0,0,1,0,0|1,0,0]=3 542 B8R1.2 O=CC1CCSCC1 CS-0199595 [1,0,0,1,0,0|1,0,0]=3 543 B8R1.2 O=CN1CCCCC1 CS-W016610 [1,0,0,1,0,0|1,0,0]=3 544 B8R1.2 O=CN1CCNCC1 CS-W016606 [1,0,0,1,0,0|2,0,0]=4 545 B8R1.2 O=CN1CCOCC1 CS-W016603 [1,0,0,1,0,0|2,0,0]=4 546 B8R1.2 OCC1CC=CCC1 CS-W013655 [1,0,0,1,0,0|1,0,1]=4 547 B8R1.2 OCC1CCCCC1 CS-W011242 [1,0,0,1,0,0|0,0,2]=4 548 B8R1.2 OCC1CCCNC1 CS-W001981 [1,0,0,1,0,0|2,0,0]=4 549 B8R1.2 OCC1CCCOC1 CS-D0478 [1,0,0,1,0,0|2,0,0]=4 550 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [1,0,0,1,0,0|2,0,0]=4 551 B8R1.2 OC[C@@H]1CCCNC1 CS-W018674 [1,0,0,1,0,0|2,0,0]=4 552 B8R1.2 OC[C@H]1CCCNC1 CS-0133006 [1,0,0,1,0,0|2,0,0]=4 553 B8R1.2 OC[C@H]1CCCNC1 CS-W019674 [1,0,0,1,0,0|2,0,0]=4 554 B8R1.2 ONC1CCCCC1 CS-0155321 [1,0,0,1,0,0|1,0,1]=4 555 B8R1.5 CC1=NCCCN1C CS-W021273 [1,0,0,1,0,0|2,0,0]=4 556 B8R1.5 CC1CCCCC1N CS-W013646 [1,0,0,1,0,0|1,0,1]=4 557 B8R1.5 CC1CCCNC1=O CS-0186670 [1,0,0,1,0,0|1,0,0]=3 558 B8R1.5 CC1CNCCC1=O CS-D0046 [1,0,0,1,0,0|1,0,0]=3 559 B8R1.5 CC1CNCCC1=O CS-D0300 [1,0,0,1,0,0|1,0,0]=3 560 B8R1.5 CC1CNCCN1C CS-W005051 [1,0,0,1,0,0|2,0,0]=4 561 B8R1.5 CC1COCCC1=O CS-W003860 [1,0,0,1,0,0|1,0,0]=3 562 B8R1.5 CC1NCCNC1=O CS-0046850 [1,0,0,1,0,0|2,0,0]=4 563 B8R1.5 CN1CCCNC1=O CS-0068150 [1,0,0,1,0,0|2,0,0]=4 564 B8R1.5 CN1CCNCC1=O CS-0052424 [1,0,0,1,0,0|2,0,0]=4 565 B8R1.5 CN1CCNCC1=O CS-D0697 [1,0,0,1,0,0|2,0,0]=4 566 B8R1.5 CN1CCOCC1=O CS-0145226 [1,0,0,1,0,0|2,0,0]=4 567 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [1,0,0,1,0,0|1,0,1]=4 568 B8R1.5 C[C@@H]1CNCCN1C CS-0006864 [1,0,0,1,0,0|2,0,0]=4 569 B8R1.5 C[C@@H]1CNCCN1C CS-0053508 [1,0,0,1,0,0|2,0,0]=4 570 B8R1.5 C[C@@H]1NCCNC1=O CS-0130514 [1,0,0,1,0,0|2,0,0]=4 571 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [1,0,0,1,0,0|1,0,1]=4 572 B8R1.5 C[C@H]1CNCCN1C CS-0006863 [1,0,0,1,0,0|2,0,0]=4 573 B8R1.5 C[C@H]1CNCCN1C CS-0053455 [1,0,0,1,0,0|2,0,0]=4 574 B8R1.5 C[C@H]1NCCNC1=O CS-0042202 [1,0,0,1,0,0|2,0,0]=4 575 B8R1.5 NC1CCCCC1=O CS-0099232 [1,0,0,1,0,0|1,0,0]=3 576 B8R1.5 NC1CCCNC1=O CS-D0182 [1,0,0,1,0,0|2,0,0]=4 577 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [1,0,0,1,0,0|2,0,0]=4 578 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [1,0,0,1,0,0|2,0,0]=4 579 B8R1.5 O=C1CCCCC1=O CS-W007347 [1,0,0,1,0,0|1,0,1]=4 580 B8R1.5 O=C1CCCCC1Cl CS-W013402 [1,0,0,1,0,0|1,0,0]=3 581 B8R1.5 O=C1CCCCC1O CS-0262973 [1,0,0,1,0,0|1,0,0]=3 582 B8R1.5 O=C1CCNCC1F CS-0044438 [1,0,0,1,0,0|2,0,0]=4 583 B8R1.5 O=C1CCOCC1Br CS-0039271 [1,0,0,1,0,0|2,0,0]=4 584 B8R1.5 O=C1CCOCC1F CS-0051355 [1,0,0,1,0,0|2,0,0]=4 585 B8R1.5 O=C1NCCCC1O CS-W008630 [1,0,0,1,0,0|2,0,0]=4 586 B8R1.8 CCO[C@@H]1CCNC1 CS-0053329 [1,0,0,1,0,0|2,0,0]=4 587 B8R1.8 CNCC1CCCN1 CS-0162490 [1,0,0,1,0,0|2,0,0]=4 588 B8R1.8 CNCC1CCOC1 CS-0048865 [1,0,0,1,0,0|2,0,0]=4 589 B8R1.8 CNC[C@@H]1CCCN1 CS-0162015 [1,0,0,1,0,0|2,0,0]=4 590 B8R1.8 COCC1CCNC1 CS-0058668 [1,0,0,1,0,0|2,0,0]=4 591 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [1,0,0,1,0,0|2,0,0]=4 592 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [1,0,0,1,0,0|2,0,0]=4 593 B8R1.8 N#CCC1CCCC1 CS-0060786 [1,0,0,1,0,0|1,0,1]=4 594 B8R1.8 NCCC1CCCC1 CS-W006125 [1,0,0,1,0,0|1,0,1]=4 595 B8R1.8 OCCC1CCCC1 CS-0055010 [1,0,0,1,0,0|0,0,2]=4 596 B8R1.8 OCCC1CCOC1 CS-0240119 [1,0,0,1,0,0|2,0,0]=4 597 B8R1.11 CCC1CCCC1=O CS-0152470 [1,0,0,1,0,0|0,0,0]=2 598 B8R1.11 CCN1CCCC1=O CS-W013650 [1,0,0,1,0,0|1,0,0]=3 599 B8R1.11 CN1CCCC1CN CS-0128646 [1,0,0,1,0,0|2,0,0]=4 600 B8R1.11 CN1CCCC1CO CS-W019511 [1,0,0,1,0,0|2,0,0]=4 601 B8R1.11 CN1CCC[C@@H]1CN CS-0053069 [1,0,0,1,0,0|2,0,0]=4 602 B8R1.11 CN1CCC[C@@H]1CO CS-W003381 [1,0,0,1,0,0|2,0,0]=4 603 B8R1.11 CN1CCC[C@H]1CBr CS-0112933 [1,0,0,1,0,0|2,0,0]=4 604 B8R1.11 CN1CCC[C@H]1CN CS-0053063 [1,0,0,1,0,0|2,0,0]=4 605 B8R1.11 CN1CCC[C@H]1CN CS-0128648 [1,0,0,1,0,0|2,0,0]=4 606 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [1,0,0,1,0,0|2,0,0]=4 607 B8R1.11 N#CC1CCCC1=O CS-W005103 [1,0,0,1,0,0|1,0,1]=4 608 B8R1.11 O=C1CCCC1CO CS-0136671 [1,0,0,1,0,0|1,0,0]=3 609 B8R1.11 O=C1NCCC1CO CS-0051681 [1,0,0,1,0,0|2,0,0]=4 610 B8R1.22 BrC1=CCCCCC1 CS-0448697 [1,0,0,1,0,0|1,0,1]=4 611 B8R1.22 BrC1CCCCCC1 CS-0146614 [1,0,0,1,0,0|1,0,1]=4 612 B8R1.22 CC1CCCNCC1 CS-0199646 [1,0,0,1,0,0|1,0,1]=4 613 B8R1.22 CN1CCCNCC1 CS-W013631 [1,0,0,1,0,0|2,0,0]=4 614 B8R1.22 ClC1CCCCCC1 CS-0155300 [1,0,0,1,0,0|1,0,1]=4 615 B8R1.22 FC1CCCCNC1 CS-0308682 [1,0,0,1,0,0|2,0,0]=4 616 B8R1.22 NC1CCCCCC1 CS-0071927 [1,0,0,1,0,0|1,0,1]=4 617 B8R1.22 NC1CCCCNC1 CS-W002928 [1,0,0,1,0,0|2,0,0]=4 618 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [1,0,0,1,0,0|2,0,0]=4 619 B8R1.22 N[C@H]1CCCCNC1 CS-0147270 [1,0,0,1,0,0|2,0,0]=4 620 B8R1.22 O=C1C=CCCCC1 CS-W007594 [1,0,0,1,0,0|0,0,2]=4 621 B8R1.22 O=C1CCCCCN1 CS-W011258 [1,0,0,1,0,0|1,0,0]=3 622 B8R1.22 O=C1CCCCNC1 CS-0155246 [1,0,0,1,0,0|1,0,0]=3 623 B8R1.22 O=C1CCCNCC1 CS-W001845 [1,0,0,1,0,0|1,0,0]=3 624 B8R1.22 O=C1CCNCCN1 CS-W003673 [1,0,0,1,0,0|2,0,0]=4 625 B8R1.22 O=C1CCOCCN1 CS-W021289 [1,0,0,1,0,0|2,0,0]=4 626 B8R1.22 O=C1COCCCN1 CS-0037454 [1,0,0,1,0,0|2,0,0]=4 627 B8R1.22 O=C1OCCCCO1 CS-0665438 [1,0,0,1,0,0|2,0,0]=4 628 B8R1.22 OC1CCCCCC1 CS-W013633 [1,0,0,1,0,0|0,0,2]=4 629 B8R1.22 OC1CCCCNC1 CS-0475252 [1,0,0,1,0,0|2,0,0]=4 630 B8R1.36 CCCCCC1CO1 CS-0205209 [1,0,0,1,0,0|1,0,0]=3 631 B8R1.49 C1=CCCCCCC1 CS-0035172 [1,0,0,1,0,0|0,0,1]=3 632 B8R1.49 C1CCCNCCC1 CS-0204387 [1,0,0,1,0,0|1,0,0]=3 633 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [1,0,0,1,0,0|1,0,0]=3 634 B8R1.1 CCC1COC(=O)N1 CS-0447690 [1,0,0,1,0,0|2,0,0]=4 635 B8R1.1 CCC1COC(=O)O1 CS-0187002 [1,0,0,1,0,0|2,0,0]=4 636 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [1,0,0,1,0,0|2,0,0]=4 637 B8R1.1 N#C[C@@H]1CCC(=O)C1 CS-0056414 [1,0,0,1,0,0|1,0,1]=4 638 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [1,0,0,1,0,0|2,0,0]=4 639 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [1,0,0,1,0,0|2,0,0]=4 640 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [1,0,0,1,0,0|2,0,0]=4 641 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [1,0,0,1,0,0|2,0,0]=4 642 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [1,0,0,1,0,0|2,0,0]=4 643 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [1,0,0,1,0,0|2,0,0]=4 644 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [1,0,0,1,0,0|2,0,0]=4 645 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [1,0,0,1,0,0|1,0,0]=3 646 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [1,0,0,1,0,0|2,0,0]=4 647 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [1,0,0,1,0,0|2,0,0]=4 648 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [1,0,0,1,0,0|2,0,0]=4 649 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [1,0,0,1,0,0|2,0,0]=4 650 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [1,0,0,1,0,0|2,0,0]=4 651 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [1,0,0,1,0,0|0,0,2]=4 652 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [1,0,0,1,0,0|1,0,0]=3 653 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [1,0,0,1,0,0|1,0,0]=3 654 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [1,0,0,1,0,0|1,0,0]=3 655 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [1,0,0,1,0,0|1,0,0]=3 656 B8R1.4 CC1CCCC(N)C1 CS-D0430 [1,0,0,1,0,0|1,0,1]=4 657 B8R1.4 CC1COCC(=O)N1 CS-0146686 [1,0,0,1,0,0|2,0,0]=4 658 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [1,0,0,1,0,0|2,0,0]=4 659 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [1,0,0,1,0,0|2,0,0]=4 660 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [1,0,0,1,0,0|1,0,0]=3 661 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [1,0,0,1,0,0|1,0,0]=3 662 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [1,0,0,1,0,0|2,0,0]=4 663 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [1,0,0,1,0,0|1,0,0]=3 664 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0015754 [1,0,0,1,0,0|1,0,1]=4 665 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0995219 [1,0,0,1,0,0|1,0,1]=4 666 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [1,0,0,1,0,0|2,0,0]=4 667 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [1,0,0,1,0,0|2,0,0]=4 668 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [1,0,0,1,0,0|2,0,0]=4 669 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [1,0,0,1,0,0|1,0,1]=4 670 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [1,0,0,1,0,0|2,0,0]=4 671 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [1,0,0,1,0,0|2,0,0]=4 672 B8R1.6 COCC1CC(=O)C1 CS-0416147 [1,0,0,1,0,0|1,0,0]=3 673 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|0,0,0]=2 674 B8R1.7 CC(=O)N1CCCC1 CS-0055117 [1,0,0,1,0,0|1,0,0]=3 675 B8R1.7 CC(N)C1CCCC1 CS-0052581 [1,0,0,1,0,0|1,0,1]=4 676 B8R1.7 CC(O)C1CCCC1 CS-0144924 [1,0,0,1,0,0|0,0,2]=4 677 B8R1.7 C[C@H](N)C1CCCC1 CS-0135384 [1,0,0,1,0,0|1,0,1]=4 678 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [1,0,0,1,0,0|1,0,0]=3 679 B8R1.7 NC(=O)C1CCCN1 CS-0450473 [1,0,0,1,0,0|2,0,0]=4 680 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [1,0,0,1,0,0|2,0,0]=4 681 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-D1209 [1,0,0,1,0,0|2,0,0]=4 682 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,1,0,0|2,0,0]=4 683 B8R1.7 NC(=O)[C@H]1CCCN1 CS-W013637 [1,0,0,1,0,0|2,0,0]=4 684 B8R1.7 NC(=O)[C@H]1CCNC1 CS-0053244 [1,0,0,1,0,0|2,0,0]=4 685 B8R1.7 NC(=S)C1CCCC1 CS-0468896 [1,0,0,1,0,0|1,1,0]=4 686 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|1,0,0]=3 687 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|2,0,0]=4 688 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|2,0,0]=4 689 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [1,0,0,1,0,0|2,0,0]=4 690 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [1,0,0,1,0,0|2,0,0]=4 691 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|2,0,0]=4 692 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [1,0,0,1,0,0|2,0,0]=4 693 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [1,0,0,1,0,0|2,0,0]=4 694 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [1,0,0,1,0,0|2,0,0]=4 695 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [1,0,0,1,0,0|2,0,0]=4 696 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [1,0,0,1,0,0|2,0,0]=4 697 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [1,0,0,1,0,0|2,0,0]=4 698 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [1,0,0,1,0,0|2,0,0]=4 699 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [1,0,0,1,0,0|2,0,0]=4 700 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [1,0,0,1,0,0|2,0,0]=4 701 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [1,0,0,1,0,0|2,0,0]=4 702 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [1,0,0,1,0,0|2,0,0]=4 703 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [1,0,0,1,0,0|2,0,0]=4 704 B8R1.34 CC(=O)NC1CNC1 CS-0048846 [1,0,0,1,0,0|2,0,0]=4 705 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|1,0,0]=3 706 B8R1.34 O=C(O)CC1COC1 CS-0045509 [1,0,0,1,0,0|2,0,0]=4 707 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [1,0,0,1,0,0|1,0,0]=3 708 B8R1.72 CC1(O)CCCCC1 CS-W013634 [1,0,0,1,0,0|0,0,2]=4 709 B8R1.72 C[N+]1(C)CCCCC1 CS-W018164 [1,0,0,1,0,0|2,0,0]=4 710 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [1,0,0,1,0,0|2,0,0]=4 711 B10R1.13 CC(=O)C1CCN(C)CC1 CS-0042169 [0,1,0,1,0,0|1,0,0]=3 712 B10R1.13 CC(=O)N1CCC(Cl)CC1 CS-0131265 [0,1,0,1,0,0|1,0,0]=3 713 B10R1.13 CC(=O)N1CCC(N)CC1 CS-0018992 [0,1,0,1,0,0|1,0,0]=3 714 B10R1.13 CC(=O)N1CCC(N)CC1 CS-W008618 [0,1,0,1,0,0|1,0,0]=3 715 B10R1.13 CC(=O)N1CCC(O)CC1 CS-0044711 [0,1,0,1,0,0|1,0,0]=3 716 B10R1.13 CC(=O)N1CCN(C)CC1 CS-0068016 [0,1,0,1,0,0|2,0,0]=4 717 B10R1.13 CC1CCC(C(=O)O)CC1 CS-0096911 [0,1,0,1,0,0|1,0,0]=3 718 B10R1.13 CC1CCC(C(C)C)CC1 CS-0742316 [0,1,0,1,0,0|1,0,1]=4 719 B10R1.13 CN(C)C1CCC(N)CC1 CS-0142728 [0,1,0,1,0,0|2,0,0]=4 720 B10R1.13 CN(C)C1CCC(N)CC1 CS-0142729 [0,1,0,1,0,0|2,0,0]=4 721 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 CS-0142733 [0,1,0,1,0,0|2,0,0]=4 722 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W003320 [0,1,0,1,0,0|2,0,0]=4 723 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W004085 [0,1,0,1,0,0|2,0,0]=4 724 B10R1.13 CN1CCC(C(N)=O)CC1 CS-0037921 [0,1,0,1,0,0|2,0,0]=4 725 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,1,0,1,0,0|1,0,0]=3 726 B10R1.13 NC(=O)C1CCC(=O)CC1 CS-W022230 [0,1,0,1,0,0|1,0,1]=4 727 B10R1.13 NC(=O)N1CCC(N)CC1 CS-0675256 [0,1,0,1,0,0|2,0,0]=4 728 B10R1.13 NC1CCC(C(=O)O)CC1 CS-W016414 [0,1,0,1,0,0|1,0,0]=3 729 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 CS-0017964 [0,1,0,1,0,0|1,0,0]=3 730 B10R1.13 O=C(O)C1CCC(O)CC1 CS-W016391 [0,1,0,1,0,0|1,0,0]=3 731 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-0054782 [0,1,0,1,0,0|2,0,0]=4 732 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-W007250 [0,1,0,1,0,0|2,0,0]=4 733 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 CS-0049675 [0,1,0,1,0,0|1,0,0]=3 734 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 CS-M0763 [0,1,0,1,0,0|1,0,0]=3 735 B10R1.13 O=C1CCC(C(=O)O)CC1 CS-W004786 [0,1,0,1,0,0|1,0,1]=4 736 B10R1.13 [C@H]1(N)CC[C@@H](C(=O)O)CC1 CS-W005514 [0,1,0,1,0,0|1,0,0]=3 737 B10R1.13 [C@H]1(N)CC[C@H](C(=O)O)CC1 CS-W008392 [0,1,0,1,0,0|1,0,0]=3 738 B10R1.14 COC(=O)C1CCC(=O)C1 CS-W019720 [0,1,0,1,0,0|1,0,1]=4 739 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 CS-0049313 [0,1,0,1,0,0|1,0,1]=4 740 B10R1.54 CC(C)CC1CNC(=O)C1 CS-0154054 [0,1,0,1,0,0|1,0,0]=3 741 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 CS-0096516 [0,1,0,1,0,0|1,0,0]=3 742 B10R1.54 CC(C)C[C@H]1COC(=O)N1 CS-0316426 [0,1,0,1,0,0|2,0,0]=4 743 B10R1.54 O=C(O)CC1CCC(=O)C1 CS-0145408 [0,1,0,1,0,0|1,0,1]=4 744 B10R1.150 COC(=O)CC1CC(=O)C1 CS-W006735 [0,1,0,1,0,0|1,0,1]=4 745 B10R1.10 CCCC1CCCC(=O)O1 CS-W018288 [0,1,0,1,0,0|1,0,0]=3 746 B10R1.10 CCOC1=CC(=O)CCC1 CS-0100015 [0,1,0,1,0,0|0,0,2]=4 747 B10R1.16 CCCCC1CCC(=O)O1 CS-W018278 [0,1,0,1,0,0|1,0,0]=3 748 B10R1.18 CC(=O)CC1CCCCC1 CS-0155063 [0,1,0,1,0,0|0,0,0]=2 749 B10R1.18 CC(=O)NC1CCNCC1 CS-W016424 [0,1,0,1,0,0|1,0,0]=3 750 B10R1.18 CC(C)NC1CCCCC1 CS-0075695 [0,1,0,1,0,0|1,0,1]=4 751 B10R1.18 CN(C)CC1CCNCC1 CS-0061716 [0,1,0,1,0,0|2,0,0]=4 752 B10R1.18 CN(C)CC1CCNCC1 CS-0463318 [0,1,0,1,0,0|2,0,0]=4 753 B10R1.18 NC(=O)NC1CCCCC1 CS-0071301 [0,1,0,1,0,0|1,0,0]=3 754 B10R1.18 O=C(O)C=C1CCCCC1 CS-0196826 [0,1,0,1,0,0|1,0,1]=4 755 B10R1.18 O=C(O)CC1=CCCCC1 CS-W011031 [0,1,0,1,0,0|1,0,1]=4 756 B10R1.18 O=C(O)CC1CCCCC1 CS-W019439 [0,1,0,1,0,0|1,0,0]=3 757 B10R1.18 O=C(O)CC1CCCCN1 CS-0217095 [0,1,0,1,0,0|1,0,0]=3 758 B10R1.18 O=C(O)CC1CCCCO1 CS-0069618 [0,1,0,1,0,0|1,0,0]=3 759 B10R1.18 O=C(O)CC1CCCNC1 CS-0037060 [0,1,0,1,0,0|1,0,0]=3 760 B10R1.18 O=C(O)CC1CCCNC1 CS-W001896 [0,1,0,1,0,0|1,0,0]=3 761 B10R1.18 O=C(O)CC1CCCOC1 CS-0120163 [0,1,0,1,0,0|1,0,0]=3 762 B10R1.18 O=C(O)CC1CCNCC1 CS-W001879 [0,1,0,1,0,0|1,0,0]=3 763 B10R1.18 O=C(O)CC1CCNCC1 CS-W002877 [0,1,0,1,0,0|1,0,0]=3 764 B10R1.18 O=C(O)CC1CCOCC1 CS-W001906 [0,1,0,1,0,0|1,0,0]=3 765 B10R1.18 O=C(O)CC1CNCCO1 CS-0169448 [0,1,0,1,0,0|2,0,0]=4 766 B10R1.18 O=C(O)CC1CNCCO1 CS-W004631 [0,1,0,1,0,0|2,0,0]=4 767 B10R1.18 O=C(O)CC1COCCN1 CS-0042630 [0,1,0,1,0,0|2,0,0]=4 768 B10R1.18 O=C(O)CN1CCCCC1 CS-0067848 [0,1,0,1,0,0|1,0,0]=3 769 B10R1.18 O=C(O)CN1CCNCC1 CS-0072501 [0,1,0,1,0,0|2,0,0]=4 770 B10R1.18 O=C(O)CN1CCOCC1 CS-M2890 [0,1,0,1,0,0|2,0,0]=4 771 B10R1.18 O=C(O)CN1CCOCC1 CS-M2897 [0,1,0,1,0,0|2,0,0]=4 772 B10R1.18 O=C(O)C[C@H]1CNCCO1 CS-0155209 [0,1,0,1,0,0|2,0,0]=4 773 B10R1.39 CC(=O)N1CCC[C@@H]1CO CS-0242767 [0,1,0,1,0,0|1,0,0]=3 774 B10R1.39 CC(=O)N1CCC[C@H]1CO CS-0256427 [0,1,0,1,0,0|1,0,0]=3 775 B10R1.61 CC(=O)C1CCCCC1=O CS-D1351 [0,1,0,1,0,0|0,0,1]=3 776 B10R1.61 CC(=O)N1CCNC[C@H]1C CS-0832715 [0,1,0,1,0,0|1,0,0]=3 777 B10R1.61 CC1CCCCC1C(=O)O CS-W018286 [0,1,0,1,0,0|1,0,0]=3 778 B10R1.61 CC1NCCCC1C(=O)O CS-0196596 [0,1,0,1,0,0|1,0,0]=3 779 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N CS-0090931 [0,1,0,1,0,0|2,0,0]=4 780 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N CS-0103160 [0,1,0,1,0,0|2,0,0]=4 781 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O CS-0151359 [0,1,0,1,0,0|2,0,0]=4 782 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N CS-W018664 [0,1,0,1,0,0|2,0,0]=4 783 B10R1.61 CN1CCCCC1C(=O)O CS-W021361 [0,1,0,1,0,0|1,0,0]=3 784 B10R1.61 CN1CCCC[C@@H]1C(=O)O CS-0030802 [0,1,0,1,0,0|1,0,0]=3 785 B10R1.61 CN1CCCC[C@H]1C(=O)O CS-W021154 [0,1,0,1,0,0|1,0,0]=3 786 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O CS-0131300 [0,1,0,1,0,0|1,0,0]=3 787 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O CS-0130250 [0,1,0,1,0,0|1,0,0]=3 788 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O CS-0131302 [0,1,0,1,0,0|1,0,0]=3 789 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O CS-0130601 [0,1,0,1,0,0|1,0,0]=3 790 B10R1.61 O=C(O)C1CCCCC1O CS-W006852 [0,1,0,1,0,0|1,0,0]=3 791 B10R1.61 [C@H]1(C(=O)O)NCCO[C@@H]1C CS-W007307 [0,1,0,1,0,0|2,0,0]=4 792 B10R1.66 O=C(O)CCC1CCCC1 CS-W018280 [0,1,0,1,0,0|1,0,0]=3 793 B10R1.66 O=C(O)CCC1OCCO1 CS-W004427 [0,1,0,1,0,0|2,0,0]=4 794 B10R1.66 O=C(O)CCN1CCCC1 CS-0035766 [0,1,0,1,0,0|1,0,0]=3 795 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [0,1,0,1,0,0|0,0,0]=2 796 B10R1.348 CC(=O)N1CCCNCC1 CS-W011017 [0,1,0,1,0,0|1,0,0]=3 797 B10R1.348 O=C(O)C1CCC=CCC1 CS-0187346 [0,1,0,1,0,0|1,0,1]=4 798 B10R1.348 O=C(O)C1CCCCCC1 CS-W007921 [0,1,0,1,0,0|1,0,0]=3 799 B10R1.348 O=C(O)C1CCCCCN1 CS-0054144 [0,1,0,1,0,0|1,0,0]=3 800 B10R1.28 CC(C)(O)C1CCCCC1 CS-0051915 [0,1,0,1,0,0|0,0,2]=4 801 B10R1.28 CS(=O)(=O)C1CCCNC1 CS-0051298 [0,1,0,1,0,0|2,0,0]=4 802 B10R1.28 CS(=O)(=O)C1CCNCC1 CS-0072156 [0,1,0,1,0,0|2,0,0]=4 803 B10R1.28 CS(=O)(=O)C1CCNCC1 CS-W005279 [0,1,0,1,0,0|2,0,0]=4 804 B10R1.1 CCCC1CCC(=O)CC1 CS-W002273 [0,1,0,1,0,0|0,0,0]=2 805 B10R1.1 N#CCC1CCC(=O)CC1 CS-0127778 [0,1,0,1,0,0|1,0,1]=4 806 B10R1.1 O=C1CCC(CCO)CC1 CS-0054946 [0,1,0,1,0,0|1,0,0]=3 807 B10R1.15 C=CC(=O)N1CCCCC1 CS-0159790 [0,1,0,1,0,0|1,0,1]=4 808 B10R1.15 CCC(=O)C1CCCCC1 CS-0069673 [0,1,0,1,0,0|0,0,0]=2 809 B10R1.15 CCC(=O)C1CCNCC1 CS-0152647 [0,1,0,1,0,0|1,0,0]=3 810 B10R1.15 CCC(=O)C1CCOCC1 CS-0069622 [0,1,0,1,0,0|1,0,0]=3 811 B10R1.15 CC[C@H](N)C1CCCCC1 CS-0153930 [0,1,0,1,0,0|1,0,1]=4 812 B10R1.15 CNC(=O)C1CCCNC1 CS-0094687 [0,1,0,1,0,0|1,0,0]=3 813 B10R1.15 CNC(=O)C1CCNCC1 CS-0141261 [0,1,0,1,0,0|1,0,0]=3 814 B10R1.15 COC(=O)C1=CCCCC1 CS-W009174 [0,1,0,1,0,0|0,0,2]=4 815 B10R1.15 COC(=O)C1CC=CCC1 CS-W014366 [0,1,0,1,0,0|0,0,2]=4 816 B10R1.15 COC(=O)C1CCCCN1 CS-0043132 [0,1,0,1,0,0|1,0,0]=3 817 B10R1.15 COC(=O)C1CCCCN1 CS-W003366 [0,1,0,1,0,0|1,0,0]=3 818 B10R1.15 COC(=O)C1CCCCO1 CS-W001905 [0,1,0,1,0,0|1,0,0]=3 819 B10R1.15 COC(=O)C1CCCNC1 CS-0042814 [0,1,0,1,0,0|1,0,0]=3 820 B10R1.15 COC(=O)C1CCCNC1 CS-W005063 [0,1,0,1,0,0|1,0,0]=3 821 B10R1.15 COC(=O)C1CCCOC1 CS-W001863 [0,1,0,1,0,0|1,0,0]=3 822 B10R1.15 COC(=O)C1CCNCC1 CS-W002947 [0,1,0,1,0,0|1,0,0]=3 823 B10R1.15 COC(=O)C1CCNCC1 CS-W016419 [0,1,0,1,0,0|1,0,0]=3 824 B10R1.15 COC(=O)C1CCOCC1 CS-D1156 [0,1,0,1,0,0|1,0,0]=3 825 B10R1.15 COC(=O)C1CNCCN1 CS-0094441 [0,1,0,1,0,0|2,0,0]=4 826 B10R1.15 COC(=O)C1CNCCO1 CS-0036148 [0,1,0,1,0,0|2,0,0]=4 827 B10R1.15 COC(=O)C1COCCN1 CS-D1697 [0,1,0,1,0,0|2,0,0]=4 828 B10R1.15 COC(=O)N1CCCCC1 CS-0200219 [0,1,0,1,0,0|1,0,0]=3 829 B10R1.15 COC(=O)N1CCNCC1 CS-0069574 [0,1,0,1,0,0|2,0,0]=4 830 B10R1.15 COC(=O)[C@@H]1CC=CCC1 CS-0051390 [0,1,0,1,0,0|0,0,2]=4 831 B10R1.15 COC(=O)[C@@H]1CCCCN1 CS-W001485 [0,1,0,1,0,0|1,0,0]=3 832 B10R1.15 COC(=O)[C@@H]1CCCNC1 CS-0040391 [0,1,0,1,0,0|1,0,0]=3 833 B10R1.15 COC(=O)[C@@H]1CCCNC1 CS-M0789 [0,1,0,1,0,0|1,0,0]=3 834 B10R1.15 COC(=O)[C@@H]1CCCNN1 CS-0159658 [0,1,0,1,0,0|2,0,0]=4 835 B10R1.15 COC(=O)[C@@H]1CCCNN1 CS-0159659 [0,1,0,1,0,0|2,0,0]=4 836 B10R1.15 COC(=O)[C@@H]1CNCCO1 CS-0042560 [0,1,0,1,0,0|2,0,0]=4 837 B10R1.15 COC(=O)[C@@H]1COCCN1 CS-W003693 [0,1,0,1,0,0|2,0,0]=4 838 B10R1.15 COC(=O)[C@H]1CCCCN1 CS-D1721 [0,1,0,1,0,0|1,0,0]=3 839 B10R1.15 COC(=O)[C@H]1CCCNC1 CS-M2670 [0,1,0,1,0,0|1,0,0]=3 840 B10R1.15 COC(=O)[C@H]1CNCCN1 CS-0049294 [0,1,0,1,0,0|2,0,0]=4 841 B10R1.15 COC(=O)[C@H]1CNCCO1 CS-0103649 [0,1,0,1,0,0|2,0,0]=4 842 B10R1.15 COC(=O)[C@H]1COCCN1 CS-0109445 [0,1,0,1,0,0|2,0,0]=4 843 B10R1.15 COC(=O)[C@H]1COCCN1 CS-W004178 [0,1,0,1,0,0|2,0,0]=4 844 B10R1.15 NCC(=O)N1CCCCC1 CS-0186529 [0,1,0,1,0,0|1,0,0]=3 845 B10R1.15 NCC(=O)N1CCOCC1 CS-0155196 [0,1,0,1,0,0|2,0,0]=4 846 B10R1.15 NCC(=O)N1CCOCC1 CS-0199378 [0,1,0,1,0,0|2,0,0]=4 847 B10R1.15 N[C@@H](CO)C1CCCCC1 CS-0088060 [0,1,0,1,0,0|1,0,1]=4 848 B10R1.15 N[C@H](CO)C1CCCCC1 CS-0028729 [0,1,0,1,0,0|1,0,1]=4 849 B10R1.15 O=C(CBr)C1CCCCC1 CS-W020448 [0,1,0,1,0,0|0,0,0]=2 850 B10R1.15 O=C(CBr)C1CCOCC1 CS-0045281 [0,1,0,1,0,0|1,0,0]=3 851 B10R1.15 O=C(CBr)N1CCOCC1 CS-0139505 [0,1,0,1,0,0|2,0,0]=4 852 B10R1.15 O=C(CCl)N1CCCCC1 CS-W021632 [0,1,0,1,0,0|1,0,0]=3 853 B10R1.15 O=C(CCl)N1CCOCC1 CS-W021985 [0,1,0,1,0,0|2,0,0]=4 854 B10R1.15 O=C(CO)N1CCOCC1 CS-0028591 [0,1,0,1,0,0|2,0,0]=4 855 B10R1.15 [C@@H]1(C(=O)OC)COCCN1 CS-0044006 [0,1,0,1,0,0|2,0,0]=4 856 B10R1.27 COC(=O)CC1CCOC1 CS-0104771 [0,1,0,1,0,0|1,0,0]=3 857 B10R1.27 COC(=O)C[C@@H]1CCCN1 CS-W021179 [0,1,0,1,0,0|1,0,0]=3 858 B10R1.27 COC(=O)C[C@@H]1CCNC1 CS-0187829 [0,1,0,1,0,0|1,0,0]=3 859 B10R1.27 COC(=O)C[C@H]1CCNC1 CS-0187993 [0,1,0,1,0,0|1,0,0]=3 860 B10R1.27 O=C(CCl)NC1CCCC1 CS-B1572 [0,1,0,1,0,0|1,0,0]=3 861 B10R1.149 COC(=O)C1CCCC1=O CS-0007582 [0,1,0,1,0,0|1,0,1]=4 862 B10R1.149 COC(=O)[C@@H]1CCCN1C CS-0450221 [0,1,0,1,0,0|1,0,0]=3 863 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N CS-0375992 [0,1,0,1,0,0|1,0,0]=3 864 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O CS-0049292 [0,1,0,1,0,0|2,0,0]=4 865 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C CS-0645794 [0,1,0,1,0,0|1,0,0]=3 866 B10R1.149 COC(=O)[C@H]1COC[C@H]1N CS-0341507 [0,1,0,1,0,0|2,0,0]=4 867 B10R1.161 OCC1CCCCCCC1 CS-0072541 [0,1,0,1,0,0|0,0,2]=4 868 B10R1.161 ON=C1CCCCCCC1 CS-0368253 [0,1,0,1,0,0|0,0,1]=3 869 B10R1.175 O=C(O[Na])C1CCC1CO CS-0433319 [0,1,0,1,0,0|2,0,0]=4 870 B10R1.275 CN1CCCC[C@H](N)C1=O CS-0151092 [0,1,0,1,0,0|2,0,0]=4 871 B10R1.23 CC(=O)N(C)C1CCNC1 CS-0183428 [0,1,0,1,0,0|2,0,0]=4 872 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 CS-0048793 [0,1,0,1,0,0|2,0,0]=4 873 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 CS-0048788 [0,1,0,1,0,0|2,0,0]=4 874 B10R1.23 CC(C(=O)O)C1CCCC1 CS-0137663 [0,1,0,1,0,0|1,0,0]=3 875 B10R1.23 CC(C(=O)O)N1CCCC1 CS-0154982 [0,1,0,1,0,0|2,0,0]=4 876 B10R1.23 NC(C(=O)O)C1CCCC1 CS-W021543 [0,1,0,1,0,0|1,0,0]=3 877 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 CS-D0303 [0,1,0,1,0,0|1,0,0]=3 878 B10R1.23 O=C(O)C(Br)C1CCCC1 CS-0029561 [0,1,0,1,0,0|1,0,0]=3 879 B10R1.23 [C@@H](N)(C(=O)O)C1CCCC1 CS-W008530 [0,1,0,1,0,0|1,0,0]=3 880 B10R1.93 COCC1CC(C(=O)O)C1 CS-0162679 [0,1,0,1,0,0|2,0,0]=4 881 B10R1.113 CC(=O)N1CCCC(N)C1 CS-0626185 [0,1,0,1,0,0|1,0,0]=3 882 B10R1.113 CC(=O)N1CCC[C@@H](N)C1 CS-0628546 [0,1,0,1,0,0|1,0,0]=3 883 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 CS-0186148 [0,1,0,1,0,0|2,0,0]=4 884 B10R1.113 CC(C)C1CC(=O)CCO1 CS-0464877 [0,1,0,1,0,0|1,0,0]=3 885 B10R1.113 CC(C)[C@H]1COCC(=O)N1 CS-0093792 [0,1,0,1,0,0|2,0,0]=4 886 B10R1.113 CC1CCCC(C(=O)O)C1 CS-0204578 [0,1,0,1,0,0|1,0,0]=3 887 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,1,0,1,0,0|1,0,0]=3 888 B10R1.113 CN1CCCC(C(=O)O)C1 CS-0052422 [0,1,0,1,0,0|2,0,0]=4 889 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,1,0,1,0,0|1,0,0]=3 890 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W022616 [0,1,0,1,0,0|1,0,0]=3 891 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 CS-0049713 [0,1,0,1,0,0|1,0,0]=3 892 B10R1.113 O=C(O)C1CCCC(O)C1 CS-0155422 [0,1,0,1,0,0|1,0,0]=3 893 B10R1.113 O=C1CCCC(C(=O)O)C1 CS-0044016 [0,1,0,1,0,0|1,0,1]=4 894 B10R1.204 N[C@@H](CC1CCC1)C(=O)O CS-D0035 [0,1,0,1,0,0|1,0,0]=3 895 B10R1.204 N[C@H](CC1CCC1)C(=O)O CS-D0034 [0,1,0,1,0,0|1,0,0]=3 896 B10R1.363 CC(=O)C1(C)CCNCC1 CS-0527199 [0,1,0,1,0,0|1,0,0]=3 897 B10R1.363 CC(C)C1(O)CCCCC1 CS-0069571 [0,1,0,1,0,0|1,0,1]=4 898 B10R1.363 CC1(C(=O)O)CCCCC1 CS-0153762 [0,1,0,1,0,0|1,0,0]=3 899 B10R1.363 CC1(C(=O)O)CCCCN1 CS-0051831 [0,1,0,1,0,0|2,0,0]=4 900 B10R1.363 CC1(C(=O)O)CCCNC1 CS-0051239 [0,1,0,1,0,0|2,0,0]=4 901 B10R1.363 CC1(C(=O)O)CCNCC1 CS-0054435 [0,1,0,1,0,0|2,0,0]=4 902 B10R1.363 CC1(C(=O)O)CCOCC1 CS-W003821 [0,1,0,1,0,0|2,0,0]=4 903 B10R1.363 NC1(C(=O)O)CCCCC1 CS-W016418 [0,1,0,1,0,0|1,0,0]=3 904 B10R1.363 NC1(C(=O)O)CCOCC1 CS-0051037 [0,1,0,1,0,0|2,0,0]=4 905 B10R1.363 NC1(C(=O)O)CCOCC1 CS-0102004 [0,1,0,1,0,0|2,0,0]=4 906 B10R1.363 O=C(O)C1(F)CCCCC1 CS-0139139 [0,1,0,1,0,0|1,0,0]=3 907 B10R1.363 O=C(O)C1(F)CCNCC1 CS-0054436 [0,1,0,1,0,0|2,0,0]=4 908 B10R1.363 O=C(O)C1(F)CCOCC1 CS-0035985 [0,1,0,1,0,0|2,0,0]=4 909 B10R1.363 O=C(O)C1(O)CCCCC1 CS-W005132 [0,1,0,1,0,0|1,0,0]=3 910 B10R1.363 O=C(O)C1(O)CCOCC1 CS-0050835 [0,1,0,1,0,0|2,0,0]=4 911 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O CS-0151198 [0,1,0,1,0,0|2,0,0]=4 912 B10R1.82 O=C(O)CCC1CC(=O)C1 CS-0051756 [0,1,0,1,0,0|1,0,1]=4 913 B10R1.140 CCOC(=O)C1CC(=O)C1 CS-W008814 [0,1,0,1,0,0|1,0,1]=4 914 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O CS-0341689 [0,1,0,1,0,0|2,0,0]=4 915 B10R1.128 CC1(C)CNC[C@H]1C(=O)O CS-0187896 [0,1,0,1,0,0|2,0,0]=4 916 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O CS-W020707 [0,1,0,1,0,0|2,0,0]=4 917 B10R2.62 O=C1NC2CCC1CC2 CS-0052042 [0,0,0,2,0,0|1,0,0]=3 918 B10R2.71 O=C1CC2CCC(C1)N2 CS-M0611 [0,0,0,2,0,0|1,0,0]=3 919 B10R2.71 O=C1CC2CCC(C1)O2 CS-0049936 [0,0,0,2,0,0|1,0,0]=3 920 B10R2.534 O=C1CCCC2(CC2)C1 CS-0048695 [0,0,0,2,0,0|0,0,0]=2 921 B10R2.534 OC1=NC2(CCC1)CC2 CS-0044076 [0,0,0,2,0,0|1,0,1]=4 922 B10R2.351 O=C(O)C1C2CCCC21 CS-0046674 [0,0,0,2,0,0|1,0,0]=3 923 B10R2.351 O=C(O)C1C2COCC21 CS-W019723 [0,0,0,2,0,0|2,0,0]=4 924 B10R2.351 O=C(O)[C@@H]1[C@H]2COC[C@H]21 CS-0036007 [0,0,0,2,0,0|2,0,0]=4 925 B10R2.355 O=C(O)C1NCC2CC21 CS-0051525 [0,0,0,2,0,0|2,0,0]=4 926 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 CS-0186033 [0,0,0,2,0,0|2,0,0]=4 927 B10R2.2 NN1CC2CCCC2C1 CS-W010850 [0,0,0,2,0,0|2,0,0]=4 928 B10R2.14 O=C1CC(C2CC2)CN1 CS-0006071 [0,0,0,2,0,0|1,0,0]=3 929 B10R2.32 O=C1CCN2CCCC12 CS-0628873 [0,0,0,2,0,0|1,0,0]=3 930 B10R2.332 O=C1CC2(CCC2)CN1 CS-0067407 [0,0,0,2,0,0|1,0,0]=3 931 B10R2.332 O=C1CC2(CN1)COC2 CS-W000315 [0,0,0,2,0,0|2,0,0]=4 932 B10R2.332 O=C1CCC2(CCC2)N1 CS-0197449 [0,0,0,2,0,0|1,0,0]=3 933 B10R2.18 C1CCCC2OC2CC1 CS-0450617 [0,0,0,2,0,0|0,0,2]=4 934 B10R2.638 O=C(O)C1CC12CCC2 CS-0048697 [0,0,0,2,0,0|1,0,0]=3