0 B8R0.7 C#CCCCCC(=O)O CS-0020150 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.7 C=C=CCOCC(C)O CS-1173673 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.7 C=CCCCCB(O)O CS-0130748 [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|1,0,3]=4 4 B8R0.7 CC(=O)NCCCCN CS-0453679 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.7 CC(=O)OCCCCCl CS-W010967 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.7 CC(C)CCCCCO CS-0210352 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.7 CC(C)CCCCCO CS-0641181 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.7 CC(C)NCCCCO CS-M3069 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.7 CCCCCCB(O)O CS-W000880 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.7 CCCCCCC(C)=O CS-W011125 [0,0,0,0,0,0|0,0,2]=2 11 B8R0.7 CCCCCCC(C)Br CS-0182749 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.7 CCCCCCC(C)O CS-W011107 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.7 CCCCCC[C@@H](C)N CS-0204339 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [0,0,0,0,0,0|0,0,0]=0 15 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [0,0,0,0,0,0|0,0,0]=0 16 B8R0.7 CCCCOCC(=O)O CS-0152080 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.7 CCCC\C=C\B(O)O CS-0094491 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.7 CN(C)CCCCCN CS-0044781 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.7 CN(C)CCOCCO CS-W011078 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.7 COCCOCC(=O)O CS-0084611 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.7 COCCOCC(=O)O CS-0527879 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.7 COCCOCC(=O)O CS-0527882 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.7 FC(F)CCCCCBr CS-0639269 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.7 NC(=O)CCCCCBr CS-0138401 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.7 NCCCCCC(=O)O CS-2204 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.7 NCCCCCC(N)=O CS-0137981 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.7 O=C(O)CCCCCO CS-0158392 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.7 O=C(O)CCOCCBr CS-0107735 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.7 O=C(O)CCOCCO CS-0066172 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.7 O=C(O)CCOCCO CS-0528773 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.7 O=C([O-])CCCCCO CS-0158395 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.1 BrCCCCCCBr CS-0015831 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.1 C#CCCCCCO CS-W007441 [1,0,0,0,0,0|0,0,2]=3 37 B7R0.1 C=CCCCCCBr CS-W009270 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.1 C=CCCCCNC CS-0187593 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.1 C=COCCCCO CS-0077087 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.1 CCCCCCCBr CS-W017293 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.1 CCCCCCCO CS-0152146 [1,0,0,0,0,0|0,0,0]=1 42 B7R0.1 CCCCNCCO CS-0077079 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.1 CCCOCCCN CS-0213493 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.1 CCNCCCCO CS-0206547 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.1 CNCCOCCO CS-0209922 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.1 COCCOCCBr CS-0116183 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.1 COCCOCCI CS-0150162 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.1 COCCOCCN CS-0115786 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.1 COCCOCCN CS-0115787 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.1 COCCOCCN CS-0115788 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.1 COCCOCCN CS-0115790 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.1 COCCOCCN CS-W008429 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.1 COCCOCCO CS-0116122 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.1 COCCOCCO CS-0644881 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.1 COCCOCCO CS-0889987 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.1 COCCOCCO CS-W013578 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.1 COCCOCCS CS-0115760 [1,0,0,0,0,0|2,1,0]=4 58 B7R0.1 COCCOCCS CS-0115764 [1,0,0,0,0,0|2,1,0]=4 59 B7R0.1 COCCOCCS CS-0650914 [1,0,0,0,0,0|2,1,0]=4 60 B7R0.1 ClCCCCCCBr CS-W010503 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.1 ClCCCCCCCl CS-W016259 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.1 ClCCCCCCI CS-0059200 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.1 ICCCCCCI CS-W011914 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.1 N#CCCCCCBr CS-0158396 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.1 N#CCCCCCN CS-0147655 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.1 NCCCCCCBr CS-0158390 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.1 NCCCCCCN CS-W015964 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.1 NCCCCCCO CS-W007957 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.1 NCCCCCCS CS-D0506 [1,0,0,0,0,0|1,1,0]=3 70 B7R0.1 NCCCNCCBr CS-W022895 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.1 NCCCNCCO CS-0158337 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.1 NCCCNCCS CS-7832 [1,0,0,0,0,0|2,1,0]=4 73 B7R0.1 NCCNCCCO CS-0199570 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.1 OCCCCCCBr CS-0654104 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.1 OCCCCCCBr CS-W017171 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.1 OCCCCCCCl CS-B1599 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.1 OCCCCCCO CS-W011221 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.1 OCCSSCCO CS-0181622 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.4 CC(=O)CCCCCl CS-W013363 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.4 CC(C)CCCCBr CS-0154231 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.4 CC(C)CCCCO CS-W011227 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.4 CC(O)CCCCO CS-0572924 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.4 CC(O)CSCCO CS-0159777 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.4 CCCCCB(O)O CS-W018820 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.4 CCCCCC(C)O CS-W016595 [1,0,0,0,0,0|0,0,0]=1 86 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [1,0,0,0,0,0|0,0,0]=1 87 B7R0.4 CCCCC[C@H](C)O CS-0179417 [1,0,0,0,0,0|0,0,0]=1 88 B7R0.4 CCCNCC(=O)O CS-0250530 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.4 CCCOCC(=O)O CS-0152048 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.4 CCCSCC(=O)O CS-0651549 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.4 CN(C)CCCCCl CS-0059660 [1,0,0,0,0,0|3,0,0]=4 92 B7R0.4 CN(C)CCCCN CS-0206346 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.4 CN(C)CCCCN CS-0669419 [1,0,0,0,0,0|3,0,0]=4 94 B7R0.4 CN(C)CCCCO CS-W022016 [1,0,0,0,0,0|3,0,0]=4 95 B7R0.4 CNCCCC(=O)O CS-0096860 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.4 CNCCCC(=O)O CS-0133777 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.4 COCCCC(=O)O CS-W001021 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.4 NCCCCC(=O)O CS-0181832 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.4 NCCCCC(=O)O CS-W016594 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|2,0,1]=4 102 B9R0.2 C#CCCCCCC(=O)O CS-0006437 [0,1,0,0,0,0|1,0,2]=4 103 B9R0.2 C=CCCCCCC(=O)O CS-0147251 [0,1,0,0,0,0|1,0,2]=4 104 B9R0.2 CC(=O)OCCCCCBr CS-0006787 [0,1,0,0,0,0|1,0,2]=4 105 B9R0.2 CCCCCC#CC(=O)O CS-0297443 [0,1,0,0,0,0|1,0,2]=4 106 B9R0.2 CCCCCCCC(=O)O CS-0016549 [0,1,0,0,0,0|1,0,1]=3 107 B9R0.2 CCCCCCCC(C)=O CS-0015991 [0,1,0,0,0,0|0,0,2]=3 108 B9R0.2 CCCCC\C=C\C(=O)O CS-0098436 [0,1,0,0,0,0|1,0,2]=4 109 B9R0.2 CCCNCCCN(C)C CS-0116651 [0,1,0,0,0,0|2,0,0]=3 110 B9R0.2 CN(C)CCCCCCO CS-W017749 [0,1,0,0,0,0|2,0,0]=3 111 B9R0.2 COCCOCCC(=O)O CS-0105847 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.2 NCCCCCCC(=O)O CS-W002042 [0,1,0,0,0,0|1,0,1]=3 113 B9R0.2 O=C(O)CCCCCCBr CS-W007714 [0,1,0,0,0,0|1,0,1]=3 114 B9R0.2 O=C(O)CCCCCCO CS-W022546 [0,1,0,0,0,0|1,0,1]=3 115 B9R0.4 CCCCC(C)OC(C)=O CS-0255972 [0,1,0,0,0,0|1,0,2]=4 116 B9R0.4 CCCOC(=O)CC(C)C CS-0453597 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.4 CSCC[C@@H](N)CC(=O)O CS-0196593 [0,1,0,0,0,0|2,0,1]=4 118 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0062044 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0150087 [0,1,0,0,0,0|2,0,1]=4 120 B9R0.38 CCCCCC[N+](C)(C)C CS-0152324 [0,1,0,0,0,0|2,0,0]=3 121 B9R0.46 CCCCCCC(=O)CC CS-0330265 [0,1,0,0,0,0|0,0,2]=3 122 B9R0.46 CCCCCCC(=O)NN CS-0215224 [0,1,0,0,0,0|1,0,2]=4 123 B9R0.46 CCCCCCC(=O)OC CS-0182587 [0,1,0,0,0,0|0,0,2]=3 124 B9R0.46 CCCCCCC(=O)O[Na] CS-0182616 [0,1,0,0,0,0|1,0,1]=3 125 B9R0.46 CCCCCCC(O)CC CS-0199187 [0,1,0,0,0,0|0,0,0]=1 126 B9R0.46 CCCCCCC(O)CO CS-W018222 [0,1,0,0,0,0|0,0,0]=1 127 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,1,0,0,0,0|1,0,2]=4 128 B9R0.46 COC(=O)CCCCCN CS-W008066 [0,1,0,0,0,0|1,0,2]=4 129 B9R0.46 COC(=O)CCCCCO CS-0187523 [0,1,0,0,0,0|1,0,2]=4 130 B9R0.46 COCCOCC(O)CO CS-0888968 [0,1,0,0,0,0|2,0,0]=3 131 B9R0.47 CCCCCC(N)C(=O)O CS-W016364 [0,1,0,0,0,0|1,0,1]=3 132 B9R0.47 CCCCCC(O)C(=O)O CS-0242197 [0,1,0,0,0,0|1,0,1]=3 133 B9R0.47 CCCCC[C@@H](N)C(=O)O CS-0152364 [0,1,0,0,0,0|1,0,1]=3 134 B9R0.47 CCCCC[C@H](N)C(=O)O CS-W018819 [0,1,0,0,0,0|1,0,1]=3 135 B9R0.47 CCCCOC(=O)[C@H](C)N CS-0523493 [0,1,0,0,0,0|2,0,1]=4 136 B9R0.47 CCCCOC(=O)[C@H](C)O CS-0451298 [0,1,0,0,0,0|1,0,1]=3 137 B9R0.47 CCSCC[C@H](N)C(=O)O CS-W017916 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.47 CC[Se]CCC(N)C(=O)O CS-0640882 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.47 NCCCCC(N)C(=O)O CS-0071275 [0,1,0,0,0,0|2,0,1]=4 140 B9R0.47 NCCCCC(N)C(=O)O CS-0201768 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.47 NCCCCC(N)C(=O)O CS-7806 [0,1,0,0,0,0|2,0,1]=4 142 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-0016215 [0,1,0,0,0,0|2,0,1]=4 143 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-D1670 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.47 NCCCC[C@H](N)C(=O)O CS-1184636 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.47 NCCCC[C@H](N)C(=O)O CS-7885 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W016086 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W019758 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.47 [C@@H](N)(CCSCC)C(=O)O CS-W017917 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.48 CCOC(=O)CCC(C)Br CS-0139323 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.48 CCOC(=O)CCC(C)C CS-0151589 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.48 COCC(C)OCC(C)O CS-W016335 [0,1,0,0,0,0|2,0,0]=3 152 B9R0.55 CC(=O)CCCCC(=O)O CS-W008210 [0,1,0,0,0,0|1,0,2]=4 153 B9R0.55 CC(C)CCCCC(=O)O CS-0154230 [0,1,0,0,0,0|1,0,1]=3 154 B9R0.55 CN(C)CCCCC(=O)O CS-0151284 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.55 CN(C)CCCCC(=O)O CS-0151285 [0,1,0,0,0,0|2,0,1]=4 156 B9R0.55 CN(C)CCCCN(C)C CS-0095543 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.2 CCN1CCCC(O)C1 CS-0075008 [0,0,0,1,0,0|1,0,0]=2 158 B9R1.2 CCN1CCC[C@@H](N)C1 CS-0311909 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.2 CN1CCCC(CN)C1 CS-B1372 [0,0,0,1,0,0|3,0,0]=4 160 B9R1.2 CN1CCCC(CO)C1 CS-W021353 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.2 CN1CCC[C@@H](CO)C1 CS-B0137 [0,0,0,1,0,0|3,0,0]=4 162 B9R1.2 CN1CCC[C@H](CO)C1 CS-B0136 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.2 CSC1CCCC(=O)C1 CS-0237612 [0,0,0,1,0,0|1,0,2]=4 164 B9R1.6 CC(=O)C1CCCCC1 CS-W007597 [0,0,0,1,0,0|0,0,2]=3 165 B9R1.6 CC(=O)C1CCCNC1 CS-0212276 [0,0,0,1,0,0|1,0,2]=4 166 B9R1.6 CC(=O)C1CCNCC1 CS-W021259 [0,0,0,1,0,0|1,0,2]=4 167 B9R1.6 CC(=O)C1CCOCC1 CS-D1226 [0,0,0,1,0,0|1,0,2]=4 168 B9R1.6 CC(=O)N1CCCCC1 CS-0155037 [0,0,0,1,0,0|1,0,2]=4 169 B9R1.6 CC(C)C1CCNCC1 CS-0096311 [0,0,0,1,0,0|2,0,0]=3 170 B9R1.6 CC(C)C1CNCCO1 CS-0434264 [0,0,0,1,0,0|3,0,0]=4 171 B9R1.6 CC(C)C1COCCN1 CS-W019094 [0,0,0,1,0,0|3,0,0]=4 172 B9R1.6 CC(C)[C@@H]1CNCCO1 CS-0096525 [0,0,0,1,0,0|3,0,0]=4 173 B9R1.6 CC(C)[C@@H]1COCCN1 CS-0098379 [0,0,0,1,0,0|3,0,0]=4 174 B9R1.6 CC(C)[C@@H]1COCCN1 CS-0146951 [0,0,0,1,0,0|3,0,0]=4 175 B9R1.6 CC(C)[C@H]1CNCCO1 CS-0096498 [0,0,0,1,0,0|3,0,0]=4 176 B9R1.6 CC(C)[C@H]1COCCN1 CS-0098377 [0,0,0,1,0,0|3,0,0]=4 177 B9R1.6 CC(C)[C@H]1COCCN1 CS-0146949 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.6 CC(N)C1CCCCC1 CS-0136579 [0,0,0,1,0,0|1,0,0]=2 179 B9R1.6 CC(N)C1CCOCC1 CS-0196712 [0,0,0,1,0,0|2,0,0]=3 180 B9R1.6 CC(O)C1CCCCC1 CS-0109616 [0,0,0,1,0,0|0,0,0]=1 181 B9R1.6 CC(O)C1CCOCC1 CS-W004281 [0,0,0,1,0,0|1,0,0]=2 182 B9R1.6 CN(C)C1CCCNC1 CS-0096399 [0,0,0,1,0,0|3,0,0]=4 183 B9R1.6 CN(C)C1CCNCC1 CS-W002131 [0,0,0,1,0,0|3,0,0]=4 184 B9R1.6 CN(C)C1CCNCC1 CS-W002164 [0,0,0,1,0,0|3,0,0]=4 185 B9R1.6 CN(C)[C@H]1CCCNC1 CS-0196482 [0,0,0,1,0,0|3,0,0]=4 186 B9R1.6 CN(C)[C@H]1CCCNC1 CS-0506149 [0,0,0,1,0,0|3,0,0]=4 187 B9R1.6 C[C@@H](N)C1CCCCC1 CS-0343288 [0,0,0,1,0,0|1,0,0]=2 188 B9R1.6 C[C@@H](O)C1CCCCC1 CS-0144970 [0,0,0,1,0,0|0,0,0]=1 189 B9R1.6 C[C@H](N)C1CCCCC1 CS-0136578 [0,0,0,1,0,0|1,0,0]=2 190 B9R1.6 FC(F)C1CCCNC1 CS-0356776 [0,0,0,1,0,0|3,0,0]=4 191 B9R1.6 FC(F)C1CCNCC1 CS-W022014 [0,0,0,1,0,0|3,0,0]=4 192 B9R1.6 N=C(N)C1CCCCC1 CS-0216687 [0,0,0,1,0,0|2,0,1]=4 193 B9R1.6 NC(=O)C1CCCCC1 CS-W013481 [0,0,0,1,0,0|1,0,2]=4 194 B9R1.6 O=C(O)C1CCCCC1 CS-D1501 [0,0,0,1,0,0|1,0,1]=3 195 B9R1.6 O=C(O)C1CCCCN1 CS-B1313 [0,0,0,1,0,0|2,0,1]=4 196 B9R1.6 O=C(O)C1CCCCO1 CS-W001872 [0,0,0,1,0,0|2,0,1]=4 197 B9R1.6 O=C(O)C1CCCNC1 CS-W020556 [0,0,0,1,0,0|2,0,1]=4 198 B9R1.6 O=C(O)C1CCCOC1 CS-W001890 [0,0,0,1,0,0|2,0,1]=4 199 B9R1.6 O=C(O)C1CCNCC1 CS-D1472 [0,0,0,1,0,0|2,0,1]=4 200 B9R1.6 O=C(O)C1CCOCC1 CS-W002155 [0,0,0,1,0,0|2,0,1]=4 201 B9R1.6 O=C(O)C1CCSCC1 CS-0045869 [0,0,0,1,0,0|2,0,1]=4 202 B9R1.6 O=C(O)N1CCCCC1 CS-0084306 [0,0,0,1,0,0|2,0,1]=4 203 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,0,0,1,0,0|2,0,1]=4 204 B9R1.6 O=C(O)[C@H]1CCCCN1 CS-0143812 [0,0,0,1,0,0|2,0,1]=4 205 B9R1.6 O=C(O)[C@H]1CCCCN1 CS-D1144 [0,0,0,1,0,0|2,0,1]=4 206 B9R1.6 O=C(O)[C@H]1CCCNC1 CS-0043826 [0,0,0,1,0,0|2,0,1]=4 207 B9R1.6 OB(O)C1CCCCC1 CS-W007574 [0,0,0,1,0,0|2,0,0]=3 208 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 CS-W013450 [0,0,0,1,0,0|2,0,1]=4 209 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 CS-0043827 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 CS-W008123 [0,0,0,1,0,0|2,0,1]=4 211 B9R1.6 [C@H]1(C(=O)O)CCCNC1 CS-W013451 [0,0,0,1,0,0|2,0,1]=4 212 B9R1.7 CCCC1CNC(=O)C1 CS-0061478 [0,0,0,1,0,0|1,0,2]=4 213 B9R1.7 CCCC1COC(=O)O1 CS-0134586 [0,0,0,1,0,0|2,0,1]=4 214 B9R1.7 CCC[C@@H]1COC(=O)C1 CS-0188536 [0,0,0,1,0,0|1,0,2]=4 215 B9R1.9 NC1CN(CCCF)C1 CS-0129788 [0,0,0,1,0,0|3,0,0]=4 216 B9R1.13 CC(=O)CC1CCCC1 CS-0134561 [0,0,0,1,0,0|0,0,2]=3 217 B9R1.13 CN(C)C[C@@H]1CCCN1 CS-0049613 [0,0,0,1,0,0|3,0,0]=4 218 B9R1.13 O=C(O)CC1CCCC1 CS-W007405 [0,0,0,1,0,0|1,0,1]=3 219 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [0,0,0,1,0,0|2,0,1]=4 220 B9R1.13 O=C(O)CC1CCCO1 CS-0076866 [0,0,0,1,0,0|2,0,1]=4 221 B9R1.13 O=C(O)CC1CCNC1 CS-0052205 [0,0,0,1,0,0|2,0,1]=4 222 B9R1.13 O=C(O)CC1CCOC1 CS-W005250 [0,0,0,1,0,0|2,0,1]=4 223 B9R1.13 O=C(O)CN1CCCC1 CS-W004008 [0,0,0,1,0,0|2,0,1]=4 224 B9R1.13 O=C(O)CN1CCCC1 CS-W020371 [0,0,0,1,0,0|2,0,1]=4 225 B9R1.13 O=C(O)C[C@@H]1CCCN1 CS-0035426 [0,0,0,1,0,0|2,0,1]=4 226 B9R1.13 O=C(O)C[C@@H]1CCNC1 CS-0052117 [0,0,0,1,0,0|2,0,1]=4 227 B9R1.13 O=C(O)C[C@@H]1CCOC1 CS-0155206 [0,0,0,1,0,0|2,0,1]=4 228 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [0,0,0,1,0,0|2,0,1]=4 229 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0035825 [0,0,0,1,0,0|2,0,1]=4 230 B9R1.13 OB(O)CC1CCCC1 CS-0243064 [0,0,0,1,0,0|2,0,0]=3 231 B9R1.13 [C@@H]1(CC(=O)O)CCCN1 CS-W010817 [0,0,0,1,0,0|2,0,1]=4 232 B9R1.40 CC1(C)CCCCC1=O CS-W008668 [0,0,0,1,0,0|2,0,1]=4 233 B9R1.40 CC1(C)CNCCC1O CS-0648750 [0,0,0,1,0,0|3,0,0]=4 234 B9R1.40 CC1(C)COCCC1N CS-0184373 [0,0,0,1,0,0|3,0,0]=4 235 B9R1.40 CC1CNCCC1(F)F CS-0038958 [0,0,0,1,0,0|3,0,0]=4 236 B9R1.40 NC1CCCCC1(F)F CS-W021472 [0,0,0,1,0,0|3,0,0]=4 237 B9R1.41 CC1CCCC1C(=O)O CS-0047145 [0,0,0,1,0,0|1,0,1]=3 238 B9R1.41 CC1CNCC1C(=O)O CS-0460956 [0,0,0,1,0,0|2,0,1]=4 239 B9R1.41 CN1CCCC1C(=O)O CS-B1576 [0,0,0,1,0,0|2,0,1]=4 240 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001861 [0,0,0,1,0,0|2,0,1]=4 241 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,0,0,1,0,0|2,0,1]=4 242 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,0,0,1,0,0|2,0,1]=4 243 B9R1.41 C[C@H](O)[C@@H]1CCCN1C CS-0159084 [0,0,0,1,0,0|1,0,0]=2 244 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CS-0120592 [0,0,0,1,0,0|2,0,1]=4 245 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O CS-0130164 [0,0,0,1,0,0|2,0,1]=4 246 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-0130633 [0,0,0,1,0,0|2,0,1]=4 247 B9R1.50 NC1CCCCCCC1 CS-0155298 [0,0,0,1,0,0|1,0,0]=2 248 B9R1.50 O=C1CCCCCCC1 CS-W007564 [0,0,0,1,0,0|0,0,2]=3 249 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,0,0,1,0,0|1,0,2]=4 250 B9R1.50 OC1C=CCCCCC1 CS-0782885 [0,0,0,1,0,0|0,0,2]=3 251 B9R1.50 OC1CCC=CCCC1 CS-W006126 [0,0,0,1,0,0|0,0,2]=3 252 B9R1.83 CCCCCCC1CO1 CS-0152296 [0,0,0,1,0,0|0,0,0]=1 253 B9R1.83 COCCOCC1CO1 CS-0888964 [0,0,0,1,0,0|2,0,0]=3 254 B9R1.84 O=C(O)CCC1CCC1 CS-0060765 [0,0,0,1,0,0|1,0,1]=3 255 B9R1.148 CC1(O)CNCCOC1 CS-0505489 [0,0,0,1,0,0|2,0,0]=3 256 B9R1.148 FC1(F)CCCNCC1 CS-0051120 [0,0,0,1,0,0|3,0,0]=4 257 B6R0.6 BrCCCCCBr CS-W019956 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.6 C#CCCCCO CS-W016659 [2,0,0,0,0,0|0,0,2]=4 259 B6R0.6 C(CC)=CCCO CS-W009552 [2,0,0,0,0,0|0,0,2]=4 260 B6R0.6 C(CO)=CCCC CS-W016652 [2,0,0,0,0,0|0,0,2]=4 261 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|0,0,2]=4 262 B6R0.6 CCC#CCCO CS-0040171 [2,0,0,0,0,0|0,0,2]=4 263 B6R0.6 CCCCCCI CS-0132388 [2,0,0,0,0,0|1,0,0]=3 264 B6R0.6 CCCCCCN CS-0196786 [2,0,0,0,0,0|1,0,0]=3 265 B6R0.6 CCCNCCC CS-0187381 [2,0,0,0,0,0|1,0,0]=3 266 B6R0.6 CCCNCCC CS-0214120 [2,0,0,0,0,0|1,0,0]=3 267 B6R0.6 CCCNCCO CS-0105782 [2,0,0,0,0,0|1,0,0]=3 268 B6R0.6 CCCOCCCl CS-0200392 [2,0,0,0,0,0|2,0,0]=4 269 B6R0.6 CCNCCCN CS-0151962 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.6 CCOCCCO CS-W013685 [2,0,0,0,0,0|1,0,0]=3 271 B6R0.6 CC\C=C/CCO CS-W011323 [2,0,0,0,0,0|0,0,2]=4 272 B6R0.6 CNCCCCBr CS-0163109 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.6 CNCCCCO CS-W006493 [2,0,0,0,0,0|1,0,0]=3 274 B6R0.6 COCCCCBr CS-W021313 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.6 COCCCCCl CS-0039726 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.6 COCCCCO CS-0150179 [2,0,0,0,0,0|1,0,0]=3 277 B6R0.6 CSCCCCO CS-0204406 [2,0,0,0,0,0|1,0,0]=3 278 B6R0.6 ClCCCCCBr CS-W016940 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.6 ClCCCCCI CS-0135342 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.6 FCCCCCBr CS-W005161 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.6 ICCCCCI CS-0041009 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.6 NCCCCCBr CS-0006784 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.6 NCCCCCN CS-W017466 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.6 NCCCCCO CS-W013687 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.6 NCCNCCO CS-W011299 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.6 NCCOCCO CS-1013822 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.6 NCCOCCO CS-1013830 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.6 NCCOCCO CS-1014116 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.6 OCCCCCBr CS-0905394 [2,0,0,0,0,0|1,0,0]=3 290 B6R0.6 OCCCCCBr CS-W007393 [2,0,0,0,0,0|1,0,0]=3 291 B6R0.6 OCCCCCCl CS-0095410 [2,0,0,0,0,0|1,0,0]=3 292 B6R0.6 OCCCCCI CS-0252955 [2,0,0,0,0,0|1,0,0]=3 293 B6R0.6 OCCCCCO CS-W020635 [2,0,0,0,0,0|1,0,0]=3 294 B6R0.6 OCCNCCCl CS-0064563 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.6 OCCOCCBr CS-0114928 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.6 OCCOCCCl CS-0016058 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.6 OCCOCCF CS-0199113 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.6 OCCOCCI CS-0139452 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.4 C=CCCC(C)O CS-0513969 [2,0,0,0,0,0|0,0,2]=4 300 B6R0.4 CC(Br)CCCBr CS-0204659 [2,0,0,0,0,0|2,0,0]=4 301 B6R0.4 CC(C)CCCBr CS-0154233 [2,0,0,0,0,0|2,0,0]=4 302 B6R0.4 CC(C)CCCO CS-W007511 [2,0,0,0,0,0|2,0,0]=4 303 B6R0.4 CC(O)CCCO CS-0154051 [2,0,0,0,0,0|1,0,0]=3 304 B6R0.4 CCCCB(O)O CS-W000932 [2,0,0,0,0,0|2,0,0]=4 305 B6R0.4 CCCC[C@@H](C)O CS-0179419 [2,0,0,0,0,0|0,0,0]=2 306 B6R0.4 CCCC[C@H](C)O CS-0179420 [2,0,0,0,0,0|0,0,0]=2 307 B6R0.4 CCNCC(C)C CS-0071534 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.4 CNCCC(C)C CS-0039334 [2,0,0,0,0,0|2,0,0]=4 309 B6R0.4 C[C@@H](N)CCCO CS-0634445 [2,0,0,0,0,0|2,0,0]=4 310 B6R0.4 C[C@H](N)CCCO CS-0652529 [2,0,0,0,0,0|2,0,0]=4 311 B8R0.1 CCCCC(O)CCC CS-0362569 [1,1,0,0,0,0|0,0,0]=2 312 B8R0.1 CCCCN(C)CCO CS-0132259 [1,1,0,0,0,0|1,0,0]=3 313 B8R0.4 BrCCCCCCCBr CS-W010166 [1,1,0,0,0,0|1,0,0]=3 314 B8R0.4 BrCCCOCCCBr CS-0526980 [1,1,0,0,0,0|2,0,0]=4 315 B8R0.4 C#CCCCCCCBr CS-0648097 [1,1,0,0,0,0|0,0,2]=4 316 B8R0.4 C#CCCCCCCO CS-W008554 [1,1,0,0,0,0|0,0,1]=3 317 B8R0.4 C=CCCCCCCBr CS-W010733 [1,1,0,0,0,0|0,0,2]=4 318 B8R0.4 C=CCCCCCCO CS-0185603 [1,1,0,0,0,0|0,0,1]=3 319 B8R0.4 CCCC=C=CCCO CS-1173689 [1,1,0,0,0,0|0,0,2]=4 320 B8R0.4 CCCCC#CCCO CS-0315148 [1,1,0,0,0,0|0,0,1]=3 321 B8R0.4 CCCCCCCC=O CS-0138976 [1,1,0,0,0,0|0,0,1]=3 322 B8R0.4 CCCCCCCCBr CS-0076039 [1,1,0,0,0,0|0,0,0]=2 323 B8R0.4 CCCCCCCCI CS-0188391 [1,1,0,0,0,0|0,0,0]=2 324 B8R0.4 CCCCCCCCN CS-0076038 [1,1,0,0,0,0|0,0,0]=2 325 B8R0.4 CCCCCCCCN CS-0179378 [1,1,0,0,0,0|0,0,0]=2 326 B8R0.4 CCCCCCCCO CS-0076037 [1,1,0,0,0,0|0,0,0]=2 327 B8R0.4 CCCCC\C=C\CO CS-0152366 [1,1,0,0,0,0|0,0,1]=3 328 B8R0.4 CCCCOCCCN CS-0130475 [1,1,0,0,0,0|1,0,0]=3 329 B8R0.4 CCCCSCCCC CS-0255960 [1,1,0,0,0,0|0,0,0]=2 330 B8R0.4 COCCNCCOC CS-D1692 [1,1,0,0,0,0|2,0,0]=4 331 B8R0.4 COCCOCCOC CS-0017205 [1,1,0,0,0,0|2,0,0]=4 332 B8R0.4 COCCOCCOC CS-0099019 [1,1,0,0,0,0|2,0,0]=4 333 B8R0.4 ClCCCOCCCCl CS-0169240 [1,1,0,0,0,0|2,0,0]=4 334 B8R0.4 NCCCCCCCN CS-W009537 [1,1,0,0,0,0|1,0,0]=3 335 B8R0.4 NCCCCCCCO CS-0088962 [1,1,0,0,0,0|0,0,0]=2 336 B8R0.4 NCCCOCCCN CS-0207652 [1,1,0,0,0,0|2,0,0]=4 337 B8R0.4 NCCCOCCCO CS-0147757 [1,1,0,0,0,0|1,0,0]=3 338 B8R0.4 OCCCCCCCBr CS-W008425 [1,1,0,0,0,0|0,0,0]=2 339 B8R0.4 OCCCCCCCO CS-W013404 [1,1,0,0,0,0|0,0,0]=2 340 B8R0.4 OCCCNCCCO CS-0186731 [1,1,0,0,0,0|1,0,0]=3 341 B8R0.4 OCCCOCCCCl CS-0147762 [1,1,0,0,0,0|1,0,0]=3 342 B8R0.4 OCCCOCCCO CS-0131092 [1,1,0,0,0,0|1,0,0]=3 343 B8R0.6 C#CC(O)CCCCC CS-W011154 [1,1,0,0,0,0|0,0,2]=4 344 B8R0.6 C=CC(O)CCCCC CS-W011126 [1,1,0,0,0,0|0,0,2]=4 345 B8R0.6 CCCCCC(O)CC CS-0152331 [1,1,0,0,0,0|0,0,0]=2 346 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [1,1,0,0,0,0|0,0,0]=2 347 B8R0.6 COC(=O)CCCCO CS-0021769 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [1,1,0,0,0,0|1,0,1]=4 349 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [1,1,0,0,0,0|1,0,1]=4 350 B8R0.5 CCOC(=O)CC(C)O CS-W013417 [1,1,0,0,0,0|1,0,1]=4 351 B8R0.5 CCOC(=O)C[C@H](C)O CS-0112519 [1,1,0,0,0,0|1,0,1]=4 352 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [1,1,0,0,0,0|1,0,1]=4 353 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [1,1,0,0,0,0|1,0,1]=4 354 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [1,1,0,0,0,0|0,0,2]=4 357 B8R0.28 CC(C)=CCC[C@@H](C)O CS-0726318 [1,1,0,0,0,0|0,0,2]=4 358 B8R0.28 CC(C)CNCC(C)C CS-0154216 [1,1,0,0,0,0|2,0,0]=4 359 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [1,1,0,0,0,0|1,0,1]=4 360 B10R0.3 CC(C)CCCC(C)CCBr CS-W014739 [0,2,0,0,0,0|1,0,0]=3 361 B10R0.3 CC(C)CCCC(C)CCO CS-W010892 [0,2,0,0,0,0|1,0,0]=3 362 B10R0.3 CC(C)CCC[C@H](C)CCO CS-0695932 [0,2,0,0,0,0|1,0,0]=3 363 B10R0.3 CCCC(=O)CCCC(=O)O CS-0323350 [0,2,0,0,0,0|1,0,1]=4 364 B10R0.4 C#CCCCCCCC(=O)O CS-0131147 [0,2,0,0,0,0|1,0,1]=4 365 B10R0.4 CC(=O)SCCCCCCN CS-0437379 [0,2,0,0,0,0|0,0,2]=4 366 B10R0.4 CCCCCCCCB(O)O CS-W000909 [0,2,0,0,0,0|2,0,0]=4 367 B10R0.4 CCCCCCCCC(=O)O CS-0076036 [0,2,0,0,0,0|1,0,1]=4 368 B10R0.4 CCCCOCCOC(C)=O CS-0198135 [0,2,0,0,0,0|0,0,2]=4 369 B10R0.4 NCCCCCCCC(=O)O CS-0661652 [0,2,0,0,0,0|1,0,1]=4 370 B10R0.4 NCCCCCCCC(=O)O CS-W019464 [0,2,0,0,0,0|1,0,1]=4 371 B10R0.4 O=C(O)CCCCCCCBr CS-W007700 [0,2,0,0,0,0|1,0,1]=4 372 B10R0.4 O=C(O)CCCCCCCO CS-0187285 [0,2,0,0,0,0|1,0,1]=4 373 B10R0.6 NCCCC[C@H](N)CC(=O)O CS-0201780 [0,2,0,0,0,0|1,0,1]=4 374 B10R0.22 CCCCCCOS(C)(=O)=O CS-0099480 [0,2,0,0,0,0|1,0,1]=4 375 B10R0.74 CCCCCCCC(=O)NO CS-W001857 [0,2,0,0,0,0|1,0,1]=4 376 B10R0.74 CCCCCCCC(=O)OC CS-0128781 [0,2,0,0,0,0|0,0,2]=4 377 B10R0.74 CCCCCCCC(=O)O[Na] CS-W016055 [0,2,0,0,0,0|1,0,1]=4 378 B10R0.74 COC(=O)CCCCCCBr CS-W004688 [0,2,0,0,0,0|0,0,2]=4 379 B10R0.74 COC(=O)CCCCCCN CS-W004807 [0,2,0,0,0,0|0,0,2]=4 380 B10R0.74 COC(=O)CCCCCCO CS-0059718 [0,2,0,0,0,0|0,0,2]=4 381 B10R0.75 CCCCCCC(N)C(=O)O CS-W016177 [0,2,0,0,0,0|1,0,0]=3 382 B10R0.75 CCCCCCC(O)C(=O)O CS-W016160 [0,2,0,0,0,0|0,0,1]=3 383 B10R0.75 CCCCCC[C@@H](N)C(=O)O CS-0152326 [0,2,0,0,0,0|1,0,0]=3 384 B10R0.75 [C@H](N)(CCCCCC)C(=O)O CS-W006364 [0,2,0,0,0,0|1,0,0]=3 385 B10R0.78 CCCCC(C)CCC(=O)O CS-W010894 [0,2,0,0,0,0|1,0,1]=4 386 B10R0.97 CC(=O)CCCCCC(=O)O CS-0046839 [0,2,0,0,0,0|1,0,1]=4 387 B10R0.62 CCCCCCS(=O)(=O)O[Na] CS-W016807 [0,2,0,0,0,0|2,0,0]=4 388 B10R0.1 CCCCCCC(=O)OCC CS-W010893 [0,2,0,0,0,0|0,0,2]=4 389 B10R0.1 CCCCCCC(O)CCC CS-0320716 [0,2,0,0,0,0|0,0,0]=2 390 B10R0.41 COCCOCC(OC)OC CS-0031352 [0,2,0,0,0,0|2,0,0]=4 391 B10R0.83 CCCCC[C@H](N)C(=O)NC CS-0310534 [0,2,0,0,0,0|0,0,2]=4 392 B10R0.83 CCCCOC(=O)[C@@H](O)CC CS-0148545 [0,2,0,0,0,0|1,0,1]=4 393 B8R1.2 BrCC1CCCCC1 CS-W007517 [1,0,0,1,0,0|1,0,0]=3 394 B8R1.2 BrCC1CCCCO1 CS-0214963 [1,0,0,1,0,0|1,0,0]=3 395 B8R1.2 BrCC1CCNCC1 CS-W001304 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.2 BrCC1CCOCC1 CS-W003105 [1,0,0,1,0,0|2,0,0]=4 397 B8R1.2 C#CC1CCCCC1 CS-W022720 [1,0,0,1,0,0|0,0,2]=4 398 B8R1.2 CCC1CCNCC1 CS-0147296 [1,0,0,1,0,0|1,0,0]=3 399 B8R1.2 CCC1CNCCN1 CS-D0270 [1,0,0,1,0,0|2,0,0]=4 400 B8R1.2 CCC1CNCCO1 CS-0080681 [1,0,0,1,0,0|1,0,0]=3 401 B8R1.2 CCC1COCCN1 CS-0059261 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.2 CC[C@@H]1CNCCO1 CS-0096526 [1,0,0,1,0,0|1,0,0]=3 403 B8R1.2 CC[C@@H]1COCCN1 CS-0146937 [1,0,0,1,0,0|2,0,0]=4 404 B8R1.2 CC[C@@H]1COCCN1 CS-0146943 [1,0,0,1,0,0|2,0,0]=4 405 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [1,0,0,1,0,0|2,0,0]=4 406 B8R1.2 CC[C@H]1CNCCO1 CS-0100795 [1,0,0,1,0,0|1,0,0]=3 407 B8R1.2 CC[C@H]1COCCN1 CS-0146945 [1,0,0,1,0,0|2,0,0]=4 408 B8R1.2 CNC1CCCNC1 CS-W016863 [1,0,0,1,0,0|2,0,0]=4 409 B8R1.2 CNC1CCNCC1 CS-0048783 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.2 CNC1CCOCC1 CS-D1570 [1,0,0,1,0,0|2,0,0]=4 411 B8R1.2 COC1CCCCO1 CS-0197358 [1,0,0,1,0,0|1,0,0]=3 412 B8R1.2 COC1CCCNC1 CS-0051284 [1,0,0,1,0,0|2,0,0]=4 413 B8R1.2 COC1CCCNC1 CS-0150202 [1,0,0,1,0,0|2,0,0]=4 414 B8R1.2 COC1CCNCC1 CS-0040128 [1,0,0,1,0,0|2,0,0]=4 415 B8R1.2 COC1CCNCC1 CS-W005038 [1,0,0,1,0,0|2,0,0]=4 416 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [1,0,0,1,0,0|2,0,0]=4 418 B8R1.2 CSC1CCNCC1 CS-0051141 [1,0,0,1,0,0|2,0,0]=4 419 B8R1.2 ClCC1CCNCC1 CS-0051167 [1,0,0,1,0,0|2,0,0]=4 420 B8R1.2 ClCC1CCOCC1 CS-0069602 [1,0,0,1,0,0|2,0,0]=4 421 B8R1.2 ClCC1CNCCO1 CS-0060823 [1,0,0,1,0,0|2,0,0]=4 422 B8R1.2 FCC1CCCNC1 CS-W001354 [1,0,0,1,0,0|2,0,0]=4 423 B8R1.2 ICC1CCCCC1 CS-0155327 [1,0,0,1,0,0|1,0,0]=3 424 B8R1.2 ICC1CCCCO1 CS-0058218 [1,0,0,1,0,0|1,0,0]=3 425 B8R1.2 ICC1CCOCC1 CS-W001910 [1,0,0,1,0,0|2,0,0]=4 426 B8R1.2 N#CC1CCCCC1 CS-W019522 [1,0,0,1,0,0|1,0,1]=4 427 B8R1.2 NCC1CCCCN1 CS-W011240 [1,0,0,1,0,0|2,0,0]=4 428 B8R1.2 NCC1CCCNC1 CS-0028231 [1,0,0,1,0,0|2,0,0]=4 429 B8R1.2 NCC1CCCOC1 CS-0048770 [1,0,0,1,0,0|2,0,0]=4 430 B8R1.2 NCC1CCNCC1 CS-W011241 [1,0,0,1,0,0|2,0,0]=4 431 B8R1.2 NCC1CCOCC1 CS-0036420 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.2 NCC1CCOCC1 CS-W008973 [1,0,0,1,0,0|2,0,0]=4 433 B8R1.2 NCC1CCSCC1 CS-0045666 [1,0,0,1,0,0|2,0,0]=4 434 B8R1.2 NCC1CNCCO1 CS-0046184 [1,0,0,1,0,0|2,0,0]=4 435 B8R1.2 NCC1COCCO1 CS-0055041 [1,0,0,1,0,0|2,0,0]=4 436 B8R1.2 NC[C@@H]1COCCO1 CS-0037059 [1,0,0,1,0,0|2,0,0]=4 437 B8R1.2 NC[C@H]1COCCO1 CS-0053454 [1,0,0,1,0,0|2,0,0]=4 438 B8R1.2 NNC1CCCCC1 CS-W007595 [1,0,0,1,0,0|2,0,0]=4 439 B8R1.2 NOC1CCCCO1 CS-W007325 [1,0,0,1,0,0|2,0,0]=4 440 B8R1.2 OCC1CC=CCC1 CS-W013655 [1,0,0,1,0,0|0,0,2]=4 441 B8R1.2 OCC1CCCCC1 CS-W011242 [1,0,0,1,0,0|0,0,0]=2 442 B8R1.2 OCC1CCCCN1 CS-W013620 [1,0,0,1,0,0|1,0,0]=3 443 B8R1.2 OCC1CCCCO1 CS-0034490 [1,0,0,1,0,0|1,0,0]=3 444 B8R1.2 OCC1CCCNC1 CS-W001981 [1,0,0,1,0,0|1,0,0]=3 445 B8R1.2 OCC1CCCOC1 CS-D0478 [1,0,0,1,0,0|1,0,0]=3 446 B8R1.2 OCC1CCNCC1 CS-0185406 [1,0,0,1,0,0|1,0,0]=3 447 B8R1.2 OCC1CCNCC1 CS-W002476 [1,0,0,1,0,0|1,0,0]=3 448 B8R1.2 OCC1CCOCC1 CS-D1227 [1,0,0,1,0,0|1,0,0]=3 449 B8R1.2 OCC1CCSCC1 CS-0053969 [1,0,0,1,0,0|1,0,0]=3 450 B8R1.2 OCC1CNCCN1 CS-0146587 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.2 OCC1CNCCO1 CS-0106282 [1,0,0,1,0,0|2,0,0]=4 452 B8R1.2 OCC1CNCCO1 CS-W022892 [1,0,0,1,0,0|2,0,0]=4 453 B8R1.2 OCC1COCCN1 CS-0053095 [1,0,0,1,0,0|2,0,0]=4 454 B8R1.2 OCC1COCCN1 CS-0104915 [1,0,0,1,0,0|2,0,0]=4 455 B8R1.2 OCC1COCCO1 CS-0130467 [1,0,0,1,0,0|2,0,0]=4 456 B8R1.2 OC[C@@H]1CCCCN1 CS-W001568 [1,0,0,1,0,0|1,0,0]=3 457 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [1,0,0,1,0,0|1,0,0]=3 458 B8R1.2 OC[C@@H]1CCCNC1 CS-W018674 [1,0,0,1,0,0|1,0,0]=3 459 B8R1.2 OC[C@@H]1CNCCN1 CS-0146586 [1,0,0,1,0,0|2,0,0]=4 460 B8R1.2 OC[C@@H]1CNCCO1 CS-W003855 [1,0,0,1,0,0|2,0,0]=4 461 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.2 OC[C@@H]1COCCO1 CS-0041581 [1,0,0,1,0,0|2,0,0]=4 464 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [1,0,0,1,0,0|1,0,0]=3 465 B8R1.2 OC[C@H]1CCCNC1 CS-0133006 [1,0,0,1,0,0|1,0,0]=3 466 B8R1.2 OC[C@H]1CCCNC1 CS-W019674 [1,0,0,1,0,0|1,0,0]=3 467 B8R1.2 OC[C@H]1CNCCN1 CS-0042552 [1,0,0,1,0,0|2,0,0]=4 468 B8R1.2 OC[C@H]1CNCCN1 CS-0106317 [1,0,0,1,0,0|2,0,0]=4 469 B8R1.2 OC[C@H]1CNCCO1 CS-0108806 [1,0,0,1,0,0|2,0,0]=4 470 B8R1.2 OC[C@H]1CNCCO1 CS-W003761 [1,0,0,1,0,0|2,0,0]=4 471 B8R1.2 OC[C@H]1COCCN1 CS-0031401 [1,0,0,1,0,0|2,0,0]=4 472 B8R1.2 OC[C@H]1COCCN1 CS-W006711 [1,0,0,1,0,0|2,0,0]=4 473 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [1,0,0,1,0,0|2,0,0]=4 474 B8R1.2 ONC1CCCCC1 CS-0155321 [1,0,0,1,0,0|1,0,0]=3 475 B8R1.5 CC1CCCCC1N CS-W013646 [1,0,0,1,0,0|1,0,0]=3 476 B8R1.5 CC1CNCCC1O CS-0051241 [1,0,0,1,0,0|1,0,0]=3 477 B8R1.5 CC1CNCCN1C CS-W005051 [1,0,0,1,0,0|2,0,0]=4 478 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [1,0,0,1,0,0|1,0,0]=3 479 B8R1.5 C[C@@H]1CNCCN1C CS-0006864 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.5 C[C@@H]1CNCCN1C CS-0053508 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.5 C[C@@H]1CNCC[C@H]1O CS-0051211 [1,0,0,1,0,0|1,0,0]=3 482 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [1,0,0,1,0,0|1,0,0]=3 483 B8R1.5 C[C@H]1CNCCN1C CS-0006863 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.5 C[C@H]1CNCCN1C CS-0053455 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.5 Cl[C@@H]1CCCC[C@H]1Cl CS-0455908 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.5 NC1CCCCC1N CS-0514846 [1,0,0,1,0,0|2,0,0]=4 487 B8R1.5 NC1CCCCC1O CS-0128497 [1,0,0,1,0,0|1,0,0]=3 488 B8R1.5 NC1CCCCC1O CS-0330487 [1,0,0,1,0,0|1,0,0]=3 489 B8R1.5 N[C@@H]1CCCC[C@@H]1O CS-W008418 [1,0,0,1,0,0|1,0,0]=3 490 B8R1.5 N[C@@H]1CCCC[C@H]1F CS-0038959 [1,0,0,1,0,0|2,0,0]=4 491 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0062471 [1,0,0,1,0,0|1,0,0]=3 493 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0096323 [1,0,0,1,0,0|1,0,0]=3 494 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W003455 [1,0,0,1,0,0|1,0,0]=3 495 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W005443 [1,0,0,1,0,0|1,0,0]=3 496 B8R1.5 N[C@@H]1CCOC[C@@H]1O CS-0049677 [1,0,0,1,0,0|2,0,0]=4 497 B8R1.5 N[C@@H]1CCOC[C@H]1O CS-0053238 [1,0,0,1,0,0|2,0,0]=4 498 B8R1.5 N[C@@H]1COCC[C@H]1O CS-0053305 [1,0,0,1,0,0|2,0,0]=4 499 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [1,0,0,1,0,0|1,0,0]=3 500 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [1,0,0,1,0,0|1,0,0]=3 501 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [1,0,0,1,0,0|2,0,0]=4 502 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0134767 [1,0,0,1,0,0|1,0,0]=3 503 B8R1.5 N[C@H]1CCCC[C@H]1O CS-W008152 [1,0,0,1,0,0|1,0,0]=3 504 B8R1.5 N[C@H]1CCOC[C@@H]1O CS-0029596 [1,0,0,1,0,0|2,0,0]=4 505 B8R1.5 O=C1CCCCC1O CS-0262973 [1,0,0,1,0,0|1,0,1]=4 506 B8R1.5 OC1CCCCC1Cl CS-W016535 [1,0,0,1,0,0|1,0,0]=3 507 B8R1.5 OC1CCCCC1O CS-0155355 [1,0,0,1,0,0|1,0,0]=3 508 B8R1.5 O[C@@H]1CCCC[C@H]1O CS-W011230 [1,0,0,1,0,0|1,0,0]=3 509 B8R1.5 O[C@@H]1CNCC[C@H]1F CS-0053301 [1,0,0,1,0,0|2,0,0]=4 510 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [1,0,0,1,0,0|1,0,0]=3 511 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0058642 [1,0,0,1,0,0|2,0,0]=4 512 B8R1.5 O[C@H]1CNCC[C@H]1O CS-0049724 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.8 BrCCC1OCCO1 CS-W019935 [1,0,0,1,0,0|2,0,0]=4 514 B8R1.8 BrCCN1CCCC1 CS-0040578 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.8 CCO[C@@H]1CCNC1 CS-0053329 [1,0,0,1,0,0|2,0,0]=4 516 B8R1.8 CNCC1CCCN1 CS-0162490 [1,0,0,1,0,0|2,0,0]=4 517 B8R1.8 CNCC1CCOC1 CS-0048865 [1,0,0,1,0,0|2,0,0]=4 518 B8R1.8 CNC[C@@H]1CCCN1 CS-0162015 [1,0,0,1,0,0|2,0,0]=4 519 B8R1.8 COCC1CCNC1 CS-0058668 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [1,0,0,1,0,0|2,0,0]=4 522 B8R1.8 ClCCN1CCCC1 CS-D1148 [1,0,0,1,0,0|2,0,0]=4 523 B8R1.8 N#CCC1CCCC1 CS-0060786 [1,0,0,1,0,0|1,0,1]=4 524 B8R1.8 NCCC1CCCC1 CS-W006125 [1,0,0,1,0,0|1,0,0]=3 525 B8R1.8 NCCN1CCCC1 CS-D1372 [1,0,0,1,0,0|2,0,0]=4 526 B8R1.8 OCCC1CCCC1 CS-0055010 [1,0,0,1,0,0|0,0,0]=2 527 B8R1.8 OCCC1CCCO1 CS-0451231 [1,0,0,1,0,0|1,0,0]=3 528 B8R1.8 OCCC1CCOC1 CS-0240119 [1,0,0,1,0,0|1,0,0]=3 529 B8R1.8 OCCN1CCOC1 CS-0374348 [1,0,0,1,0,0|2,0,0]=4 530 B8R1.8 OCC[C@H]1CCCN1 CS-0572825 [1,0,0,1,0,0|1,0,0]=3 531 B8R1.11 CCC1CCCC1=O CS-0152470 [1,0,0,1,0,0|0,0,2]=4 532 B8R1.11 CN1CCCC1CN CS-0128646 [1,0,0,1,0,0|2,0,0]=4 533 B8R1.11 CN1CCCC1CO CS-W019511 [1,0,0,1,0,0|1,0,0]=3 534 B8R1.11 CN1CCC[C@@H]1CN CS-0053069 [1,0,0,1,0,0|2,0,0]=4 535 B8R1.11 CN1CCC[C@@H]1CO CS-W003381 [1,0,0,1,0,0|1,0,0]=3 536 B8R1.11 CN1CCC[C@H]1CBr CS-0112933 [1,0,0,1,0,0|2,0,0]=4 537 B8R1.11 CN1CCC[C@H]1CN CS-0053063 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.11 CN1CCC[C@H]1CN CS-0128648 [1,0,0,1,0,0|2,0,0]=4 539 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [1,0,0,1,0,0|1,0,0]=3 540 B8R1.11 CO[C@@H]1CNC[C@H]1O CS-0047754 [1,0,0,1,0,0|2,0,0]=4 541 B8R1.11 C[C@H]1CNC[C@@H]1CO CS-0172749 [1,0,0,1,0,0|1,0,0]=3 542 B8R1.11 N#C[C@@H]1CCC[C@H]1O CS-0160316 [1,0,0,1,0,0|1,0,1]=4 543 B8R1.11 O=C1CCCC1CO CS-0136671 [1,0,0,1,0,0|1,0,1]=4 544 B8R1.11 OC[C@H]1OCC[C@@H]1O CS-0089202 [1,0,0,1,0,0|2,0,0]=4 545 B8R1.22 BrC1CCCCCC1 CS-0146614 [1,0,0,1,0,0|1,0,0]=3 546 B8R1.22 CC1CCCNCC1 CS-0199646 [1,0,0,1,0,0|1,0,0]=3 547 B8R1.22 CN1CCCNCC1 CS-W013631 [1,0,0,1,0,0|2,0,0]=4 548 B8R1.22 ClC1CCCCCC1 CS-0155300 [1,0,0,1,0,0|1,0,0]=3 549 B8R1.22 FC1CCCCNC1 CS-0308682 [1,0,0,1,0,0|2,0,0]=4 550 B8R1.22 NC1CCCCCC1 CS-0071927 [1,0,0,1,0,0|1,0,0]=3 551 B8R1.22 NC1CCCCNC1 CS-W002928 [1,0,0,1,0,0|2,0,0]=4 552 B8R1.22 NC1CCCNCC1 CS-0271304 [1,0,0,1,0,0|2,0,0]=4 553 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [1,0,0,1,0,0|2,0,0]=4 554 B8R1.22 N[C@H]1CCCCNC1 CS-0147270 [1,0,0,1,0,0|2,0,0]=4 555 B8R1.22 OC1CCCCCC1 CS-W013633 [1,0,0,1,0,0|0,0,0]=2 556 B8R1.22 OC1CCCCNC1 CS-0475252 [1,0,0,1,0,0|1,0,0]=3 557 B8R1.22 OC1CCCNCC1 CS-0038201 [1,0,0,1,0,0|1,0,0]=3 558 B8R1.22 O[C@@H]1CNCCOC1 CS-0311689 [1,0,0,1,0,0|2,0,0]=4 559 B8R1.22 O[C@H]1CNCCOC1 CS-0340560 [1,0,0,1,0,0|2,0,0]=4 560 B8R1.22 O[C@H]1CNCCOC1 CS-0641374 [1,0,0,1,0,0|2,0,0]=4 561 B8R1.36 CCCCCC1CO1 CS-0205209 [1,0,0,1,0,0|0,0,0]=2 562 B8R1.49 C1=CCCCCCC1 CS-0035172 [1,0,0,1,0,0|0,0,2]=4 563 B8R1.49 C1CCCNCCC1 CS-0204387 [1,0,0,1,0,0|1,0,0]=3 564 B8R1.1 COC1CCC(N)C1 CS-0051286 [1,0,0,1,0,0|2,0,0]=4 565 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [1,0,0,1,0,0|2,0,0]=4 566 B8R1.1 OC[C@H]1C[C@@H](O)CN1 CS-0181811 [1,0,0,1,0,0|2,0,0]=4 567 B8R1.1 OC[C@H]1C[C@H](O)CN1 CS-0053224 [1,0,0,1,0,0|2,0,0]=4 568 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [1,0,0,1,0,0|1,0,1]=4 569 B8R1.4 CC1CCCC(N)C1 CS-D0430 [1,0,0,1,0,0|1,0,0]=3 570 B8R1.4 CC1CNCC(C)N1 CS-W013629 [1,0,0,1,0,0|2,0,0]=4 571 B8R1.4 CC1COCC(C)N1 CS-0075433 [1,0,0,1,0,0|2,0,0]=4 572 B8R1.4 CN1CCCC(N)C1 CS-W003989 [1,0,0,1,0,0|2,0,0]=4 573 B8R1.4 CN1CCC[C@@H](N)C1 CS-0030803 [1,0,0,1,0,0|2,0,0]=4 574 B8R1.4 CN1CCC[C@@H](N)C1 CS-0053341 [1,0,0,1,0,0|2,0,0]=4 575 B8R1.4 CN1CCC[C@H](N)C1 CS-0053774 [1,0,0,1,0,0|2,0,0]=4 576 B8R1.4 CN1CCC[C@H](N)C1 CS-W021153 [1,0,0,1,0,0|2,0,0]=4 577 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [1,0,0,1,0,0|2,0,0]=4 578 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-0088046 [1,0,0,1,0,0|1,0,0]=3 579 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-W005832 [1,0,0,1,0,0|1,0,0]=3 580 B8R1.4 C[C@@H]1CNC[C@H](C)C1 CS-0139658 [1,0,0,1,0,0|2,0,0]=4 581 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0084653 [1,0,0,1,0,0|2,0,0]=4 582 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0112796 [1,0,0,1,0,0|2,0,0]=4 583 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0015754 [1,0,0,1,0,0|1,0,0]=3 584 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0995219 [1,0,0,1,0,0|1,0,0]=3 585 B8R1.4 C[C@H]1CNC[C@@H](C)N1 CS-W013630 [1,0,0,1,0,0|2,0,0]=4 586 B8R1.4 C[C@H]1CNC[C@@H](C)O1 CS-0008437 [1,0,0,1,0,0|1,0,0]=3 587 B8R1.4 C[C@H]1CNC[C@H](C)O1 CS-0102294 [1,0,0,1,0,0|1,0,0]=3 588 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0049722 [1,0,0,1,0,0|2,0,0]=4 589 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0057260 [1,0,0,1,0,0|2,0,0]=4 590 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0102260 [1,0,0,1,0,0|2,0,0]=4 591 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0147828 [1,0,0,1,0,0|2,0,0]=4 592 B8R1.4 NC1CCCC(N)C1 CS-0129557 [1,0,0,1,0,0|2,0,0]=4 593 B8R1.4 NC1CCCC(O)C1 CS-W005423 [1,0,0,1,0,0|1,0,0]=3 594 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0047790 [1,0,0,1,0,0|1,0,0]=3 595 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0134685 [1,0,0,1,0,0|1,0,0]=3 596 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0112892 [1,0,0,1,0,0|1,0,0]=3 597 B8R1.4 N[C@H]1CCC[C@@H](N)C1 CS-0047588 [1,0,0,1,0,0|2,0,0]=4 598 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|0,0,2]=4 599 B8R1.7 CC(C)[C@H]1CCNC1 CS-0053334 [1,0,0,1,0,0|2,0,0]=4 600 B8R1.7 CC(N)C1CCCC1 CS-0052581 [1,0,0,1,0,0|1,0,0]=3 601 B8R1.7 CC(N)C1CCOC1 CS-0263398 [1,0,0,1,0,0|2,0,0]=4 602 B8R1.7 CC(O)C1CCCC1 CS-0144924 [1,0,0,1,0,0|0,0,0]=2 603 B8R1.7 C[C@H](N)C1CCCC1 CS-0135384 [1,0,0,1,0,0|1,0,0]=3 604 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|1,0,1]=4 605 B8R1.7 OB(O)C1CCCC1 CS-W000955 [1,0,0,1,0,0|2,0,0]=4 606 B8R1.19 CC1(C)CCCC1O CS-0072492 [1,0,0,1,0,0|2,0,0]=4 607 B8R1.19 C[C@@]1(O)CCC[C@H]1N CS-0105761 [1,0,0,1,0,0|1,0,0]=3 608 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|1,0,1]=4 609 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [1,0,0,1,0,0|1,0,1]=4 610 B8R1.72 CC1(C)CCNCC1 CS-W005691 [1,0,0,1,0,0|2,0,0]=4 611 B8R1.72 CC1(F)CCNCC1 CS-0187010 [1,0,0,1,0,0|2,0,0]=4 612 B8R1.72 CC1(N)CCOCC1 CS-0039635 [1,0,0,1,0,0|2,0,0]=4 613 B8R1.72 CC1(N)CCOCC1 CS-W018780 [1,0,0,1,0,0|2,0,0]=4 614 B8R1.72 CC1(O)CCCCC1 CS-W013634 [1,0,0,1,0,0|0,0,0]=2 615 B8R1.72 CC1(O)CCCNC1 CS-0051242 [1,0,0,1,0,0|1,0,0]=3 616 B8R1.72 CC1(O)CCCNC1 CS-0183561 [1,0,0,1,0,0|1,0,0]=3 617 B8R1.72 CC1(O)CCNCC1 CS-B1024 [1,0,0,1,0,0|1,0,0]=3 618 B8R1.72 CC1(O)CCNCC1 CS-M0531 [1,0,0,1,0,0|1,0,0]=3 619 B8R1.72 CC1(O)CCNCC1 CS-W004838 [1,0,0,1,0,0|1,0,0]=3 620 B8R1.72 CC1(O)CCOCC1 CS-W006621 [1,0,0,1,0,0|1,0,0]=3 621 B8R1.72 C[C@@]1(O)CCCNC1 CS-0184477 [1,0,0,1,0,0|1,0,0]=3 622 B8R1.72 C[N+]1(C)CCCCC1 CS-W018164 [1,0,0,1,0,0|2,0,0]=4 623 B10R1.13 CC(C)C1CCC(=O)CC1 CS-W011030 [0,1,0,1,0,0|1,0,1]=4 624 B10R1.13 CC(C)N1CCC(N)CC1 CS-W021344 [0,1,0,1,0,0|2,0,0]=4 625 B10R1.13 CC(C)N1CCC(O)CC1 CS-W019184 [0,1,0,1,0,0|2,0,0]=4 626 B10R1.13 CC1CCC(C(=O)O)CC1 CS-0096911 [0,1,0,1,0,0|1,0,1]=4 627 B10R1.13 CC1CCC(C(C)C)CC1 CS-0742316 [0,1,0,1,0,0|1,0,0]=3 628 B10R1.13 CN(C)C1CCC(N)CC1 CS-0142728 [0,1,0,1,0,0|2,0,0]=4 629 B10R1.13 CN(C)C1CCC(N)CC1 CS-0142729 [0,1,0,1,0,0|2,0,0]=4 630 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 CS-0142733 [0,1,0,1,0,0|2,0,0]=4 631 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,1,0,1,0,0|1,0,1]=4 632 B10R1.13 NC1CCC(C(=O)O)CC1 CS-W016414 [0,1,0,1,0,0|1,0,1]=4 633 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 CS-0017964 [0,1,0,1,0,0|1,0,1]=4 634 B10R1.13 O=C(O)C1CCC(O)CC1 CS-W016391 [0,1,0,1,0,0|1,0,1]=4 635 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 CS-0049675 [0,1,0,1,0,0|1,0,1]=4 636 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 CS-M0763 [0,1,0,1,0,0|1,0,1]=4 637 B10R1.13 [C@H]1(N)CC[C@@H](C(=O)O)CC1 CS-W005514 [0,1,0,1,0,0|1,0,1]=4 638 B10R1.13 [C@H]1(N)CC[C@H](C(=O)O)CC1 CS-W008392 [0,1,0,1,0,0|1,0,1]=4 639 B10R1.14 COC(=O)C1CCC(O)C1 CS-0150733 [0,1,0,1,0,0|1,0,1]=4 640 B10R1.150 COC(=O)CC1CC(O)C1 CS-0049208 [0,1,0,1,0,0|1,0,1]=4 641 B10R1.171 CC1(C)CNC[C@@H](CO)O1 CS-0129997 [0,1,0,1,0,0|2,0,0]=4 642 B10R1.171 CC1(C)CNC[C@H](CO)O1 CS-0129999 [0,1,0,1,0,0|2,0,0]=4 643 B10R1.10 CCCC1CCCC(=O)O1 CS-W018288 [0,1,0,1,0,0|1,0,1]=4 644 B10R1.10 COCC1CNCC(C)O1 CS-0236261 [0,1,0,1,0,0|1,0,0]=3 645 B10R1.10 N[C@@H]1CCCN(CCO)C1 CS-0343609 [0,1,0,1,0,0|2,0,0]=4 646 B10R1.16 CCCCC1CCC(=O)O1 CS-W018278 [0,1,0,1,0,0|1,0,1]=4 647 B10R1.18 CC(=O)CC1CCCCC1 CS-0155063 [0,1,0,1,0,0|0,0,2]=4 648 B10R1.18 CC(C)C[C@@H]1COCCN1 CS-0154321 [0,1,0,1,0,0|2,0,0]=4 649 B10R1.18 CC(C)NC1CCCCC1 CS-0075695 [0,1,0,1,0,0|1,0,0]=3 650 B10R1.18 CN(C)CC1CCNCC1 CS-0061716 [0,1,0,1,0,0|2,0,0]=4 651 B10R1.18 CN(C)CC1CCNCC1 CS-0463318 [0,1,0,1,0,0|2,0,0]=4 652 B10R1.18 O=C(O)CC1CCCCC1 CS-W019439 [0,1,0,1,0,0|1,0,1]=4 653 B10R1.18 O=C(O)CC1CCCCN1 CS-0217095 [0,1,0,1,0,0|1,0,1]=4 654 B10R1.18 O=C(O)CC1CCCCO1 CS-0069618 [0,1,0,1,0,0|1,0,1]=4 655 B10R1.18 O=C(O)CC1CCCNC1 CS-0037060 [0,1,0,1,0,0|1,0,1]=4 656 B10R1.18 O=C(O)CC1CCCNC1 CS-W001896 [0,1,0,1,0,0|1,0,1]=4 657 B10R1.18 O=C(O)CC1CCCOC1 CS-0120163 [0,1,0,1,0,0|1,0,1]=4 658 B10R1.18 O=C(O)CC1CCNCC1 CS-W001879 [0,1,0,1,0,0|1,0,1]=4 659 B10R1.18 O=C(O)CC1CCNCC1 CS-W002877 [0,1,0,1,0,0|1,0,1]=4 660 B10R1.18 O=C(O)CC1CCOCC1 CS-W001906 [0,1,0,1,0,0|1,0,1]=4 661 B10R1.18 O=C(O)CN1CCCCC1 CS-0067848 [0,1,0,1,0,0|1,0,1]=4 662 B10R1.18 OB(O)CC1CCCCC1 CS-W000907 [0,1,0,1,0,0|2,0,0]=4 663 B10R1.61 CC1CCCCC1C(=O)O CS-W018286 [0,1,0,1,0,0|1,0,1]=4 664 B10R1.61 CC1NCCCC1C(=O)O CS-0196596 [0,1,0,1,0,0|1,0,1]=4 665 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N CS-0090931 [0,1,0,1,0,0|2,0,0]=4 666 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N CS-0103160 [0,1,0,1,0,0|2,0,0]=4 667 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O CS-0151359 [0,1,0,1,0,0|2,0,0]=4 668 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N CS-W018664 [0,1,0,1,0,0|2,0,0]=4 669 B10R1.61 CN1CCCCC1C(=O)O CS-W021361 [0,1,0,1,0,0|1,0,1]=4 670 B10R1.61 CN1CCCC[C@@H]1C(=O)O CS-0030802 [0,1,0,1,0,0|1,0,1]=4 671 B10R1.61 CN1CCCC[C@H]1C(=O)O CS-W021154 [0,1,0,1,0,0|1,0,1]=4 672 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O CS-0131300 [0,1,0,1,0,0|1,0,1]=4 673 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O CS-0130250 [0,1,0,1,0,0|1,0,1]=4 674 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O CS-0131302 [0,1,0,1,0,0|1,0,1]=4 675 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O CS-0130601 [0,1,0,1,0,0|1,0,1]=4 676 B10R1.61 O=C(O)C1CCCCC1O CS-W006852 [0,1,0,1,0,0|1,0,1]=4 677 B10R1.66 O=C(O)CCC1CCCC1 CS-W018280 [0,1,0,1,0,0|1,0,1]=4 678 B10R1.66 O=C(O)CCN1CCCC1 CS-0035766 [0,1,0,1,0,0|1,0,1]=4 679 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [0,1,0,1,0,0|0,0,2]=4 680 B10R1.133 CC1(C)CCCN1CCN CS-0498618 [0,1,0,1,0,0|2,0,0]=4 681 B10R1.348 O=C(O)C1CCCCCC1 CS-W007921 [0,1,0,1,0,0|1,0,1]=4 682 B10R1.348 O=C(O)C1CCCCCN1 CS-0054144 [0,1,0,1,0,0|1,0,1]=4 683 B10R1.28 CC(C)(C)C1CCNCC1 CS-0139146 [0,1,0,1,0,0|2,0,0]=4 684 B10R1.28 CC(C)(O)C1CCCCC1 CS-0051915 [0,1,0,1,0,0|0,0,0]=2 685 B10R1.28 CC(C)(O)C1CCCNC1 CS-0356337 [0,1,0,1,0,0|1,0,0]=3 686 B10R1.28 CC(C)(O)C1CCNCC1 CS-0052213 [0,1,0,1,0,0|1,0,0]=3 687 B10R1.95 CC1(C)OCC(CCO)O1 CS-W006546 [0,1,0,1,0,0|2,0,0]=4 688 B10R1.95 CC1(C)OC[C@@H](CCO)O1 CS-0139581 [0,1,0,1,0,0|2,0,0]=4 689 B10R1.1 CCCC1CCC(=O)CC1 CS-W002273 [0,1,0,1,0,0|0,0,2]=4 690 B10R1.1 CCO[C@H]1CC[C@H](N)CC1 CS-0434286 [0,1,0,1,0,0|2,0,0]=4 691 B10R1.1 NCCN1CCC(O)CC1 CS-0067956 [0,1,0,1,0,0|2,0,0]=4 692 B10R1.1 NCCN1CCC(O)CC1 CS-0137985 [0,1,0,1,0,0|2,0,0]=4 693 B10R1.15 CCC(=O)C1CCCCC1 CS-0069673 [0,1,0,1,0,0|0,0,2]=4 694 B10R1.15 CCC(O)C1CCNCC1 CS-0083895 [0,1,0,1,0,0|1,0,0]=3 695 B10R1.15 CC[C@H](N)C1CCCCC1 CS-0153930 [0,1,0,1,0,0|1,0,0]=3 696 B10R1.15 N#CC(N)C1CCCCC1 CS-0226681 [0,1,0,1,0,0|1,0,1]=4 697 B10R1.15 N[C@@H](CO)C1CCCCC1 CS-0088060 [0,1,0,1,0,0|1,0,0]=3 698 B10R1.15 N[C@H](CO)C1CCCCC1 CS-0028729 [0,1,0,1,0,0|1,0,0]=3 699 B10R1.15 O=C(CBr)C1CCCCC1 CS-W020448 [0,1,0,1,0,0|0,0,2]=4 700 B10R1.161 OCC1CCCCCCC1 CS-0072541 [0,1,0,1,0,0|0,0,0]=2 701 B10R1.161 ON=C1CCCCCCC1 CS-0368253 [0,1,0,1,0,0|0,0,1]=3 702 B10R1.23 CC(C(=O)O)C1CCCC1 CS-0137663 [0,1,0,1,0,0|1,0,1]=4 703 B10R1.23 C[C@H](O)C(=O)N1CCCC1 CS-0059827 [0,1,0,1,0,0|1,0,1]=4 704 B10R1.23 NC(C(=O)O)C1CCCC1 CS-W021543 [0,1,0,1,0,0|1,0,1]=4 705 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 CS-D0303 [0,1,0,1,0,0|1,0,1]=4 706 B10R1.23 O=C(O)C(Br)C1CCCC1 CS-0029561 [0,1,0,1,0,0|1,0,1]=4 707 B10R1.23 [C@@H](N)(C(=O)O)C1CCCC1 CS-W008530 [0,1,0,1,0,0|1,0,1]=4 708 B10R1.113 CC1CCCC(C(=O)O)C1 CS-0204578 [0,1,0,1,0,0|1,0,1]=4 709 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,1,0,1,0,0|1,0,1]=4 710 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,1,0,1,0,0|1,0,1]=4 711 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W022616 [0,1,0,1,0,0|1,0,1]=4 712 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 CS-0049713 [0,1,0,1,0,0|1,0,1]=4 713 B10R1.113 O=C(O)C1CCCC(O)C1 CS-0155422 [0,1,0,1,0,0|1,0,1]=4 714 B10R1.204 N[C@@H](CC1CCC1)C(=O)O CS-D0035 [0,1,0,1,0,0|1,0,1]=4 715 B10R1.204 N[C@H](CC1CCC1)C(=O)O CS-D0034 [0,1,0,1,0,0|1,0,1]=4 716 B10R1.363 CC(C)C1(O)CCCCC1 CS-0069571 [0,1,0,1,0,0|1,0,0]=3 717 B10R1.363 CC1(C(=O)O)CCCCC1 CS-0153762 [0,1,0,1,0,0|1,0,1]=4 718 B10R1.363 NC1(C(=O)O)CCCCC1 CS-W016418 [0,1,0,1,0,0|1,0,1]=4 719 B10R1.363 O=C(O)C1(F)CCCCC1 CS-0139139 [0,1,0,1,0,0|1,0,1]=4 720 B10R1.363 O=C(O)C1(O)CCCCC1 CS-W005132 [0,1,0,1,0,0|1,0,1]=4 721 B10R1.138 CCCC(=O)OC[C@@H]1CO1 CS-0135409 [0,1,0,1,0,0|1,0,1]=4 722 B10R1.138 CCCC(=O)OC[C@H]1CO1 CS-D1790 [0,1,0,1,0,0|1,0,1]=4 723 B10R1.140 CCOC(=O)C1CC(O)C1 CS-0044007 [0,1,0,1,0,0|1,0,1]=4 724 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 CS-0053099 [0,1,0,1,0,0|1,0,1]=4 725 B10R2.62 NC1CN2CCC1CC2 CS-M0938 [0,0,0,2,0,0|2,0,0]=4 726 B10R2.62 N[C@@H]1CN2CCC1CC2 CS-B0281 [0,0,0,2,0,0|2,0,0]=4 727 B10R2.62 N[C@@H]1CN2CCC1CC2 CS-M1833 [0,0,0,2,0,0|2,0,0]=4 728 B10R2.62 N[C@H]1CN2CCC1CC2 CS-0102163 [0,0,0,2,0,0|2,0,0]=4 729 B10R2.62 N[C@H]1CN2CCC1CC2 CS-D0599 [0,0,0,2,0,0|2,0,0]=4 730 B10R2.71 CN1CC2CCC(C1)N2 CS-0051261 [0,0,0,2,0,0|2,0,0]=4 731 B10R2.71 O=C1CC2CCC(C1)O2 CS-0049936 [0,0,0,2,0,0|1,0,1]=4 732 B10R2.71 OC1CC2CCC(C1)N2 CS-W019387 [0,0,0,2,0,0|1,0,0]=3 733 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)N2 CS-0049365 [0,0,0,2,0,0|1,0,0]=3 734 B10R2.99 OCC1CC2CCC1C2 CS-W013494 [0,0,0,2,0,0|2,0,0]=4 735 B10R2.109 C=CC1CCC2OC2C1 CS-W013521 [0,0,0,2,0,0|0,0,2]=4 736 B10R2.534 O=C1CCCC2(CC2)C1 CS-0048695 [0,0,0,2,0,0|0,0,2]=4 737 B10R2.534 OC1=NC2(CCC1)CC2 CS-0044076 [0,0,0,2,0,0|1,0,1]=4 738 B10R2.6 C1CC(C2CC2)CCN1 CS-0047362 [0,0,0,2,0,0|2,0,0]=4 739 B10R2.196 ClC1(Cl)C2CCCCC21 CS-W016078 [0,0,0,2,0,0|2,0,0]=4 740 B10R2.351 O=C(O)C1C2CCCC21 CS-0046674 [0,0,0,2,0,0|1,0,1]=4 741 B10R2.2 NN1CC2CCCC2C1 CS-W010850 [0,0,0,2,0,0|2,0,0]=4 742 B10R2.32 [C@@H]12CCO[C@@H]1OC[C@@H]2O CS-W018655 [0,0,0,2,0,0|2,0,0]=4 743 B10R2.332 OC1CCC2(CNC2)C1 CS-0055549 [0,0,0,2,0,0|1,0,0]=3 744 B10R2.18 C1CCCC2OC2CC1 CS-0450617 [0,0,0,2,0,0|0,0,0]=2 745 B10R2.638 O=C(O)C1CC12CCC2 CS-0048697 [0,0,0,2,0,0|1,0,1]=4