0 B6R0.6 C#CCNCC=C CS-0441299 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCSCCO CS-0215012 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 C=CCCCCI CS-0236133 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C=CCNCC#N CS-0225637 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 C=CCNCCO CS-0129478 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.6 C=CCOCCBr CS-0215137 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 CC#CCCCO CS-0047308 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 CCCCCCN CS-1055481 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 CCCOCCBr CS-0249030 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 CNCC#CCO CS-0366443 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CNCCCCN CS-0149907 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 CSCCCCN CS-0808415 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 NCCCCCS CS-0528493 [0,0,0,0,0,0|2,1,0]=3 13 B6R0.6 NCCOCCF CS-0656223 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 NCCSCCO CS-0214940 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 C#CCNCC CS-0434596 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.2 C#CCNOC CS-0246742 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 CC#CCCN CS-0075398 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CCCCCN CS-0214107 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 CCCCCN CS-0468686 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 CCNCCCl CS-0072216 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.2 CCSCCN CS-0140655 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.2 CC[Se][Se]CC CS-0331556 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.2 CNCCCBr CS-0775766 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.2 CSCCCCl CS-0307998 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.2 C\C=C\CCBr CS-0245338 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 NCC#CCO CS-0967867 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.2 NNCCCO CS-0742218 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.2 NOCCCS CS-0308423 [1,0,0,0,0,0|2,1,0]=4 29 B7R0.1 C#CCNCCCN CS-0523368 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.1 C=CCCCCCN CS-0239363 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.1 CC#CCCCCO CS-0232984 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.1 CCCCCCCCl CS-0204709 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.1 CCCCCCCI CS-0152148 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.1 CCCCCCNO CS-1023249 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.1 CCCCNCC#N CS-0323723 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.1 CCCCOCCN CS-0454484 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.1 CCCC\C=C\CO CS-0185682 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.1 CCCNCCCN CS-0739607 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.1 CCCNNCCC CS-0751063 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.1 CCCOCCCBr CS-0960548 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.1 CCCOCCCO CS-0235577 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.1 CC\C=C/CCCO CS-0185758 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.1 CNCCCCCN CS-0301759 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.1 COCCCCCBr CS-0261752 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.1 COCCOCCCl CS-0700581 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.1 COCCOCCN CS-0115789 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.1 CSCCCCCO CS-0233668 [0,1,0,0,0,0|1,1,0]=3 48 B7R0.1 ClCCSSCCCl CS-0696726 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.1 FCCCCCCBr CS-0451811 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.1 N#CCCNCCO CS-0158481 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.1 NCCCOCCO CS-0036940 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.1 NCCOCCCO CS-0238974 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.1 NCCOCCCO CS-0376731 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.1 NCCOCCON CS-0528757 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.1 OCCCCCCI CS-0511928 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.3 CC(C#N)NCCO CS-0239359 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.3 CC(CN)CCCN CS-0168135 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.3 CC(CO)CCCN CS-0224450 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.3 CCC(=O)NCCN CS-0678602 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.3 CCC(=O)NCCN CS-0760118 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.3 CCC(=O)OCCO CS-0516698 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.3 CCC(N)CCCO CS-0236618 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.3 CCC(O)CCCN CS-0263098 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.3 CCC(O)CCCN CS-1026727 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.3 CCCCC(Br)CBr CS-0297339 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.3 CCCCC(N)CO CS-0091368 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.3 CCCNC(=O)CC CS-0225875 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.3 CCCNC(C)CO CS-0450070 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.3 CCCOC(C)CN CS-0365085 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.3 CCONC(=O)CO CS-0747635 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.3 COCCC(N)CO CS-0106481 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.3 CSCCC(N)CO CS-0091223 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.3 NCC(Cl)CCCCl CS-0319681 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.3 OC(CCl)CCCCl CS-0224667 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.4 C#CCCCC(C)O CS-0243899 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.4 C#CCNCC(=O)O CS-0076488 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.4 C=CCCCC(C)O CS-0231877 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.4 CC(Br)CCCCO CS-0902597 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.4 CC(C)CCCCN CS-0262512 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.4 CC(C)CNCCO CS-0961264 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.4 CC(C)COCCO CS-0308916 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.4 CC(C)NCCCO CS-0715621 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.4 CC(C)OCCCO CS-0258072 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.4 CCCNCC(=O)O CS-0297938 [0,1,0,0,0,0|1,0,1]=3 85 B7R0.4 CCCNCC(F)F CS-0075467 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.4 CNCCCC(C)O CS-0242809 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.4 NCCCCC(=O)O CS-0214080 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.4 NCCSCC(=O)O CS-0230315 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.4 NCCSCC(F)F CS-0260319 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.4 O=C(O)CCCCO CS-W022392 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.7 CCCC(C)CCO CS-0216041 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.7 CCCC(N)CCC CS-0206199 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.7 CCCC(O)CCN CS-0241763 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.7 CCC\C(C)=C\CO CS-0258444 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.7 CCOC(C)CCO CS-0523568 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.7 CN(CCO)CCO CS-0510507 [0,1,0,0,0,0|0,0,0]=1 97 B7R0.7 CNCC(C)CCO CS-0239160 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.7 COCC(N)CCO CS-0217710 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.7 CSCC(N)CCO CS-0262815 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.7 O=C(CCO)CCO CS-0139423 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.7 O=C(NCO)NCO CS-0064471 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.1 C#C[C@@H]1CCCN1 CS-0448955 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.1 C#C[C@H]1CCCN1 CS-0468593 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.1 C#C[C@H]1CCCO1 CS-0681741 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.1 CCC1CCCC1 CS-0634975 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.1 FCC1CCCN1 CS-0184179 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.1 NCC1CCCS1 CS-0230826 [0,0,0,1,0,0|2,1,0]=4 108 B7R1.1 NC[C@H]1CCCN1 CS-0466272 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.1 OCC1=CCCC1 CS-0234175 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.1 OCC1C=CCC1 CS-0341069 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 OCC1COCO1 CS-W019304 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.1 [C@@H]1(CN)CCCN1 CS-W016651 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.3 BrC1=CCCNC1 CS-0341834 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.3 C=C1CCCNC1 CS-0217259 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.3 CC1CCCCN1 CS-0666428 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.3 CC1CNCCS1 CS-0006426 [0,0,0,1,0,0|1,1,0]=3 117 B7R1.3 F[C@H]1CCCNC1 CS-0053267 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.3 NC1CCCNC1 CS-W005316 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.3 N[C@@H]1CCCOC1 CS-0183316 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.3 N[C@H]1CCCOC1 CS-0046122 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.3 OC1C=CCNC1 CS-0060460 [0,0,0,1,0,0|1,0,1]=3 122 B7R1.3 O[C@H]1C=CCCC1 CS-0263308 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.3 SC1CCCNC1 CS-0048753 [0,0,0,1,0,0|1,1,0]=3 124 B7R1.3 [C@H]1(O)CCCOC1 CS-W007290 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.4 CC1CNCC1C CS-0172207 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.4 C[C@@H]1CCC[C@@H]1N CS-0197543 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.4 C[C@@H]1CNC[C@@H]1N CS-0310325 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.4 C[C@@H]1NCC[C@@H]1O CS-0501476 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.4 C[C@H]1COC[C@@H]1N CS-0184287 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.4 F[C@H]1CNC[C@@H]1F CS-0782193 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.4 NC1CCCC1Br CS-0230543 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.4 NC1CCCC1Cl CS-0230256 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.4 NC1CCCC1N CS-0197792 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-0368662 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-0513808 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.4 N[C@@H]1CCC[C@H]1F CS-0311814 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.4 N[C@@H]1CCC[C@H]1N CS-0356557 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049723 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0029555 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.4 N[C@@H]1COC[C@H]1N CS-0053226 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.4 N[C@@H]1COC[C@H]1O CS-0046712 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.4 N[C@H]1COC[C@@H]1N CS-0058692 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.4 N[C@H]1COC[C@@H]1O CS-0184532 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.4 N[C@H]1COC[C@H]1F CS-0092759 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.4 OC1CCCC1O CS-0451973 [0,0,0,1,0,0|1,0,0]=2 147 B7R1.4 OC1CNCC1O CS-0083889 [0,0,0,1,0,0|0,0,0]=1 148 B7R1.4 OC1CNCC1O CS-0496937 [0,0,0,1,0,0|0,0,0]=1 149 B7R1.4 OC1COCC1Br CS-0487203 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.4 O[C@@H]1CCC[C@H]1O CS-0782195 [0,0,0,1,0,0|1,0,0]=2 151 B7R1.4 O[C@@H]1CNC[C@@H]1F CS-0058738 [0,0,0,1,0,0|1,0,0]=2 152 B7R1.4 O[C@H]1CCC[C@@H]1O CS-0058322 [0,0,0,1,0,0|1,0,0]=2 153 B7R1.4 O[C@H]1CNC[C@H]1F CS-0502667 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.4 O[C@H]1COC[C@@H]1O CS-0173155 [0,0,0,1,0,0|1,0,0]=2 155 B7R1.4 [C@@H]1(N)CCC[C@H]1O CS-0031413 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.6 BrCCC1CCC1 CS-0623989 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.6 NCCC1CCC1 CS-0135451 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.6 NCCC1CCO1 CS-0052220 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.6 OCC=C1CCC1 CS-0232584 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.6 OCCC1CCC1 CS-0054337 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.6 OCCC1CCO1 CS-0052219 [0,0,0,1,0,0|1,0,0]=2 162 B7R1.6 OCCC1CNC1 CS-0052250 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.6 OCC[C@@H]1CCO1 CS-0623027 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.7 CCCNC1CC1 CS-0506986 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.7 CCCNC1CC1 CS-0670952 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.7 ClCCOC1CC1 CS-0074137 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.7 N#CCNC1CC1 CS-0450813 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.7 NCCCC1CC1 CS-0700627 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.7 OCCCC1CC1 CS-0224534 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.8 NCC1CCC1F CS-0045560 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.8 OCC1CCC1F CS-0045492 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.8 OC[C@H]1CC[C@H]1O CS-0499615 [0,0,0,1,0,0|1,0,0]=2 173 B7R1.9 N#CC1CC1CO CS-0654804 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.9 NCC1CC1CO CS-0056025 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.9 NC[C@@H]1C[C@H]1CN CS-0623167 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.9 NC[C@H]1C[C@H]1CO CS-0444092 [0,0,0,1,0,0|2,0,0]=3 177 B4R0.2 CCCNC CS-0312281 [2,0,0,0,0,0|1,0,0]=3 178 B4R0.2 CCCNN CS-0670498 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.2 CCNCC CS-0214083 [2,0,0,0,0,0|0,0,0]=2 180 B4R0.2 COCCN CS-0468680 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.2 NCCCF CS-0088913 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.1 C=CC[C@H](N)CO CS-0325766 [1,1,0,0,0,0|1,0,1]=4 183 B6R0.1 CCC(C)CCCl CS-0257596 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.1 CCC(N)CCO CS-0757410 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.1 CCC(O)CCN CS-0252993 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.1 CCC(O)CCO CS-0224666 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.1 CCCC(=O)CO CS-0239089 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.1 CCCC(Br)CC CS-0320329 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.1 CCCC(C)CBr CS-0296949 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.1 CCCC(C)CCl CS-0621759 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.1 CCCC(N)CC CS-0714492 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.1 CCNC(=O)CN CS-0213253 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.1 CCNC(C)CC CS-0441021 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.1 CCOC(C)CN CS-0148791 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.1 CCS(=O)CCN CS-0299668 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.1 CNCC(C)CO CS-0263897 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.1 CN[C@@H](C)CCO CS-0802797 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.1 CN[C@H](C)CCO CS-0858605 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.1 COCC(N)CO CS-0091346 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.1 CSC(C)CCO CS-0242025 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.1 CSCC(C)CO CS-0242026 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.1 C[C@H](CO)CCO CS-0197580 [1,1,0,0,0,0|0,0,0]=2 203 B6R0.1 NCC(N)CCO CS-0262956 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.1 NCCC(O)CO CS-0212807 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.1 N[C@@H](CO)CCO CS-0091341 [1,1,0,0,0,0|0,0,0]=2 206 B6R0.1 N[C@H](CS)CCS CS-0146136 [1,1,0,0,0,0|0,2,0]=4 207 B6R0.1 O=C(CO)CCO CS-0734935 [1,1,0,0,0,0|0,0,1]=3 208 B6R0.1 OCC[C@H](O)CCl CS-0127558 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.4 C#CCCC(C)O CS-0242593 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.4 C=C(C)CCCO CS-0132697 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.4 CC(C)NCC#N CS-0251174 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.4 CC(C)NCC#N CS-0433313 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.4 CC(C)SCCO CS-0317867 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.4 CC(Cl)CCCCl CS-0668755 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.4 CCNCC(C)N CS-0244889 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.4 CCNCC(N)=O CS-0236893 [1,1,0,0,0,0|0,0,2]=4 217 B6R0.4 NC(=S)NCCO CS-0262853 [1,1,0,0,0,0|0,1,1]=4 218 B6R0.4 NCCCC(F)F CS-0098955 [1,1,0,0,0,0|2,0,0]=4 219 B8R0.1 C#CCCN(C)CCO CS-0248964 [0,2,0,0,0,0|1,0,0]=3 220 B8R0.1 C#CCN(C)CCOC CS-0308687 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.1 CCCC(=O)OCCO CS-0161345 [0,2,0,0,0,0|2,0,0]=4 222 B8R0.1 CCCCC(C)CCO CS-0752013 [0,2,0,0,0,0|2,0,0]=4 223 B8R0.1 COCC(=O)NCCO CS-0236163 [0,2,0,0,0,0|0,0,1]=3 224 B8R0.1 COCCC(C)CCBr CS-0257580 [0,2,0,0,0,0|2,0,0]=4 225 B8R0.4 CCCCNCCC#N CS-0206432 [0,2,0,0,0,0|2,0,0]=4 226 B8R0.4 CCCCNCCCC CS-0361244 [0,2,0,0,0,0|2,0,0]=4 227 B8R0.4 CCCCNCCCO CS-0232004 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.4 CCOCCOCCN CS-0973780 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.4 CNCCCCCCO CS-0666233 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.4 COCCCCCCN CS-0237509 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.4 COCCOCCC#N CS-0209786 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.4 COCCOCCCN CS-0150163 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.4 [N-]=[N+]=NCCOCCO CS-0644778 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.6 C#C[C@@H](O)CCCCC CS-0204536 [0,2,0,0,0,0|2,0,0]=4 235 B8R0.6 CC(C#N)NCCCO CS-0239292 [0,2,0,0,0,0|1,0,1]=4 236 B8R0.6 CCC(C)CCCCO CS-0831637 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.6 CCCCCC(O)CO CS-0205339 [0,2,0,0,0,0|2,0,0]=4 238 B8R0.6 COC(=O)CSCCO CS-0256430 [0,2,0,0,0,0|1,0,1]=4 239 B8R0.6 COCCCC(C)CBr CS-0257579 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.7 CC(C)COCCCO CS-0264507 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.7 CC(C)OCCCCO CS-0237374 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.7 CCCOCCC(=O)O CS-0489295 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.7 CN(C)CCCCCO CS-0264623 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.7 COCCCCB(O)O CS-0177304 [0,2,0,0,0,0|2,0,0]=4 245 B8R0.7 COCCNCC(F)F CS-0253473 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.7 COCCNCC(N)=O CS-0252712 [0,2,0,0,0,0|0,0,2]=4 247 B8R0.7 COCCOCC(C)N CS-0263320 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.7 COCCOCC(C)O CS-0234032 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.3 CCC(=O)N(C)CCO CS-0835971 [0,2,0,0,0,0|1,0,1]=4 250 B8R0.3 CCCC(O)C(N)CO CS-0242609 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.3 CN(CCO)C(=O)CBr CS-0244518 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.8 CCCNC(C)C(=O)O CS-0277958 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.8 C[C@H](N)C(=O)NCCO CS-0230769 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.8 N[C@@H](CCCO)C(=O)O CS-0437642 [0,2,0,0,0,0|1,0,1]=4 255 B8R0.9 CC(C)CCC(C)CO CS-0757876 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.9 CCC(C)CCC(C)O CS-0453462 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.19 CC(CO)NC(=O)CCl CS-0210008 [0,2,0,0,0,0|1,0,1]=4 258 B8R0.19 CC(CO)NC(C)CO CS-0336324 [0,2,0,0,0,0|0,0,0]=2 259 B8R0.25 CC(C)(CN)CCCO CS-0225996 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.25 CC(C)(CN)OCCO CS-0239507 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.25 CCCCC(C)(C)CO CS-0354548 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.25 CCCCC(C)(N)CO CS-0529949 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.5 CC(=O)CN(C)CCO CS-0357534 [0,2,0,0,0,0|0,0,2]=4 264 B8R0.5 CC(C)CC(C)CCO CS-0943719 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.5 CC(O)CN(C)CCO CS-1014333 [0,2,0,0,0,0|0,0,0]=2 266 B8R0.5 CCCC(C)CC(C)O CS-0510700 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.5 CN(CCO)CC(=O)O CS-0661185 [0,2,0,0,0,0|0,0,1]=3 268 B8R0.21 CC(C)(O)CNCCO CS-0209993 [0,2,0,0,0,0|0,0,0]=2 269 B8R0.21 NCCNCC(F)(F)F CS-0262619 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.21 OCCSCC(F)(F)F CS-0239657 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.28 CC(O)CNCC(F)F CS-0242311 [0,2,0,0,0,0|1,0,0]=3 272 B8R0.22 CCCC(CCO)SC CS-W013304 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.22 CCN(CCN)CCO CS-0234279 [0,2,0,0,0,0|1,0,0]=3 274 B8R0.30 OCCC(F)(F)CCO CS-0180953 [0,2,0,0,0,0|1,0,0]=3 275 B6R1.1 C1=NCCCC1 CS-0643658 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.2 Br[C@@H]1CCNC1 CS-0223803 [1,0,0,1,0,0|1,0,0]=3 277 B6R1.2 CC1CCNC1 CS-0451382 [1,0,0,1,0,0|1,0,0]=3 278 B6R1.2 CC1COCO1 CS-0204301 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.2 CC1SCCS1 CS-0365126 [1,0,0,1,0,0|1,1,0]=4 280 B6R1.2 ClC1CCOC1 CS-W004265 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.2 NC1CCNC1 CS-W004336 [1,0,0,1,0,0|1,0,0]=3 282 B6R1.2 NC1CCSC1 CS-0046717 [1,0,0,1,0,0|2,0,0]=4 283 B6R1.2 O[C@@H]1C=CCC1 CS-1136917 [1,0,0,1,0,0|1,0,1]=4 284 B6R1.2 O[C@@H]1CCSC1 CS-0171629 [1,0,0,1,0,0|1,0,0]=3 285 B6R1.2 SC1CCNC1 CS-0185425 [1,0,0,1,0,0|0,1,0]=3 286 B6R1.2 SC1CCSC1 CS-0232805 [1,0,0,1,0,0|1,1,0]=4 287 B6R1.2 S[C@H]1CCNC1 CS-0185417 [1,0,0,1,0,0|0,1,0]=3 288 B6R1.2 [C@@H]1(N)CCNC1 CS-W016678 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.3 N#CCC1CO1 CS-0877276 [1,0,0,1,0,0|1,0,1]=4 290 B6R1.4 CC1NCC1F CS-0184006 [1,0,0,1,0,0|1,0,0]=3 291 B6R1.4 CC1OCC1N CS-0312215 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.4 CC1OCC1O CS-0051834 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.4 C[C@@H]1NCC1F CS-0478356 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.4 C[C@@H]1NC[C@@H]1F CS-0517876 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.4 C[C@H]1NCC1F CS-0478355 [1,0,0,1,0,0|1,0,0]=3 296 B6R1.4 C[C@H]1NC[C@@H]1O CS-0782278 [1,0,0,1,0,0|0,0,0]=2 297 B6R1.4 C[C@H]1NC[C@H]1F CS-0478354 [1,0,0,1,0,0|1,0,0]=3 298 B6R1.4 NC1CCC1O CS-0310362 [1,0,0,1,0,0|1,0,0]=3 299 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0049745 [1,0,0,1,0,0|1,0,0]=3 300 B6R1.4 N[C@@H]1CC[C@H]1N CS-0474240 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045478 [1,0,0,1,0,0|1,0,0]=3 302 B6R1.4 N[C@H]1CC[C@@H]1O CS-0183307 [1,0,0,1,0,0|1,0,0]=3 303 B6R1.4 N[C@H]1CC[C@H]1O CS-0784768 [1,0,0,1,0,0|1,0,0]=3 304 B6R1.4 OC1CCC1O CS-0683326 [1,0,0,1,0,0|0,0,0]=2 305 B6R1.4 O[C@@H]1CC[C@H]1O CS-0504665 [1,0,0,1,0,0|0,0,0]=2 306 B6R1.4 O[C@H]1CC[C@H]1O CS-0504664 [1,0,0,1,0,0|0,0,0]=2 307 B6R1.6 BrCC1CCO1 CS-0045505 [1,0,0,1,0,0|1,0,0]=3 308 B6R1.6 BrC[C@@H]1CCO1 CS-0310467 [1,0,0,1,0,0|1,0,0]=3 309 B6R1.6 BrC[C@H]1CCO1 CS-0530005 [1,0,0,1,0,0|1,0,0]=3 310 B6R1.6 FCC1CCN1 CS-0056652 [1,0,0,1,0,0|1,0,0]=3 311 B6R1.6 FC[C@@H]1CCN1 CS-0056653 [1,0,0,1,0,0|1,0,0]=3 312 B6R1.6 N#C[C@@H]1CCN1 CS-0049776 [1,0,0,1,0,0|1,0,1]=4 313 B6R1.6 N#C[C@@H]1CCN1 CS-0523072 [1,0,0,1,0,0|1,0,1]=4 314 B6R1.6 NCC1CCN1 CS-0049914 [1,0,0,1,0,0|1,0,0]=3 315 B6R1.6 NC[C@@H]1CCO1 CS-0179911 [1,0,0,1,0,0|1,0,0]=3 316 B6R1.6 NC[C@H]1CCO1 CS-0102901 [1,0,0,1,0,0|1,0,0]=3 317 B6R1.6 OCC1CCN1 CS-0637637 [1,0,0,1,0,0|0,0,0]=2 318 B6R1.6 OCC1CSC1 CS-0045518 [1,0,0,1,0,0|2,0,0]=4 319 B6R1.6 OC[C@@H]1CCN1 CS-0148327 [1,0,0,1,0,0|0,0,0]=2 320 B6R1.8 CC1CC1CBr CS-0266125 [1,0,0,1,0,0|2,0,0]=4 321 B6R1.8 CC1CC1CO CS-0251356 [1,0,0,1,0,0|1,0,0]=3 322 B6R1.8 C[C@H]1C[C@H]1CO CS-0183080 [1,0,0,1,0,0|1,0,0]=3 323 B6R1.8 OCC1CC1Cl CS-0222738 [1,0,0,1,0,0|1,0,0]=3 324 B8R1.2 BrCC1CCCNC1 CS-0112575 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.2 BrCC1CCCOC1 CS-D0475 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.2 C#CC1CCCCO1 CS-0216262 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.2 C#CC1COCCN1 CS-0377036 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.2 C#C[C@@H]1CCCNC1 CS-0477939 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.2 C#C[C@H]1CCCNC1 CS-0477940 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.2 CCC1CNCCN1 CS-0665316 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.2 CC[C@@H]1CCCCN1 CS-0153926 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.2 CC[C@H]1CNCCO1 CS-0094360 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.2 COC1CNCCO1 CS-0231487 [0,1,0,1,0,0|0,0,0]=2 334 B8R1.2 CO[C@H]1CCCNC1 CS-0053773 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.2 ClCC1CCCOC1 CS-0257569 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.2 ClCC1COCCO1 CS-0308903 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.2 FCC1CCCCN1 CS-0055507 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.2 FC[C@@H]1CCCCN1 CS-0055508 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.2 ICC1CCCOC1 CS-0490610 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.2 N#CC1CCCCO1 CS-0047273 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.2 N#CC1COCCN1 CS-0377056 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.2 N#CC1COCCO1 CS-0358046 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.2 N#CC1CSCCO1 CS-0230155 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.2 N#C[C@H]1CCCNC1 CS-0053248 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.2 NCC1CCCOC1 CS-0183335 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.2 NCC1CCOCO1 CS-0222075 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.2 NCC1COCCO1 CS-0139722 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.2 NCC1CSCCN1 CS-0482214 [0,1,0,1,0,0|1,1,0]=4 349 B8R1.2 NC[C@@H]1CCCCO1 CS-0505550 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.2 NC[C@@H]1CCCOC1 CS-0053040 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.2 NC[C@H]1CCCCO1 CS-0505548 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.2 NOC1CCCCC1 CS-0210389 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.2 OCC1=CCCOC1 CS-0250417 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.2 OCC1=COCCO1 CS-0355043 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.2 OCC1C=CCCC1 CS-0236598 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.2 OCC1CCCCS1 CS-0231221 [0,1,0,1,0,0|1,1,0]=4 357 B8R1.2 OCC1CCCNC1 CS-0210714 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.2 OC[C@@H]1CCCCO1 CS-0136660 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.2 OC[C@@H]1COCCO1 CS-0962537 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.2 OC[C@H]1CCCCO1 CS-0185314 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.2 OC[C@H]1CCCOC1 CS-0185312 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.5 CC1CCNCC1O CS-0050806 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.5 CC1CNCCS1=O CS-0262039 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.5 CC1NCCSC1C CS-0261962 [0,1,0,1,0,0|1,1,0]=4 365 B8R1.5 C[C@@H]1CCCC[C@H]1O CS-0256393 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.5 C[C@@H]1CNCC[C@@H]1O CS-0503480 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.5 C[C@@H]1NCCN[C@@H]1C CS-0475120 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.5 C[C@H]1CCCC[C@@H]1O CS-0256400 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.5 C[C@H]1CCCC[C@H]1O CS-0343026 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.5 C[C@H]1CCNC[C@@H]1O CS-0036436 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.5 C[C@H]1CNCC[C@@H]1O CS-0906736 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.5 F[C@H]1CCNC[C@@H]1F CS-0054840 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.5 F[C@H]1CCNC[C@H]1F CS-0049725 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.5 NC1CCOCC1O CS-0104804 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.5 N[C@@H]1CCOC[C@H]1O CS-0029597 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.5 N[C@@H]1COCC[C@@H]1O CS-0029590 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.5 N[C@@H]1COCC[C@@H]1O CS-0058644 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.5 N[C@@H]1COCC[C@@H]1O CS-0184483 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0655689 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.5 O=C1CCNC[C@@H]1F CS-0503409 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.5 OC1CCCCC1F CS-0205461 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.5 OC1OCCOC1O CS-0072145 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.5 O[C@@H]1CCNC[C@@H]1F CS-0102297 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.5 O[C@@H]1CCNC[C@H]1F CS-0021964 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.5 O[C@@H]1CCOC[C@@H]1F CS-0058688 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.5 O[C@H]1CCCC[C@@H]1O CS-0180922 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.5 O[C@H]1CCNC[C@@H]1F CS-0021965 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.5 O[C@H]1CCNC[C@@H]1F CS-0035996 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0021967 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0039754 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.5 O[C@H]1CCOC[C@@H]1F CS-0172852 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.8 BrCCC1CCOC1 CS-0240277 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.8 C#CCC1CCCN1 CS-0236064 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.8 CNCC1CCCO1 CS-0145099 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.8 COCC1CCCN1 CS-0210541 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.8 COC[C@@H]1CCCN1 CS-0199813 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.8 N#CCC1OCCO1 CS-0439141 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.8 NCCC1CCOC1 CS-0309773 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.8 OCCC1CCCN1 CS-0051801 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.8 OCCC1CCCN1 CS-0068093 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.8 OCCC1OCCO1 CS-0217470 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.9 CC1CC1NCCO CS-0248966 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.10 N#CCNC1COC1 CS-0504748 [0,1,0,1,0,0|1,0,1]=4 404 B8R1.10 OCCCC1CNC1 CS-0309712 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.10 OCCCC1COC1 CS-0183077 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.10 OCCOC1CCC1 CS-0222004 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.11 C#CC1CCCC1O CS-0449997 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.11 C#C[C@@H]1CCC[C@H]1O CS-0525036 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.11 CC1CCNC1CO CS-0236300 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.11 CC1CCOC1CO CS-0623290 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.11 CC1COCC1CO CS-0199773 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.11 CCC1CNCC1O CS-0224680 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.11 CN1CCCC1CBr CS-0208884 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.11 CN[C@@H]1CCC[C@@H]1O CS-0310334 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.11 CN[C@@H]1CCC[C@H]1O CS-0782269 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.11 CN[C@H]1CCC[C@H]1O CS-0309651 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.11 CO[C@@H]1CCC[C@@H]1N CS-0172826 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.11 CO[C@@H]1CNC[C@@H]1O CS-0053237 [0,1,0,1,0,0|0,0,0]=2 419 B8R1.11 CO[C@@H]1CNC[C@H]1O CS-0368617 [0,1,0,1,0,0|0,0,0]=2 420 B8R1.11 CO[C@@H]1COC[C@H]1N CS-0657402 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.11 CO[C@H]1CCC[C@@H]1N CS-0305937 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.11 CO[C@H]1CCC[C@H]1N CS-0184253 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.11 CO[C@H]1CNC[C@@H]1F CS-0047756 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.11 CO[C@H]1CNC[C@@H]1F CS-0782293 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.11 CO[C@H]1CNC[C@@H]1O CS-0469952 [0,1,0,1,0,0|0,0,0]=2 426 B8R1.11 CO[C@H]1CNC[C@H]1F CS-0036147 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.11 CO[C@H]1CNC[C@H]1O CS-0055739 [0,1,0,1,0,0|0,0,0]=2 428 B8R1.11 C[C@H]1CNC[C@@H]1CO CS-W021186 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.11 C[C@H]1OCC[C@H]1CO CS-0037749 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.11 N#C[C@@H]1COC[C@H]1O CS-0781900 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.11 NC1COCC1CO CS-0725617 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.11 NC[C@@H]1COC[C@@H]1O CS-0049693 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.11 OC[C@H]1NCC[C@@H]1O CS-0467460 [0,1,0,1,0,0|0,0,0]=2 434 B8R1.13 COC[C@@H]1CC[C@H]1N CS-0309919 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.13 O=C1CCC1CCO CS-0474220 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.22 BrC1CCCOCC1 CS-0252969 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.22 CC1CCCCCN1 CS-0283284 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.22 CC1CCNCCN1 CS-W022406 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.22 CC1CCOCCN1 CS-0197639 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.22 CC1CCOCCN1 CS-0528792 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.22 CC1CNCCCO1 CS-0038165 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.22 CC1CNCCCO1 CS-0376799 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.22 CC1CNCCNC1 CS-0070493 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.22 CC1CNCCOC1 CS-0443259 [0,1,0,1,0,0|1,0,0]=3 445 B8R1.22 CC1COCCCN1 CS-0308295 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.22 C[C@@H]1CCCCCN1 CS-0310322 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.22 C[C@H]1CCCCCN1 CS-0310323 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.22 FC1CNCCOC1 CS-0802793 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.22 F[C@H]1CCCCNC1 CS-0494405 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.22 NC1CCCOCC1 CS-0136869 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.22 NC1CNCCNC1 CS-0696934 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.22 NC1CNCCOC1 CS-0506029 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.22 O=C1CCCNCC1 CS-0440296 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.22 O=C1CNCCOC1 CS-0505955 [0,1,0,1,0,0|0,0,2]=4 455 B8R1.22 OC1CCCCNC1 CS-0342050 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.22 OC1CCCOCC1 CS-0136871 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.22 OC1CNCCNC1 CS-0183774 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.22 OC1CNCCNC1 CS-0185374 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.22 OC1CNCCOC1 CS-0215333 [0,1,0,1,0,0|0,0,0]=2 460 B8R1.22 O[C@@H]1CCCCNC1 CS-0491086 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.22 O[C@H]1CCCNCC1 CS-0492739 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.36 ClCCCCC1CO1 CS-0971025 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.36 OCCNCC1CC1 CS-0454122 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.49 C1CCOCCNC1 CS-0452743 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.49 C1CNCCCNC1 CS-0664725 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.49 C1COCOCCN1 CS-0231368 [0,1,0,1,0,0|0,0,0]=2 467 B8R1.1 CC1CCC(CI)O1 CS-0234150 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.1 C[C@@H]1CC[C@H](CO)N1 CS-0223902 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.1 C[C@@H]1CN[C@H](CO)C1 CS-0444309 [0,1,0,1,0,0|1,0,0]=3 470 B8R1.1 C[C@H]1CC[C@@H](CO)O1 CS-0447512 [0,1,0,1,0,0|1,0,0]=3 471 B8R1.1 NC1CCC(CO)C1 CS-0656340 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.1 NCC1CCC(O)C1 CS-0038957 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.1 N[C@H]1CC[C@@H](CO)C1 CS-0369206 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.1 N[C@H]1CC[C@@H](CO)C1 CS-0533656 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.1 N[C@H]1CN[C@H](CO)C1 CS-0001909 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.1 OCC1CC(F)CN1 CS-1186474 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.1 OCC1CCC(F)C1 CS-0055813 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.1 OCC1CCC(O)C1 CS-0108613 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 CS-0055815 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.1 OC[C@@H]1CC[C@H](F)C1 CS-0055814 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.1 OC[C@@H]1CC[C@H](O)C1 CS-0913631 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.1 OC[C@H]1C[C@H](F)CN1 CS-0505016 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.3 CC1CCC(C)NC1 CS-0283194 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.3 CC1CNC(C)CN1 CS-0106273 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.3 CC1COC(C)CN1 CS-0340928 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 CS-0266789 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 CS-0057827 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.3 C[C@@H]1CC[C@H](O)CN1 CS-0116221 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.3 C[C@H]1CC[C@H](O)CN1 CS-0057821 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.3 C[C@H]1CC[C@H](O)CN1 CS-0213545 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.3 C[C@H]1CN[C@@H](C)CN1 CS-0183106 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.3 C[C@H]1CN[C@@H](C)CN1 CS-0834300 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.3 C[C@H]1CO[C@@H](C)CN1 CS-0183109 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.3 OC1CCC(Br)CC1 CS-0493476 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.3 OC1CCC(F)CC1 CS-0056702 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.38 CC(CN)N1CCC1 CS-0245110 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.38 CC(CO)N1CCC1 CS-0172789 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.38 C[C@@H](CO)N1CCC1 CS-0478671 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.38 C[C@H](CO)N1CCC1 CS-1056717 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.38 O=C(CO)N1CCC1 CS-0236344 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.40 N[C@H](CO)CC1CC1 CS-0091361 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.47 NCC1CC(CO)C1 CS-0504538 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.47 NC[C@H]1C[C@@H](CO)C1 CS-0475824 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.47 NC[C@H]1C[C@H](CO)C1 CS-0434054 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.47 OC[C@@H]1C[C@H](CO)N1 CS-0309968 [0,1,0,1,0,0|0,0,0]=2 506 B8R1.50 OC1OC[C@H](O)[C@H]1O CS-0875940 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.52 CC1(CO)CCCO1 CS-0343241 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.52 CCC1(C)CCCN1 CS-0244950 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.52 C[C@]1(CO)CCCN1 CS-0053068 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.52 NC1(CO)CCCC1 CS-0146521 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.52 OCC1(F)CCCC1 CS-0057987 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.52 OCC1(O)CCCC1 CS-0222732 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.4 CC1CC(N)CCO1 CS-0051836 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.4 CC1CC(N)CCO1 CS-0069599 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.4 CC1CNCC(C)S1 CS-0216734 [0,1,0,1,0,0|1,1,0]=4 516 B8R1.4 CC1CNCC(C)S1 CS-0482170 [0,1,0,1,0,0|1,1,0]=4 517 B8R1.4 CC1CNCC(O)C1 CS-0503711 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.4 CN1CCC[C@@H](O)C1 CS-0053340 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 CS-0879625 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.4 C[C@H]1CNC[C@H](C)N1 CS-0053399 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.4 C[C@H]1CNC[C@H](C)N1 CS-0099931 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.4 F[C@@H]1CNC[C@@H](F)C1 CS-0622918 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.4 F[C@@H]1CNC[C@H](F)C1 CS-0372329 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.4 F[C@H]1CNC[C@H](F)C1 CS-0187950 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.4 NC1CCCC(O)C1 CS-0155421 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.4 NC1COCC(O)C1 CS-0050678 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0058728 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.4 N[C@H]1CCC[C@H](O)C1 CS-0112699 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.4 OC1CCCC(O)C1 CS-0135350 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.4 O[C@@H]1CCC[C@@H](O)C1 CS-0135349 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 CS-0782069 [0,1,0,1,0,0|0,0,0]=2 532 B8R1.4 O[C@@H]1CNC[C@H](F)C1 CS-0491292 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.4 O[C@H]1CNC[C@H](O)C1 CS-0750051 [0,1,0,1,0,0|0,0,0]=2 534 B8R1.6 NC1CN(CCO)C1 CS-0056387 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.6 NCCN1CC(F)C1 CS-0504493 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.6 NCCN1CC(O)C1 CS-0309419 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.6 OCCN1CC(F)C1 CS-0504730 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.7 CC(C)[C@H]1CCCN1 CS-0053500 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.7 CC(O)C1CCCN1 CS-0258928 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.7 C[C@@H](O)C1CCCC1 CS-0144925 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.7 FC(F)[C@@H]1CCCN1 CS-0053451 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.19 CC1(C)CCC[C@@H]1O CS-0623533 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.19 CC1(C)CNC[C@H]1O CS-0058368 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.19 C[C@H]1COC[C@@]1(C)O CS-0047333 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.19 C[C@]1(O)CCC[C@@H]1N CS-0623151 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.19 OC1CCCC1(F)F CS-0530169 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.19 O[C@@H]1CNCC1(F)F CS-0255967 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.19 O[C@H]1CNCC1(F)F CS-0310174 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.34 CC(O)CN1CCC1 CS-0504720 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.34 O=C(O)CC1CCO1 CS-0057150 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.35 FC(F)CNC1CC1 CS-0258794 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.35 O=C(O)CNC1CC1 CS-0440195 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.43 O=C(O)C1CC1CO CS-0098963 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO CS-0056044 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.48 OCC1CCC1(F)F CS-0045491 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.72 CC1(C)CCCNC1 CS-0054414 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.72 CC1(C)CNCCS1 CS-0230076 [0,1,0,1,0,0|1,1,0]=4 558 B8R1.72 CC1(O)CCCOC1 CS-0231015 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.72 C[C@]1(O)CCCNC1 CS-0053261 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.72 FC1(F)CCCNC1 CS-0060769 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.72 FC1(F)CNCCO1 CS-0133641 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 CS-0745282 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.18 CN1C[C@H](F)[C@H](O)C1 CS-0623223 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.18 CN1C[C@H](N)[C@H](O)C1 CS-0053297 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.37 CN(CCN)C1CC1 CS-0251428 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.66 NC1(CCO)CCC1 CS-0185413 [0,1,0,1,0,0|2,0,0]=4 567 B8R2.22 C1CC2CNC2C1 CS-0183903 [0,0,0,2,0,0|2,0,0]=4 568 B8R2.22 C1CC2CNCC12 CS-0046699 [0,0,0,2,0,0|2,0,0]=4 569 B8R2.34 C1CC2CCC1N2 CS-0050113 [0,0,0,2,0,0|2,0,0]=4 570 B8R2.34 C1C[C@@H]2C[C@H]1CN2 CS-0131297 [0,0,0,2,0,0|2,0,0]=4 571 B8R2.34 C1OC2CNC1C2 CS-0006563 [0,0,0,2,0,0|1,0,0]=3 572 B8R2.34 C1SC2CNC1C2 CS-0075529 [0,0,0,2,0,0|1,1,0]=4 573 B8R2.34 [C@@H]12CS[C@@H](CN1)C2 CS-1055307 [0,0,0,2,0,0|1,1,0]=4 574 B8R2.34 [C@H]12CS[C@H](CN1)C2 CS-0114426 [0,0,0,2,0,0|1,1,0]=4 575 B8R2.55 C1CNC2(C1)CC2 CS-0103023 [0,0,0,2,0,0|2,0,0]=4 576 B8R2.2 CC12CNCC1C2 CS-0492423 [0,0,0,2,0,0|2,0,0]=4 577 B8R2.18 [C@H]12C[C@H](O)C[C@H]1C2 CS-0058774 [0,0,0,2,0,0|2,0,0]=4 578 B8R2.23 C1NCC2CC1C2 CS-0058463 [0,0,0,2,0,0|2,0,0]=4 579 B8R2.23 C1NCC2CC1N2 CS-0483833 [0,0,0,2,0,0|2,0,0]=4 580 B8R2.25 C1CNC2CC2C1 CS-0131299 [0,0,0,2,0,0|2,0,0]=4 581 B8R2.25 C1CNC2CC2N1 CS-0310407 [0,0,0,2,0,0|2,0,0]=4 582 B8R2.38 OC1CCC2CC12 CS-0309860 [0,0,0,2,0,0|2,0,0]=4 583 B8R2.19 OC1CCC12CC2 CS-0697068 [0,0,0,2,0,0|2,0,0]=4 584 B8R2.20 OCC1CC12CC2 CS-0067352 [0,0,0,2,0,0|2,0,0]=4