0 B7R0.1 C#CCCCCCN CS-0104826 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C#CCOCCOC CS-0038923 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCCI CS-0088557 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.6 C#CCCCCN CS-0059697 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.6 C#CCCCCN CS-0106594 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.4 C#CCCCCCCN CS-0110134 [0,1,0,0,0,0|1,0,1]=3 6 B8R0.4 COCCOCCOC CS-0017205 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.4 NCCCCCCCO CS-0088962 [0,1,0,0,0,0|0,0,2]=3 8 B8R0.6 C=CCCCC(=O)OC CS-0015919 [0,1,0,0,0,0|2,0,1]=4 9 B8R1.2 BrCC1CCCNC1 CS-0112575 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.2 BrCC1CCCOC1 CS-D0475 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.2 C#CC1CCNCC1 CS-0050866 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.2 C#CC1CCNCC1 CS-0081005 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.2 C#CC1CCOCC1 CS-0050867 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.2 C#CC1CCSCC1 CS-0050864 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.2 CC[C@@H]1CNCCO1 CS-0096526 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.2 CC[C@@H]1CNCCO1 CS-0100798 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.2 CC[C@H]1CNCCO1 CS-0094360 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.2 CC[C@H]1CNCCO1 CS-0100795 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.2 CNC1CCNCC1 CS-0048783 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.2 CNC1CCOCC1 CS-D1570 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.2 COC1CCCNC1 CS-0051284 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.2 ClCC1CCNCC1 CS-0051167 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.2 FCC1CCCNC1 CS-0105992 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 FCC1CCNCC1 CS-0051153 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.2 N#CC1CCCCN1 CS-0048755 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.2 N#CC1CCCNC1 CS-0048754 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.2 N#CC1CCSCC1 CS-0045921 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 N#C[C@@H]1CCCCN1 CS-0049775 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.2 N#C[C@@H]1CCCNC1 CS-0060758 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.2 N#C[C@H]1CCCNC1 CS-0053248 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.2 NCC1CCCOC1 CS-0048770 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.2 NCC1CCCOC1 CS-D0477 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.2 NCC1CCOCC1 CS-0036420 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.2 NCC1CCSCC1 CS-0045666 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.2 NCC1CCSCC1 CS-0047857 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.2 NNC1CCNCC1 CS-0109590 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.2 O=CC1CCCOC1 CS-W008553 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.2 O=CC1CCCSC1 CS-0100800 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.2 O=NN1CCNCC1 CS-0106309 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.2 OCC1CCCCO1 CS-0034490 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.2 OCC1CCCOC1 CS-D0478 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.5 CC1CCNCC1O CS-0050805 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.5 CC1CNCCC1=O CS-D0300 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.5 CC1CNCCC1O CS-0051241 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.5 CC1COCCC1N CS-D0213 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.5 CN1CCNCC1=O CS-0052424 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.5 C[C@@H]1CCNC[C@@H]1O CS-0038217 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.5 C[C@@H]1CNCCN1C CS-0006864 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.5 C[C@@H]1CNCCN1C CS-0053508 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.5 C[C@@H]1CNCC[C@@H]1O CS-0100460 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.5 C[C@@H]1CNCC[C@H]1O CS-0051211 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.5 C[C@@H]1COCC[C@@H]1N CS-0098981 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.5 C[C@@H]1COCC[C@H]1N CS-0053239 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.5 C[C@H]1CCNC[C@@H]1O CS-0036436 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.5 C[C@H]1CNCCN1C CS-0006863 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.5 C[C@H]1CNCCN1C CS-0053455 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.5 C[C@H]1COCC[C@@H]1N CS-0047776 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.5 C[C@H]1COCC[C@@H]1N CS-0058689 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.5 N[C@@H]1CCCC[C@H]1F CS-0038959 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.5 N[C@@H]1CCCC[C@H]1F CS-0058722 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0062471 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0096323 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.5 N[C@H]1CCCC[C@H]1O CS-W008152 [0,0,0,1,0,0|1,0,2]=4 66 B8R1.5 O=C1CCCCC1F CS-0040502 [0,0,0,1,0,0|1,0,0]=2 67 B8R1.5 O=C1CCOCC1Br CS-0039271 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.5 O=C1CCOCC1F CS-0051355 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.5 O=C1NCCC[C@H]1O CS-0112089 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.5 O[C@@H]1CCCC[C@H]1F CS-0101188 [0,0,0,1,0,0|1,0,2]=4 71 B8R1.5 O[C@@H]1CCCC[C@H]1F CS-0101192 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.5 O[C@H]1CCCC[C@@H]1F CS-0101186 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.8 CCNC1CCOC1 CS-0048813 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.8 CCO[C@H]1CCNC1 CS-0053269 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.8 CNCC1CCOC1 CS-0048865 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.8 COCC1CCNC1 CS-0038166 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.8 COCC1CCNC1 CS-0058668 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.8 COC[C@@H]1CCNC1 CS-0053335 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.8 COC[C@H]1CCNC1 CS-0053272 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.8 N#CCC1CCCC1 CS-0060786 [0,0,0,1,0,0|1,0,1]=3 81 B8R1.8 NCCC1CCCC1 CS-W006125 [0,0,0,1,0,0|1,0,1]=3 82 B8R1.8 OCCC1CCNC1 CS-0052204 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.10 C=CCOC1COC1 CS-0098953 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.11 CN1CCC[C@@H]1CN CS-0053069 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.11 CN1CCC[C@H]1CBr CS-0112933 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.11 N#CC1COCC1=O CS-0050786 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.11 O=C1NCCC1CO CS-0051681 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.22 CC1CCCCNC1 CS-0038439 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.22 CC1CNCCCN1 CS-0100317 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.22 C[C@@H]1CNCCCN1 CS-0100401 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.22 C[C@H]1CNCCCN1 CS-0100318 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.22 NC1CCCCCC1 CS-0071927 [0,0,0,1,0,0|1,0,1]=3 93 B8R1.22 O=C1COCCCN1 CS-0037454 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.22 OC1CCCNCC1 CS-0038201 [0,0,0,1,0,0|1,0,2]=4 95 B8R1.22 SC1CCCCCC1 CS-0106062 [0,0,0,1,0,0|0,1,1]=3 96 B8R1.36 NCCNCC1CC1 CS-0053535 [0,0,0,1,0,0|2,0,1]=4 97 B5R0.2 CCCCON CS-0106180 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.3 C=CCCC(N)CO CS-0091350 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.3 CCCCC(N)CO CS-0091368 [1,1,0,0,0,0|0,0,1]=3 100 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [1,1,0,0,0,0|0,0,1]=3 101 B7R0.3 CCCC[C@H](N)CO CS-0089877 [1,1,0,0,0,0|0,0,1]=3 102 B7R0.3 COCCC(N)CO CS-0106481 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.3 CSCCC(N)CO CS-0091223 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.3 CSCC[C@@H](N)CO CS-0088128 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.4 CC(=O)NCCCO CS-0037159 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.4 CN(C)CCCCCl CS-0059660 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.4 NCCCCC(N)=O CS-0112084 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.7 CCCC(Br)CCC CS-0106173 [1,1,0,0,0,0|0,0,1]=3 109 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0062044 [0,2,0,0,0,0|1,0,0]=3 110 B9R0.5 C#CCC(=C)CCCCC CS-0108857 [0,2,0,0,0,0|1,0,1]=4 111 B9R0.48 CCOC(=O)CCC(C)=O CS-W011009 [0,2,0,0,0,0|1,0,1]=4 112 B9R0.2 CCCCOCCC(=O)O CS-0098419 [0,2,0,0,0,0|0,0,0]=2 113 B9R0.2 O=C(O)CCCCCCBr CS-W007714 [0,2,0,0,0,0|0,0,0]=2 114 B9R0.45 C=CCOCCOCCO CS-0099993 [0,2,0,0,0,0|2,0,0]=4 115 B9R0.45 CCCCC#CCCCC CS-0066208 [0,2,0,0,0,0|1,0,1]=4 116 B7R1.1 BrCC1=CCCC1 CS-0052832 [1,0,0,1,0,0|1,0,1]=4 117 B7R1.1 BrCC1CCCO1 CS-0052243 [1,0,0,1,0,0|1,0,1]=4 118 B7R1.1 CC[C@@H]1CCNC1 CS-0053328 [1,0,0,1,0,0|1,0,1]=4 119 B7R1.1 CC[C@H]1CCNC1 CS-0053268 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.1 ClCC1CCCN1 CS-0106573 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.1 ClC[C@@H]1CCCN1 CS-0106569 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.1 ClC[C@H]1CCCN1 CS-0104825 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.1 FC[C@@H]1CCCN1 CS-0053450 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.1 FC[C@@H]1CCNC1 CS-0085105 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.1 FC[C@H]1CCCN1 CS-0053502 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.1 NCC1CCOC1 CS-0048762 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.1 NNC1CCCC1 CS-D0525 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.1 OCC1CCNC1 CS-0048724 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.1 OC[C@@H]1CCOC1 CS-0053251 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.1 OC[C@H]1CCOC1 CS-0053313 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.3 CC1COCCN1 CS-0038078 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.3 FC1CCNCC1 CS-0101735 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.3 NC1CCCNC1 CS-W005316 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.3 O=C1NCCCO1 CS-0088044 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.3 OC1CCCCN1 CS-0112594 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.3 O[C@@H]1CCCOC1 CS-0053086 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.3 SC1CCCNC1 CS-0048753 [1,0,0,1,0,0|1,1,0]=4 141 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.4 CC1CONC1=O CS-0068235 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.4 C[C@@H]1CCNC1=O CS-0046449 [1,0,0,1,0,0|1,0,0]=3 144 B7R1.4 C[C@@H]1COC[C@H]1N CS-0047781 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.4 C[C@H]1CCC[C@@H]1O CS-0036071 [1,0,0,1,0,0|0,0,1]=3 146 B7R1.4 C[C@H]1CCNC1=O CS-0046446 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.4 C[C@H]1CNC[C@H]1O CS-0036375 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.4 NC1CCCC1F CS-0101183 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.4 NC1CCOC1=O CS-0051531 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-0096405 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.4 N[C@@H]1CCC[C@H]1F CS-0047825 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.4 N[C@@H]1CCC[C@H]1N CS-0047743 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.4 N[C@@H]1CCC[C@H]1O CS-0096407 [1,0,0,1,0,0|1,0,1]=4 155 B7R1.4 N[C@@H]1CCNC1=O CS-0109572 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.4 N[C@H]1CCC[C@H]1N CS-0049664 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.4 O[C@@H]1CCC[C@H]1F CS-0101190 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.4 [C@@H]1(N)CCC[C@H]1O CS-0031413 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.6 C=CCC1CNC1 CS-0051668 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.6 COCC1CCN1 CS-0052226 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.6 COC[C@@H]1CCN1 CS-0052225 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.6 COC[C@@H]1CCN1 CS-0053449 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.6 COC[C@H]1CCN1 CS-0053501 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.6 NCCC1CCO1 CS-0052220 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.6 NNCC1CCC1 CS-0049633 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.6 OCCC1CCN1 CS-0104824 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.6 OCCC1CCO1 CS-0052219 [1,0,0,1,0,0|1,0,1]=4 169 B7R1.6 OCCC1CNC1 CS-0052250 [1,0,0,1,0,0|1,0,1]=4 170 B7R1.6 OCCC1COC1 CS-0052216 [1,0,0,1,0,0|1,0,1]=4 171 B7R1.6 OCC[C@H]1CCO1 CS-0057152 [1,0,0,1,0,0|1,0,1]=4 172 B7R1.8 CN1CC[C@H]1CN CS-0053064 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.8 O=C1CCC1CO CS-0045469 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.8 O=C1NCC1CO CS-0046606 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.8 OCC1CCC1F CS-0045492 [1,0,0,1,0,0|1,0,1]=4 176 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [1,0,0,1,0,0|1,0,1]=4 177 B7R1.24 C1CNCCOC1 CS-B1101 [1,0,0,1,0,0|1,0,1]=4 178 B9R1.2 CCC1CC(=O)CCO1 CS-0061467 [0,1,0,1,0,0|1,0,0]=3 179 B9R1.2 CCN1CCNC(=O)C1 CS-0050872 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.2 COC1=CC(=O)CCC1 CS-0100011 [0,1,0,1,0,0|1,0,1]=4 181 B9R1.2 COC1CCCC(O)C1 CS-0051287 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 CS-0058288 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.2 NCC1CCNC(=O)C1 CS-0036410 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.2 O=C1CC(CO)CCN1 CS-0051145 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.2 O=C1CCCC(CO)N1 CS-0099968 [0,1,0,1,0,0|1,0,0]=3 186 B9R1.7 CCCC1CNC(=O)C1 CS-0061478 [0,1,0,1,0,0|1,0,0]=3 187 B9R1.7 CCC[C@@H]1CNC(=O)C1 CS-0094316 [0,1,0,1,0,0|1,0,0]=3 188 B9R1.7 CCC[C@H]1CNC(=O)C1 CS-0096517 [0,1,0,1,0,0|1,0,0]=3 189 B9R1.7 OCCC1CCC(O)C1 CS-0101935 [0,1,0,1,0,0|0,0,2]=4 190 B9R1.8 BrCCC1CCNCC1 CS-0105360 [0,1,0,1,0,0|1,0,1]=4 191 B9R1.8 C=CCC1CCOCC1 CS-0093979 [0,1,0,1,0,0|1,0,0]=3 192 B9R1.8 CNCC1CCCOC1 CS-0048866 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.8 CNCC1CCOCC1 CS-0048872 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.8 COCC1CCNCC1 CS-0051142 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.8 N#CCC1CCCNC1 CS-W001594 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.8 NCCC1CCCCN1 CS-0106209 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.8 NCCC1CCCCO1 CS-0085206 [0,1,0,1,0,0|0,0,2]=4 198 B9R1.8 NCCC1CCCNC1 CS-0106330 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.8 NCCC1CCNCC1 CS-0105614 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.8 OCCC1CCCNC1 CS-D1062 [0,1,0,1,0,0|0,0,2]=4 201 B9R1.8 OCCC1CCNCC1 CS-0112429 [0,1,0,1,0,0|0,0,2]=4 202 B9R1.8 OCCC1CCOCC1 CS-0017747 [0,1,0,1,0,0|0,0,2]=4 203 B9R1.8 OCC[C@@H]1CCCCN1 CS-0060809 [0,1,0,1,0,0|0,0,2]=4 204 B9R1.12 ClCCCN1CCCC1 CS-0052890 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.12 NCCCC1CCCC1 CS-0051389 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.15 C#CC1CCCCC1O CS-0104672 [0,1,0,1,0,0|1,0,1]=4 207 B9R1.15 CN1CCCC[C@@H]1CO CS-0099990 [0,1,0,1,0,0|0,0,2]=4 208 B9R1.15 CN1CCCC[C@H]1CO CS-0099987 [0,1,0,1,0,0|0,0,2]=4 209 B9R1.15 COC1COCCC1=O CS-0051285 [0,1,0,1,0,0|1,0,0]=3 210 B9R1.15 CO[C@H]1COCCC1=O CS-0091727 [0,1,0,1,0,0|1,0,0]=3 211 B9R1.15 N#CC1CCCCC1=O CS-0054141 [0,1,0,1,0,0|0,0,1]=3 212 B9R1.15 O=CC1=C(Br)CCCC1 CS-0098956 [0,1,0,1,0,0|0,0,2]=4 213 B9R1.22 CCC1NC(=O)CC1=O CS-0046589 [0,1,0,1,0,0|1,0,1]=4 214 B9R1.33 CN1CCCC1CCO CS-W013446 [0,1,0,1,0,0|0,0,2]=4 215 B9R1.33 CN1CCC[C@@H]1CCN CS-0054116 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.33 CN1CCC[C@H]1CCN CS-0054115 [0,1,0,1,0,0|1,0,1]=4 217 B9R1.33 CNCC1CCCN1C CS-0048868 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.33 CNC[C@H]1CCCN1C CS-0101702 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.33 O=C1NCCN1CCCl CS-0062222 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.48 CC1CCCCC(=O)N1 CS-0061421 [0,1,0,1,0,0|0,0,0]=2 221 B9R1.48 O=C1CCCCC(=O)N1 CS-0078657 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.49 CN1CCCC(N)CC1 CS-0052429 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.50 O=C1NCCCCCN1 CS-0060084 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.69 CC1CCC(=O)NC1=O CS-0061420 [0,1,0,1,0,0|1,0,1]=4 225 B9R1.69 CN1CC(N)CCC1=O CS-0050692 [0,1,0,1,0,0|1,0,0]=3 226 B9R1.69 CN1CCC(N)CC1=O CS-0051055 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.69 C[C@H]1CN(C)C(=O)CN1 CS-0053137 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 CS-0053221 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.117 OCCCC1(O)CCC1 CS-0052884 [0,1,0,1,0,0|0,0,2]=4 230 B9R1.134 N#CCC1(N)CCCC1 CS-0060785 [0,1,0,1,0,0|1,0,1]=4 231 B9R1.5 CC1CCNCCC1=O CS-0038168 [0,1,0,1,0,0|0,0,0]=2 232 B9R1.5 N[C@@H]1CCCCNC1=O CS-0112895 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.89 COC1CCCNCC1 CS-0050816 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.89 COC1CCCNCC1 CS-0050817 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.89 N#CC1CCCNCC1 CS-0049916 [0,1,0,1,0,0|1,0,1]=4 236 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 CS-0047757 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.1 CN1CCC(C=O)CC1 CS-0099980 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 CS-0049672 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 CS-0096141 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 CS-0106652 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 CS-0049694 [0,1,0,1,0,0|1,0,1]=4 242 B9R1.1 NC[C@H]1CC[C@H](O)CC1 CS-0047769 [0,1,0,1,0,0|1,0,1]=4 243 B9R1.1 N[C@H]1CC[C@H](CO)CC1 CS-0047758 [0,1,0,1,0,0|0,0,2]=4 244 B9R1.3 CN1CCCC(N)C1=O CS-0051551 [0,1,0,1,0,0|1,0,0]=3 245 B9R1.118 CC1(C=O)CCCCC1 CS-B1796 [0,1,0,1,0,0|0,0,0]=2 246 B9R1.118 CC1(C=O)CCOCC1 CS-0047859 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.118 NC1(CO)CCCCC1 CS-0090679 [0,1,0,1,0,0|0,0,2]=4 248 B9R1.118 NCC1(F)CCCCC1 CS-0038542 [0,1,0,1,0,0|1,0,1]=4 249 B9R1.118 NCC1(O)CCCCC1 CS-0094543 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.6 CC(=O)N1CCCNC1 CS-0105445 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.6 CC(=O)N1CCNCC1 CS-M1071 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.6 CC(O)C1CCCCC1 CS-0109616 [0,1,0,1,0,0|0,0,2]=4 253 B9R1.6 C[C@H](O)C1CCCCC1 CS-0113154 [0,1,0,1,0,0|0,0,2]=4 254 B9R1.6 N=C(N)C1CCOCC1 CS-0048768 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.6 N=C(N)C1CCOCC1 CS-0060825 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.6 NC(=O)N1CCNCC1 CS-0106301 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.6 NC(=O)[C@@H]1CCCNC1 CS-0053311 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.6 NC(=O)[C@H]1CCCNC1 CS-0053247 [0,1,0,1,0,0|1,0,0]=3 259 B9R1.6 O=C(O)C1CCCCN1 CS-0043825 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.6 O=C(O)C1CCCSC1 CS-0047855 [0,1,0,1,0,0|1,0,0]=3 261 B9R1.6 O=C(O)C1CNCCN1 CS-W015473 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.6 O=C(O)C1CNCCO1 CS-0103628 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.6 O=C(O)[C@@H]1CCCCO1 CS-0053085 [0,1,0,1,0,0|1,0,0]=3 264 B9R1.6 O=C(O)[C@@H]1CNCCO1 CS-0103633 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.6 O=C(O)[C@H]1CC=CCC1 CS-0021761 [0,1,0,1,0,0|0,0,2]=4 266 B9R1.6 O=C(O)[C@H]1CCCCO1 CS-0053479 [0,1,0,1,0,0|1,0,0]=3 267 B9R1.6 [C@H]1(C(=O)O)CNCCO1 CS-W006279 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.13 CC(=O)N[C@@H]1CCNC1 CS-0048830 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.13 CC(=O)N[C@H]1CCNC1 CS-0048829 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.13 NC(=O)NC1CCCC1 CS-0062148 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.13 O=C(O)CC1CCNC1 CS-0052205 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.13 O=C(O)C[C@@H]1CCCN1 CS-0035426 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0035825 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.13 O=C(O)C[C@H]1CCOC1 CS-0054371 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.13 [C@@H]1(CC(=O)O)CCCN1 CS-W010817 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.40 CC1(C)COCCC1=O CS-0051615 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.40 CC1CNCCS1(=O)=O CS-0091767 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.40 CC1CNCCS1(=O)=O CS-0091769 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.40 C[C@@H]1CNCCS1(=O)=O CS-0089464 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.40 C[C@H]1CNCCS1(=O)=O CS-0089452 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.40 O=C1CCNCC1(F)F CS-0058731 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.41 CC(C)C1CCNC1=O CS-0046445 [0,1,0,1,0,0|1,0,0]=3 283 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-0053503 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O CS-0035981 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O CS-0089000 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-WAA0104 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CS-0053472 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CS-0053473 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CS-0058698 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F CS-0102919 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-0049702 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-M2136 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.84 O=C(O)CCC1CCC1 CS-0060765 [0,1,0,1,0,0|0,0,0]=2 294 B9R1.96 CCN1CC[C@H]1C(=O)O CS-0052348 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.96 O=C(O)C1CCC1CO CS-0098964 [0,1,0,1,0,0|1,0,0]=3 296 B9R2.24 BrC1C2CCC1CC2 CS-0107785 [0,0,0,2,0,0|1,0,1]=4 297 B9R2.49 C1CC2CCC1CN2 CS-0052039 [0,0,0,2,0,0|1,0,1]=4 298 B9R2.50 C1CCC2NCC2C1 CS-0046718 [0,0,0,2,0,0|1,0,1]=4 299 B9R2.50 C1CNC2CCC2C1 CS-0046719 [0,0,0,2,0,0|1,0,1]=4 300 B9R2.53 O=C1C2CNCC1C2 CS-0051523 [0,0,0,2,0,0|1,0,0]=3 301 B9R2.68 C1CC2CCC(C1)N2 CS-0049977 [0,0,0,2,0,0|1,0,1]=4 302 B9R2.174 C1CCC2(CC2)NC1 CS-0090845 [0,0,0,2,0,0|1,0,1]=4 303 B9R2.6 NC12CCCCC1C2 CS-0049778 [0,0,0,2,0,0|1,0,1]=4 304 B9R2.39 O=C1CN2CCC1C2 CS-0106908 [0,0,0,2,0,0|1,0,0]=3 305 B9R2.39 O=C1CN2CCC1C2 CS-0106909 [0,0,0,2,0,0|1,0,0]=3 306 B9R2.39 [C@H]12CC[C@H](C1)[C@H](Br)C2 CS-0094482 [0,0,0,2,0,0|1,0,1]=4 307 B9R2.3 [C@@H]12CCC[C@H]1CNC2 CS-0099906 [0,0,0,2,0,0|1,0,1]=4 308 B9R2.3 [C@H]12CCC[C@H]1CNC2 CS-0047006 [0,0,0,2,0,0|1,0,1]=4 309 B9R2.3 [C@H]12CCC[C@H]1CNC2 CS-0054955 [0,0,0,2,0,0|1,0,1]=4 310 B9R2.7 O=C1CC2CNCC12 CS-0046611 [0,0,0,2,0,0|1,0,0]=3 311 B9R2.173 C1CC2(C1)CCNC2 CS-0050333 [0,0,0,2,0,0|2,0,0]=4 312 B9R2.173 C1CC2(C1)CCNC2 CS-0050334 [0,0,0,2,0,0|2,0,0]=4 313 B9R2.173 C1CCC2(C1)CCN2 CS-0052637 [0,0,0,2,0,0|1,0,1]=4 314 B9R2.173 C1CCC2(C1)CNC2 CS-0052030 [0,0,0,2,0,0|2,0,0]=4 315 B9R2.21 O=C1CC2CC2CN1 CS-0058971 [0,0,0,2,0,0|1,0,0]=3 316 B9R2.140 NC1CCC12CCC2 CS-0048692 [0,0,0,2,0,0|1,0,1]=4 317 B9R2.14 CC12CCC1CNC2 CS-0059108 [0,0,0,2,0,0|2,0,0]=4