0 B10R1.15 C#C[C@@H](O)C1CCCCC1 79797 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 CCC(=O)C1CCCCC1 F53827 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 CNC(=O)[C@H]1CCCNC1 D75606 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12591 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12592 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 CN[C@@H](C)C1CCCCC1 78566 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 COC(=O)C1=CCCNC1 AC6481 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.15 COC(=O)C1=CCNCC1 31667 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.15 COC(=O)C1=CNCCC1 P15502 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.15 COC(=O)C1CCSCC1 74108 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.15 COC(=O)N1CCOCC1 AC6632 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 COC(=O)[C@@H]1COCCN1 25784 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 COC(=O)[C@@H]1COCCN1 31155 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 COC(=O)[C@@H]1COCCN1 P10713 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 COC(=O)[C@H]1CCCNC1 P10578 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.15 NCC(=O)N1CCCCC1 F21140 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.15 NNC(=O)[C@H]1CCCOC1 P12180 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.15 O=C(CBr)C1CCOCC1 P11188 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.15 O=C(CBr)N1CCCCC1 S12026 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.15 O=C(CO)C1CCCCC1 D93099 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 O=C(CO)N1CCOCC1 W10210 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 CC(C)C1CCNCC1 T72018 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.6 CN(C)[C@H]1CCCNC1 P19624 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 CN(C)[C@H]1CCCNC1 S11097 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.6 C[C@H](N)C1CCOCC1 52485 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 C[C@H](N)C1CCOCC1 52508 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 C[C@H](N)C1CCOCC1 53162 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 C[C@H](O)C1CCNCC1 50851 [1,0,0,0,0,0|1,0,2]=4 32 B9R1.6 C[C@H](O)C1CCOCC1 72533 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.6 N=C(N)C1CCOCC1 38314 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.6 N=C(N)C1CCOCC1 P11933 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 N=C(N)N1CCCCC1 W16161 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 NC(=O)C1CCNCC1 C75011 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 O=C(O)C1=CCNCC1 30668 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.6 O=C(O)C1CCSCC1 24425 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.6 O=C(O)C1SCCCS1 W18220 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.6 O=[N+]([O-])C1CCNCC1 P21112 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 CNCC1CCCCC1 F20557 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.8 CNCC1CCNCC1 28113 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 CNC[C@H]1CCCOC1 P11000 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 CNC[C@H]1CCCOC1 P16260 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 COC[C@H]1CCCCN1 39467 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.8 COC[C@H]1CCCCN1 71896 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.8 COC[C@H]1CCCNC1 F11112 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 COC[C@H]1CNCCO1 77670 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 COC[C@H]1CNCCO1 77672 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 COC[C@H]1COCCN1 77667 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.8 COC[C@H]1COCCN1 77668 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.8 COC[C@H]1COCCN1 77669 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 NCCC1CCCCC1 24486 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.8 NCCC1CCCCC1 55664 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.8 O=CCC1CCCCC1 11388 [1,0,0,0,0,0|2,0,1]=4 76 B11R1.7 CO[Si](C)(C)C1CCCCC1 A11396 [0,1,0,0,0,0|1,1,0]=3 77 B11R1.7 O=S(=O)(CCl)C1CCCCC1 71882 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.16 CCCC(=O)N1CCNCC1 D76298 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.16 CCOC(=O)C1=CCNCC1 W10892 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 S11652 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 31686 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.16 CCOC(=O)[C@@H]1CNCCS1 32555 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.16 CCOC(=O)[C@@H]1CSCCN1 66701 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.16 N#CCC(=O)C1CCOCC1 P12066 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.16 O=C(OCCl)N1CCOCC1 F52722 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.16 [C-]#[N+]CC(=O)N1CCCCC1 P20789 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.22 COC(=O)C1CCC(C)NC1 81271 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.22 COC(=O)C1CCC(N)CC1 AB9595 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 C71631 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 A50883 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P17412 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 SC5021 [0,1,0,0,0,0|0,0,0]=1 93 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 73036 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P18942 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.22 O=C(CCl)N1CCC(O)CC1 W15997 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.23 COC(=O)C1CC(O)CCN1 C15611 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.23 COC(=O)C1CCCC(O)C1 A10766 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.23 COC(=O)C1CNCC(C)C1 CS2727 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.23 COC(=O)C1CNCC(F)C1 92538 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 72112 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 P15151 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 P17744 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 P18936 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 74958 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 74999 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 76678 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 W15863 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 W15785 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.23 COC(=O)[C@H]1CCCN(C)C1 AB1526 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 P19685 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 P20495 [0,1,0,0,0,0|0,0,0]=1 112 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 D79008 [0,1,0,0,0,0|0,0,0]=1 113 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 D79009 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 38747 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 P20451 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.36 CN(C)C(=O)N1CCOCC1 O12005 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.36 CN(C)C(=O)[C@H]1CCCNC1 AC2502 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.36 C[C@H](O)C(=O)N1CCNCC1 F50789 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.222 COC(=O)C1=C(N)CCOC1 82684 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.222 COC(=O)C1CCNCC1C P18679 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.222 COC(=O)C1CNCCC1C 85191 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.222 COC(=O)[C@@H]1CCCNC1=O A11870 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.222 COC(=O)[C@@H]1CNCCN1C C15749 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P18320 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N AB11610 [0,1,0,0,0,0|0,0,0]=1 126 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N P16222 [0,1,0,0,0,0|0,0,0]=1 127 B11R1.222 COC(=O)[C@H]1CCNC[C@H]1C 60938 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C P16722 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.878 CNC(=O)C1(N)CCOCC1 F53162 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.878 COC(=O)C1(C)CCNCC1 39162 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.878 COC(=O)C1(F)CCOCC1 38721 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.878 COC(=O)C1(O)CCNCC1 F30327 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.878 COC(=O)C1(O)CCNCC1 P17749 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.878 COC(=O)[C@]1(C)CCCCN1 P16726 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.878 COC(=O)[C@]1(C)COCCN1 84768 [0,1,0,0,0,0|2,0,0]=3 136 B9R0.8 CNC(=O)[C@@H](Br)CCCBr AC6474 [0,0,1,0,0,0|3,0,0]=4 137 B9R0.46 CCNCCCC(=O)OC 72977 [0,0,1,0,0,0|1,0,0]=2 138 B9R0.46 COC(=O)CSCCCCl W12305 [0,0,1,0,0,0|2,0,0]=3 139 B11R2.1 O=C1CC[C@H]2CNCCN12 37767 [0,0,0,1,0,0|3,0,0]=4 140 B11R2.1 O=C1CC[C@H]2CNCCN12 P15533 [0,0,0,1,0,0|3,0,0]=4 141 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 P15471 [0,0,0,1,0,0|2,0,0]=3 142 B11R2.1 O=C1OCC2CCCCC12 D93790 [0,0,0,1,0,0|0,0,0]=1 143 B11R2.1 O=C1OC[C@H]2CNCCN12 62156 [0,0,0,1,0,0|2,0,0]=3 144 B11R2.12 O=C1CCC12CCCCC2 84858 [0,0,0,1,0,0|1,0,0]=2 145 B11R2.12 O=C1NCC12CCNCC2 P11601 [0,0,0,1,0,0|2,0,0]=3 146 B11R2.12 O=C1NCC12CCNCC2 P15327 [0,0,0,1,0,0|2,0,0]=3 147 B11R2.12 O[C@H]1CCC12CCCCC2 84857 [0,0,0,1,0,0|1,0,2]=4 148 B11R2.895 COC(=O)C12CNCC1C2 P14871 [0,0,0,1,0,0|1,0,0]=2 149 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 P15759 [0,0,0,1,0,0|1,0,0]=2 150 B9R1.11 CNC(=O)[C@@H]1CCCN1 C13792 [0,0,0,0,1,0|2,0,0]=3 151 B9R1.11 CNC(=O)[C@H]1CCNC1 C77874 [0,0,0,0,1,0|2,0,0]=3 152 B9R1.11 COC(=O)C1=CCSC1 T71209 [0,0,0,0,1,0|1,0,2]=4 153 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [0,0,0,0,1,0|1,0,0]=2 154 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [0,0,0,0,1,0|1,0,0]=2 155 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [0,0,0,0,1,0|1,0,0]=2 156 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [0,0,0,0,1,0|1,0,0]=2 157 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [0,0,0,0,1,0|1,0,0]=2 158 B9R1.11 NCC(=O)N1CCCC1 W18110 [0,0,0,0,1,0|3,0,0]=4 159 B9R1.11 NNC(=O)[C@H]1CCOC1 28802 [0,0,0,0,1,0|3,0,0]=4 160 B9R1.11 O=C(CBr)C1CCCC1 P20314 [0,0,0,0,1,0|2,0,0]=3 161 B9R1.11 O=C(CO)N1CCCC1 W15877 [0,0,0,0,1,0|3,0,0]=4 162 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [0,0,0,0,0,1|1,0,0]=2 163 B11R1.40 COC(=O)CN1CCNCC1 20983 [0,0,0,0,0,1|2,0,0]=3 164 B11R1.40 COC(=O)C[C@H]1CCCNC1 64247 [0,0,0,0,0,1|1,0,0]=2 165 B11R1.40 COC(=O)C[C@H]1CCCNC1 64248 [0,0,0,0,0,1|1,0,0]=2 166 B11R1.40 COC(=O)C[C@H]1COCCN1 67400 [0,0,0,0,0,1|2,0,0]=3 167 B11R1.852 COC(=O)C1CCCCCC1 70466 [0,0,0,0,0,1|0,0,0]=1 168 B11R1.852 COC(=O)N1CCCNCC1 72804 [0,0,0,0,0,1|1,0,0]=2 169 B11R1.852 COC(=O)[C@H]1CCCNCC1 P12663 [0,0,0,0,0,1|0,0,0]=1 170 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,0,1,0,0,0|1,0,1]=4 171 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [1,0,1,0,0,0|2,0,0]=4 172 B8R0.3 COC[C@H](N)C(=O)OC C73433 [1,0,1,0,0,0|2,0,0]=4 173 B8R0.6 CCCCCC(=O)CBr C73149 [1,0,1,0,0,0|2,0,0]=4 174 B8R0.6 COC(=O)COCCO D84694 [1,0,1,0,0,0|2,0,0]=4 175 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [1,0,1,0,0,0|2,0,0]=4 176 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [1,0,1,0,0,0|1,0,0]=3 177 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [1,0,1,0,0,0|2,0,0]=4 178 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [1,0,1,0,0,0|1,0,0]=3 179 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [1,0,1,0,0,0|0,0,0]=2 180 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [1,0,1,0,0,0|1,0,0]=3 181 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [1,0,1,0,0,0|1,0,1]=4 182 B8R0.20 COC(=O)C(CN)CN N13257 [1,0,1,0,0,0|2,0,0]=4 183 B8R0.4 COCCCCCCBr S10679 [1,0,1,0,0,0|1,0,1]=4 184 B8R0.7 COCCNCC(=O)O W16095 [1,0,1,0,0,0|2,0,0]=4 185 B8R0.7 NCCCCCC(=O)O P19609 [1,0,1,0,0,0|1,0,0]=3 186 B8R0.7 NCCCCCC(N)=O AC6029 [1,0,1,0,0,0|2,0,0]=4 187 B8R0.7 O=C([O-])CCCCCO Y14708 [1,0,1,0,0,0|1,0,1]=4 188 B8R1.2 CCC1CCNCC1 W10090 [2,0,0,0,0,0|1,0,1]=4 189 B8R1.2 CC[C@H]1CCCCN1 Y10457 [2,0,0,0,0,0|1,0,1]=4 190 B8R1.2 CNC1CCNCC1 Y10435 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 CNC1CCSCC1 D93432 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 COC1=NCCCC1 D87703 [2,0,0,0,0,0|1,0,1]=4 193 B8R1.2 ICC1CCCCC1 AC1131 [2,0,0,0,0,0|1,0,1]=4 194 B8R1.2 O=CN1CCCCC1 D77795 [2,0,0,0,0,0|1,0,0]=3 195 B8R1.2 O=C[C@@H]1CCCCN1 62054 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.2 O=C[C@@H]1CCCCO1 79885 [2,0,0,0,0,0|1,0,0]=3 197 B8R1.2 O=C[C@@H]1COCCO1 D78647 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 O=C[C@H]1CCCOC1 79874 [2,0,0,0,0,0|1,0,0]=3 199 B8R1.2 OC[C@H]1CCCNC1 36372 [2,0,0,0,0,0|1,0,1]=4 200 B8R1.2 OC[C@H]1CCCNC1 F14592 [2,0,0,0,0,0|1,0,1]=4 201 B8R1.2 OC[C@H]1CCCNC1 H10949 [2,0,0,0,0,0|1,0,1]=4 202 B8R1.2 OC[C@H]1CCCOC1 38674 [2,0,0,0,0,0|1,0,1]=4 203 B10R0.30 COC(=O)N(CCN)C(C)C 28006 [0,1,1,0,0,0|2,0,0]=4 204 B10R0.51 CC[C@H](C)[C@H](NC)C(=O)OC FD21820 [0,1,1,0,0,0|1,0,0]=3 205 B10R0.73 CCOC(OCC)C(=N)OC AC6777 [0,1,1,0,0,0|2,0,0]=4 206 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,1,1,0,0,0|1,0,0]=3 207 B10R0.18 COCCC(=O)CC(=O)OC T72723 [0,1,1,0,0,0|1,0,1]=4 208 B10R0.55 COC(=O)CCCCC(C)=O F16317 [0,1,1,0,0,0|0,0,1]=3 209 B10R1.13 C=C1CCN(C(C)=O)CC1 F20166 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.13 CC(=O)N1CCC(Cl)CC1 C73926 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.13 CC(=O)N1CCN(C)CC1 AB1017 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.13 CC(=O)N1CCN(C)CC1 Y10612 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [1,1,0,0,0,0|0,0,2]=4 214 B10R1.13 CC(C)[C@H]1CC[C@@H](O)CC1 D78896 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.13 CC(C)[C@H]1CC[C@H](O)CC1 T71864 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [1,1,0,0,0,0|0,0,2]=4 217 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.13 CC1COC(C(=O)O)CN1 F18937 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.13 CN(C)C1CCC(N)CC1 25878 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.13 CN(C)[C@H]1CC[C@@H](O)CC1 20906 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.13 CN(C)[C@H]1CC[C@H](O)CC1 20835 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.13 CN1CCC(C(N)=O)CC1 AB1540 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.13 CN1CCN(C(=O)O)CC1 D81033 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [1,1,0,0,0,0|0,0,2]=4 226 B10R1.13 NC(=O)C1CCC(=O)CC1 S11473 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [1,1,0,0,0,0|0,0,0]=2 228 B10R1.13 O=C(O)C1CCC(O)CN1 F30864 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 86182 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P14578 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P15745 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [1,1,0,0,0,0|0,0,0]=2 233 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [1,1,0,0,0,0|0,0,0]=2 234 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 66144 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.28 CC(C)(O)C1CCCCC1 P15991 [1,1,0,0,0,0|0,0,2]=4 236 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 37183 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 P12012 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 P12013 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.61 CC(=O)N1CCCCC1=O 50302 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.61 CC(C)C1CCCCC1O C77548 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.61 CC1CCNCC1C(=O)O 85195 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.61 CC1CNCCC1C(=O)O P12933 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N C15575 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N F16515 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O W15763 [1,1,0,0,0,0|0,0,2]=4 248 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [1,1,0,0,0,0|0,0,0]=2 249 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [1,1,0,0,0,0|0,0,0]=2 250 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [1,1,0,0,0,0|0,0,0]=2 251 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [1,1,0,0,0,0|0,0,0]=2 252 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [1,1,0,0,0,0|0,0,0]=2 253 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [1,1,0,0,0,0|0,0,0]=2 254 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [1,1,0,0,0,0|0,0,0]=2 255 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O 51259 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.61 O=C([O-])[C@@H]1CCCCC1=O F11699 [1,1,0,0,0,0|0,0,2]=4 257 B10R1.113 CC(=O)N1CCCC(=O)C1 F13225 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 C15558 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 W10102 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.113 CN(C)C1CCCC(N)C1 T71430 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB1537 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [1,1,0,0,0,0|0,0,0]=2 270 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [1,1,0,0,0,0|0,0,0]=2 271 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [1,1,0,0,0,0|0,0,0]=2 273 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [1,1,0,0,0,0|0,0,0]=2 274 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [1,1,0,0,0,0|0,0,0]=2 276 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [1,1,0,0,0,0|0,0,0]=2 277 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [1,1,0,0,0,0|0,0,0]=2 278 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [1,1,0,0,0,0|0,0,0]=2 279 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [1,1,0,0,0,0|0,0,0]=2 280 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96696 [1,1,0,0,0,0|0,0,1]=3 281 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96697 [1,1,0,0,0,0|0,0,1]=3 282 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 F30241 [1,1,0,0,0,0|0,0,1]=3 283 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 F13748 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.363 CC(=O)C1(C)CCCCC1 A11159 [1,1,0,0,0,0|0,0,0]=2 285 B10R1.363 CC(=O)C1(C)CCOCC1 P13993 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.363 CC(C)C1(O)CCCCC1 D93300 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.363 CC1(C(=O)Cl)CCCCC1 CS1017 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.363 CC1(C(=O)O)CCNCC1 30932 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.363 CC1(C(=O)O)CCSCC1 P12320 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.363 C[C@@]1(C(=O)O)CC=CCC1 W11357 [1,1,0,0,0,0|0,0,2]=4 291 B10R1.363 C[C@@]1(C(=O)O)COCCN1 89609 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.363 C[C@]1(C(=O)O)CCCNC1 38435 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.363 C[C@]1(C(=O)O)CCCNC1 55571 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.363 NC(=O)C1(N)CCCCC1 20713 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.363 NC(=O)C1(N)CCOCC1 AB8079 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.363 NC1(C(=O)O)CCSCC1 AC6055 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.363 O=C(O)C1(F)CCCCC1 85750 [1,1,0,0,0,0|0,0,0]=2 298 B10R1.363 O=C(O)C1(F)CCOCC1 38681 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.363 O=C(O)C1(O)CCNCC1 F30328 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.1 CCOC1CCC(N)CC1 AB9186 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.17 BrCCOC1CCCCC1 C77571 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.17 COCCC1CCNCC1 38531 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.17 COCC[C@H]1CCCCN1 C71587 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.18 CC(=O)CC1CCCCC1 D84585 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.18 CC(=O)NC1CCCCC1 A11899 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.18 CN(C)CC1CCCCC1 78298 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.377 COCC1(O)CCNCC1 W19650 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,1,0,0,1,0|0,0,2]=4 310 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [0,1,0,0,1,0|1,0,0]=3 311 B10R1.11 N#CCC(=O)C1CCCC1 84149 [0,1,0,0,1,0|1,0,1]=4 312 B10R1.14 COC(=O)C1CCC(O)C1 P17887 [0,1,0,0,1,0|0,0,0]=2 313 B10R1.14 COC(=O)[C@@H]1CCC(=S)N1 W12371 [0,1,0,0,1,0|1,0,1]=4 314 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,1,0,0,1,0|0,0,0]=2 315 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,1,0,0,1,0|0,0,0]=2 316 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P13902 [0,1,0,0,1,0|0,0,0]=2 317 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 71650 [0,1,0,0,1,0|1,0,0]=3 318 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 AT21627 [0,1,0,0,1,0|1,0,0]=3 319 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 72963 [0,1,0,0,1,0|1,0,0]=3 320 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 83570 [0,1,0,0,1,0|1,0,0]=3 321 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 C11590 [0,1,0,0,1,0|0,0,2]=4 322 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 P16224 [0,1,0,0,1,0|0,0,2]=4 323 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P10176 [0,1,0,0,1,0|0,0,1]=3 324 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P12477 [0,1,0,0,1,0|0,0,1]=3 325 B10R1.14 COC(=O)[C@H]1CCN(C)C1 F12360 [0,1,0,0,1,0|1,0,0]=3 326 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 P16721 [0,1,0,0,1,0|0,0,0]=2 327 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,1,0,0,1,0|0,0,0]=2 328 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,1,0,0,1,0|0,0,0]=2 329 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P16736 [0,1,0,0,1,0|0,0,0]=2 330 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 42244 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 C77916 [0,1,0,0,1,0|2,0,0]=4 332 B10R1.23 CN(C)C(=O)[C@H]1CCNC1 D80577 [0,1,0,0,1,0|2,0,0]=4 333 B10R1.23 C[C@H](O)C(=O)N1CCCC1 75158 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.149 COC(=O)C1CNCC1C F21201 [0,1,0,0,1,0|1,0,0]=3 335 B10R1.149 COC(=O)[C@@H]1CCCN1C D94450 [0,1,0,0,1,0|1,0,0]=3 336 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 30654 [0,1,0,0,1,0|0,0,0]=2 337 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N N12552 [0,1,0,0,1,0|0,0,0]=2 338 B10R1.149 COC(=O)[C@@H]1CCNC1=O 36442 [0,1,0,0,1,0|1,0,1]=4 339 B10R1.149 COC(=O)[C@@H]1CCOC1=O F31228 [0,1,0,0,1,0|1,0,1]=4 340 B10R1.149 COC(=O)[C@@H]1COC[C@@H]1N P15748 [0,1,0,0,1,0|1,0,0]=3 341 B10R1.149 COC(=O)[C@@H]1SCCC1=O 84770 [0,1,0,0,1,0|1,0,1]=4 342 B10R1.149 COC(=O)[C@H]1CCC[C@@H]1N D96592 [0,1,0,0,1,0|0,0,0]=2 343 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C 95112 [0,1,0,0,1,0|1,0,0]=3 344 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P17333 [0,1,0,0,1,0|1,0,0]=3 345 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P20900 [0,1,0,0,1,0|1,0,0]=3 346 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C S12236 [0,1,0,0,1,0|1,0,0]=3 347 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O 89325 [0,1,0,0,1,0|1,0,0]=3 348 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O P15500 [0,1,0,0,1,0|1,0,0]=3 349 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P14684 [0,1,0,0,1,0|1,0,0]=3 350 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O VT1192 [0,1,0,0,1,0|1,0,0]=3 351 B10R1.411 CNC(=O)C1(N)CCCC1 P18998 [0,1,0,0,1,0|1,0,0]=3 352 B10R1.411 COC(=O)C1(Br)CCCC1 W12602 [0,1,0,0,1,0|0,0,0]=2 353 B10R1.411 COC(=O)C1(O)CCCC1 P15503 [0,1,0,0,1,0|0,0,0]=2 354 B10R1.411 COC(=O)[C@@]1(C)CCNC1 P11476 [0,1,0,0,1,0|1,0,0]=3 355 B10R1.411 COC(=O)[C@]1(Br)CCOC1 W19570 [0,1,0,0,1,0|1,0,0]=3 356 B10R1.411 COC(=O)[C@]1(C)CCCO1 38867 [0,1,0,0,1,0|1,0,0]=3 357 B10R1.411 COC(=O)[C@]1(F)CCNC1 72785 [0,1,0,0,1,0|1,0,0]=3 358 B10R1.411 COC(=O)[C@]1(N)CCOC1 P13106 [0,1,0,0,1,0|1,0,0]=3 359 B12R1.32 CCOC(=O)C=C1CCCCC1 76494 [0,1,0,0,0,1|0,0,1]=3 360 B12R1.32 CCOC(=O)C=C1CCNCC1 W18114 [0,1,0,0,0,1|1,0,1]=4 361 B12R1.32 CCOC(=O)CC1CCSCC1 D83795 [0,1,0,0,0,1|1,0,0]=3 362 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61904 [0,1,0,0,0,1|1,0,0]=3 363 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61925 [0,1,0,0,0,1|1,0,0]=3 364 B12R1.32 CCOC(=O)C[C@H]1CNCCO1 AB1438 [0,1,0,0,0,1|2,0,0]=4 365 B12R1.32 CCOC(=O)\C=C1\CCCNC1 Y10007 [0,1,0,0,0,1|1,0,1]=4 366 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 F50286 [0,1,0,0,0,1|1,0,0]=3 367 B12R1.49 COC(=O)CN1CCC(O)CC1 W15943 [0,1,0,0,0,1|1,0,0]=3 368 B12R1.50 COC(=O)CN1CCC[C@H](O)C1 W15205 [0,1,0,0,0,1|1,0,0]=3 369 B12R1.371 COC(=O)CC1CNCCC1C P16234 [0,1,0,0,0,1|1,0,0]=3 370 B12R1.3524 COC(=O)CC1(N)CCOCC1 63923 [0,1,0,0,0,1|1,0,0]=3 371 B12R1.1658 COC(=O)[C@H]1CCCC(=O)CC1 63245 [0,1,0,0,0,1|0,0,0]=2 372 B12R1.1731 COC(=O)C1(N)CCCCCC1 W19002 [0,1,0,0,0,1|0,0,0]=2 373 B12R1.9 COC(C)(C)[C@H]1CC[C@H](N)CC1 D79598 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.478 CO[C@H](C(=O)O)C1CCOCC1 P18862 [0,2,0,0,0,0|1,0,1]=4 375 B12R1.16 C=C1CCC(C(=O)OCC)CC1 84696 [0,2,0,0,0,0|0,0,1]=3 376 B12R1.16 CCOC(=O)C1CCC(Br)CC1 F20739 [0,2,0,0,0,0|0,0,0]=2 377 B12R1.16 CCOC(=O)C1CCC(F)CC1 D79007 [0,2,0,0,0,0|0,0,0]=2 378 B12R1.16 CCOC(=O)C1CCC(N)CC1 AB9199 [0,2,0,0,0,0|0,0,0]=2 379 B12R1.16 CCOC(=O)[C@H]1CC[C@@H](O)CC1 F21258 [0,2,0,0,0,0|0,0,0]=2 380 B12R1.16 CCOC(=O)[C@H]1CC[C@H](N)CC1 AB9198 [0,2,0,0,0,0|0,0,0]=2 381 B12R1.16 COCC(=O)N1CCC(N)CC1 W15243 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.17 CCOC(=O)C1CC(C)CCN1 P20864 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.17 CCOC(=O)C1CCCC(N)C1 O11772 [0,2,0,0,0,0|0,0,0]=2 384 B12R1.17 CCOC(=O)C1CNCC(O)C1 69576 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.17 CCOC(=O)[C@@H]1CC(=O)CCO1 P12863 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](O)C1 P18601 [0,2,0,0,0,0|0,0,0]=2 387 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](O)C1 P19697 [0,2,0,0,0,0|0,0,0]=2 388 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](O)C1 P20275 [0,2,0,0,0,0|0,0,0]=2 389 B12R1.17 CCOC(=O)[C@@H]1CN(C)CCN1 20827 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.17 CCOC(=O)[C@@H]1C[C@@H](N)CCO1 D79029 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.17 CCOC(=O)[C@@H]1C[C@H](O)CCO1 AT10315 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 D96698 [0,2,0,0,0,0|0,0,1]=3 393 B12R1.17 CCOC(=O)[C@H]1CCC[C@H](O)C1 P18602 [0,2,0,0,0,0|0,0,0]=2 394 B12R1.308 CCOC(=O)C1=CCCC[C@@H]1O Y11610 [0,2,0,0,0,0|0,0,2]=4 395 B12R1.308 CCOC(=O)C1CCCCC1O C74768 [0,2,0,0,0,0|0,0,0]=2 396 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N P19069 [0,2,0,0,0,0|0,0,0]=2 397 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Y13526 [0,2,0,0,0,0|0,0,0]=2 398 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Y13543 [0,2,0,0,0,0|0,0,0]=2 399 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O 68491 [0,2,0,0,0,0|0,0,0]=2 400 B12R1.308 CCOC(=O)[C@@H]1CCOCC1=O 56726 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.308 CCOC(=O)[C@@H]1COCCC1=O 82580 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.308 CCOC(=O)[C@@H]1COCC[C@@H]1N 66160 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1N D95476 [0,2,0,0,0,0|0,0,0]=2 404 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1N F53563 [0,2,0,0,0,0|0,0,0]=2 405 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1O 68490 [0,2,0,0,0,0|0,0,0]=2 406 B12R1.308 CCOC(=O)[C@H]1CCCN[C@@H]1C 50727 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C 50670 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.308 CCOC(=O)[C@H]1CCNC[C@H]1C 60937 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.1595 CCOC(=O)C1(F)CCNCC1 30426 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.1595 CCOC(=O)C1(N)CCOCC1 D82560 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.1595 CCOC(=O)[C@@]1(C)CCCNC1 C74524 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.5 CN[C@H]1CC[C@H](C(=O)OC)CC1 D96832 [0,2,0,0,0,0|0,0,0]=2 413 B12R1.5 COC(=O)C1CCC(C#N)CC1 D96648 [0,2,0,0,0,0|0,0,0]=2 414 B12R1.5 COC(=O)C1CCC(C=O)CC1 94178 [0,2,0,0,0,0|0,0,0]=2 415 B12R1.5 COC(=O)C1CCC(CBr)CC1 F51604 [0,2,0,0,0,0|0,0,0]=2 416 B12R1.5 COC(=O)C1CCC(CO)CC1 F30207 [0,2,0,0,0,0|0,0,0]=2 417 B12R1.5 COC(=O)[C@H]1CC[C@@H](CO)CC1 D93334 [0,2,0,0,0,0|0,0,0]=2 418 B12R1.5 COC(=O)[C@H]1CC[C@H](CO)CC1 P15628 [0,2,0,0,0,0|0,0,0]=2 419 B12R1.5 COC(=O)[C@H]1CC[C@H](CO)NC1 C14998 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.367 COC(=O)N1CCC(=O)[C@@H](C)C1 AC2420 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.367 COC(=O)[C@H]1CCN(C)C(=O)C1 37253 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.1704 COC(=O)C1CCS(=O)(=O)CC1 D83796 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.1704 COC(=O)[C@@H]1COC(C)(C)CN1 63207 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.1704 COC(=O)[C@@H]1COC(C)(C)CN1 63208 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.3435 COC(=O)C1(N)CCN(C)CC1 20807 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.3435 COC(=O)C1(N)CCN(C)CC1 AB11621 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.24 COC(=O)[C@@H]1CCCC(=O)N1C P15171 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.435 COC(=O)C1CCCC(C=O)C1 P16243 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.435 COC(=O)C1CCCC(CO)C1 P20235 [0,2,0,0,0,0|0,0,0]=2 430 B12R1.1707 COC(=O)[C@@H]1CC(F)(F)CCN1 D79489 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.1707 COC(=O)[C@@H]1CC(F)(F)CCN1 P19883 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.366 COC(=O)[C@H]1CCNCC1(F)F D97107 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.1729 COC(=O)[C@]1(C)COCCC1=O P13992 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.3454 C#CC1(C(=O)OC)CCOCC1 P20963 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.3454 COC(=O)C1(C#N)CCNCC1 79701 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.3454 COC(=O)C1(CN)CCCCC1 63984 [0,2,0,0,0,0|0,0,0]=2 437 B12R1.3454 COC(=O)C1(CN)CCOCC1 63926 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.3454 COC(=O)C1(OC)CCNCC1 P17888 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.169 COC(=O)C1CC(C=O)C1 F16729 [0,0,1,1,0,0|1,0,1]=4 440 B10R1.169 COC(=O)C1CC(CN)C1 P14518 [0,0,1,1,0,0|1,0,0]=3 441 B10R1.169 COC(=O)C1CC(CO)C1 W11147 [0,0,1,1,0,0|1,0,0]=3 442 B10R1.169 COC(=O)[C@H]1C[C@@H](CO)C1 D96731 [0,0,1,1,0,0|1,0,0]=3 443 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67401 [0,0,1,1,0,0|1,0,0]=3 444 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67408 [0,0,1,1,0,0|1,0,0]=3 445 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53592 [0,0,1,1,0,0|1,0,0]=3 446 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53678 [0,0,1,1,0,0|1,0,0]=3 447 B10R1.182 COC(=O)[C@@H](N)C1COC1 59697 [0,0,1,1,0,0|2,0,0]=4 448 B10R1.182 COC(=O)[C@@H](N)C1COC1 93236 [0,0,1,1,0,0|2,0,0]=4 449 B10R1.184 CNC(=O)[C@@H](N)CC1CC1 P18030 [0,0,1,1,0,0|2,0,0]=4 450 B10R1.184 COC(=O)[C@@H](O)CC1CC1 69648 [0,0,1,1,0,0|1,0,0]=3 451 B10R1.275 CN1CCCC[C@H](N)C1=O 66077 [0,0,1,1,0,0|2,0,0]=4 452 B10R1.2 CN1CCC[C@H](CN)C1=O 85553 [0,0,1,1,0,0|2,0,0]=4 453 B10R1.422 COC(=O)C1(CN)CCC1 36127 [0,0,1,1,0,0|1,0,0]=3 454 B10R1.422 COC(=O)C1(OC)CNC1 38964 [0,0,1,1,0,0|2,0,0]=4 455 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,0,1,1,0,0|2,0,0]=4 456 B10R1.27 COC(=O)C[C@H]1CCCN1 27751 [0,0,1,1,0,0|1,0,0]=3 457 B10R1.27 COC(=O)C[C@H]1CCCN1 C74748 [0,0,1,1,0,0|1,0,0]=3 458 B10R1.27 COC(=O)C[C@H]1CCNC1 11209 [0,0,1,1,0,0|1,0,0]=3 459 B10R1.27 COC(=O)C[C@H]1CCNC1 11210 [0,0,1,1,0,0|1,0,0]=3 460 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,0,1,1,0,0|1,0,0]=3 461 B10R1.78 O=C1CCCCCCCN1 D74918 [0,0,1,1,0,0|1,0,0]=3 462 B10R2.61 O=C1OC2C=CCC1C2 N13104 [1,0,0,1,0,0|0,0,2]=4 463 B10R2.62 O=C1CC2CCC1CC2 91055 [1,0,0,1,0,0|0,0,0]=2 464 B10R2.62 O=C1CC2CCC1CN2 P14923 [1,0,0,1,0,0|1,0,0]=3 465 B10R2.62 O=C1NC2CCC1CC2 38593 [1,0,0,1,0,0|1,0,0]=3 466 B10R2.62 O[C@H]1CC2CCC1CC2 C73587 [1,0,0,1,0,0|0,0,2]=4 467 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 P17252 [1,0,0,1,0,0|2,0,0]=4 468 B10R2.351 O=C(O)C1C2CCOC21 P17384 [1,0,0,1,0,0|1,0,0]=3 469 B10R2.355 O=C(O)C1NCC2CC21 P16025 [1,0,0,1,0,0|1,0,0]=3 470 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 54180 [1,0,0,1,0,0|2,0,0]=4 471 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 D82603 [1,0,0,1,0,0|2,0,0]=4 472 B10R2.357 O=C(O)C1CC2CC2C1 38234 [1,0,0,1,0,0|0,0,0]=2 473 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 38337 [1,0,0,1,0,0|1,0,0]=3 474 B10R2.7 C1CCC2COCC2C1 D93889 [1,0,0,1,0,0|0,0,1]=3 475 B10R2.7 C1CC[C@@H]2CNC[C@H]2C1 W10889 [1,0,0,1,0,0|1,0,1]=4 476 B10R2.408 C1CC2COCC(C1)N2 P13391 [1,0,0,1,0,0|1,0,1]=4 477 B10R2.409 C1CC2CCC1CNC2 P17930 [1,0,0,1,0,0|1,0,1]=4 478 B10R2.484 C1CC2(CCN1)COC2 59845 [1,0,0,1,0,0|1,0,1]=4 479 B10R2.484 C1CCC2(CC1)CNC2 33402 [1,0,0,1,0,0|1,0,1]=4 480 B10R2.484 C1CNCC2(C1)COC2 32830 [1,0,0,1,0,0|1,0,1]=4 481 B10R2.484 C1CNCC2(C1)COC2 39205 [1,0,0,1,0,0|1,0,1]=4 482 B10R2.484 C1CNCC2(C1)COC2 CS2136 [1,0,0,1,0,0|1,0,1]=4 483 B10R2.3 O=C1CC[C@@]12CCOC2 84551 [0,0,0,1,1,0|2,0,0]=4 484 B10R2.32 O=C1CCC2CNCC12 P10378 [0,0,0,1,1,0|2,0,0]=4 485 B10R2.178 O=C1NCC2CCC1N2 P17879 [0,0,0,1,1,0|2,0,0]=4 486 B12R2.18 CN1C(=O)NC2CNCCC21 P12717 [0,0,0,1,0,1|2,0,0]=4 487 B12R2.1626 COC(=O)C[C@@H]1[C@@H]2CNC[C@@H]21 P20047 [0,0,0,1,0,1|1,0,0]=3 488 B12R2.2918 O=C1CC2(CCNCC2)CN1 26301 [0,0,0,1,0,1|2,0,0]=4 489 B12R2.2918 O=C1CC2(CCNCC2)CN1 79608 [0,0,0,1,0,1|2,0,0]=4 490 B12R2.2918 O=C1CCC2(CCCCC2)N1 91434 [0,0,0,1,0,1|1,0,0]=3 491 B12R2.2918 O=C1CCC2(CCNCC2)N1 P13123 [0,0,0,1,0,1|2,0,0]=4 492 B12R2.2918 O=C1CCC2(CCNCC2)O1 33494 [0,0,0,1,0,1|2,0,0]=4 493 B12R2.2918 O=C1C[C@@]2(CCCNC2)CN1 P11463 [0,0,0,1,0,1|2,0,0]=4 494 B12R2.2918 O=C1NC2(CCNCC2)CO1 27960 [0,0,0,1,0,1|1,0,0]=3 495 B12R2.2918 O=C1NC2(CCNCC2)CO1 C90103 [0,0,0,1,0,1|1,0,0]=3 496 B12R2.2918 O=C1NCC2(CCNCC2)N1 27896 [0,0,0,1,0,1|2,0,0]=4 497 B12R2.2918 O=C1NCC2(CCNCC2)N1 55637 [0,0,0,1,0,1|2,0,0]=4 498 B12R2.2918 O=C1NCC2(CCNCC2)O1 W17464 [0,0,0,1,0,1|2,0,0]=4 499 B12R2.1585 COC(=O)C1CCC2OC2C1 36356 [0,0,0,1,0,1|0,0,0]=2 500 B12R2.138 CC1(C)C(=O)[C@H]2CCCC[C@H]21 P20519 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.8 O=C1CCCC12CCNCC2 W14107 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.8 O=C1NCCC12CCCCC2 C10748 [0,1,0,1,0,0|1,0,0]=3 503 B12R2.8 O=C1NCCC12CCNCC2 26546 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.8 O=C1NCC[C@@]12CCCNC2 36042 [0,1,0,1,0,0|2,0,0]=4 505 B12R2.8 O=C1OCCC12CCNCC2 F52500 [0,1,0,1,0,0|1,0,0]=3 506 B12R2.13 O=C1CC(=O)C12CCCCC2 C12179 [0,1,0,1,0,0|1,0,1]=4 507 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 68528 [0,1,0,1,0,0|2,0,0]=4 508 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 87615 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.1469 CCOC(=O)C12CNCC1C2 P16695 [0,1,0,1,0,0|1,0,0]=3 510 B12R2.1479 CCOC(=O)C1C2CNCC21 68948 [0,1,0,1,0,0|1,0,0]=3 511 B12R2.1479 CCOC(=O)C1[C@H]2CNC[C@@H]12 P20480 [0,1,0,1,0,0|1,0,0]=3 512 B12R2.1479 CCOC(=O)[C@@H]1[C@H]2COC[C@H]21 P14315 [0,1,0,1,0,0|1,0,0]=3 513 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 T70765 [0,1,0,1,0,0|0,0,1]=3 514 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 T71260 [0,1,0,1,0,0|0,0,1]=3 515 B12R2.2075 O=C(C1CCNCC1)C2CC2 54143 [0,1,0,1,0,0|2,0,0]=4 516 B12R2.1596 COC(=O)C1CC2C=CC1O2 D79375 [0,1,0,1,0,0|0,0,2]=4 517 B12R2.1596 COC(=O)C1CC2CC1CN2 D79700 [0,1,0,1,0,0|1,0,0]=3 518 B12R2.1596 COC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 D79376 [0,1,0,1,0,0|0,0,0]=2 519 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [1,0,0,0,1,0|1,0,0]=3 520 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [1,0,0,0,1,0|2,0,0]=4 521 B8R1.7 C[C@H](N)C1CCCC1 66137 [1,0,0,0,1,0|1,0,1]=4 522 B8R1.7 C[C@H](N)C1CCCC1 83604 [1,0,0,0,1,0|1,0,1]=4 523 B8R1.7 NC(=O)N1CCCC1 32811 [1,0,0,0,1,0|2,0,0]=4 524 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [1,0,0,0,1,0|2,0,0]=4 525 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [1,0,0,0,1,0|2,0,0]=4 526 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [1,0,0,0,1,0|2,0,0]=4 527 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [1,0,0,0,1,0|2,0,0]=4 528 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,0,1,0|1,0,0]=3 529 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [1,0,0,0,1,0|2,0,0]=4 530 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [1,0,0,0,1,0|2,0,0]=4 531 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,0,1,0|1,0,0]=3 532 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,0,1,0|1,0,0]=3 533 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,0,1,0|1,0,0]=3 534 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,0,1,0|1,0,0]=3 535 B8R1.8 COC[C@H]1CCCN1 11152 [1,0,0,0,1,0|1,0,1]=4 536 B8R1.8 COC[C@H]1CCCN1 11153 [1,0,0,0,1,0|1,0,1]=4 537 B8R1.8 COC[C@H]1CCCN1 71289 [1,0,0,0,1,0|1,0,1]=4 538 B8R1.8 COC[C@H]1CCNC1 72010 [1,0,0,0,1,0|1,0,1]=4 539 B8R1.8 COC[C@H]1CCNC1 P10622 [1,0,0,0,1,0|1,0,1]=4 540 B8R1.8 COC[C@H]1CCNC1 P12588 [1,0,0,0,1,0|1,0,1]=4 541 B8R1.8 COC[C@H]1CCNC1 P15249 [1,0,0,0,1,0|1,0,1]=4 542 B8R1.8 COC[C@H]1CCNC1 P15255 [1,0,0,0,1,0|1,0,1]=4 543 B8R1.38 CCC(=O)C1COC1 D79147 [0,0,0,0,2,0|2,0,0]=4 544 B8R1.38 CNC(=O)C1CNC1 P20515 [0,0,0,0,2,0|2,0,0]=4 545 B8R1.38 COC(=O)C1COC1 81275 [0,0,0,0,2,0|1,0,0]=3 546 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,0,0,0,2,0|1,0,0]=3 547 B10R0.29 CCC[C@H](CC)CC(=O)OC D94272 [0,0,1,0,0,1|0,0,0]=2 548 B10R1.348 CC(=O)N1CCCNCC1 W19159 [1,0,0,0,0,1|1,0,0]=3 549 B10R1.348 CN(C)[C@H]1CCCCNC1 F17126 [1,0,0,0,0,1|2,0,0]=4 550 B10R1.348 N=C(N)C1CCCCCC1 A11705 [1,0,0,0,0,1|2,0,0]=4 551 B10R1.348 NC(=O)C1CCCCCC1 C72770 [1,0,0,0,0,1|1,0,0]=3 552 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [1,0,0,0,0,1|1,0,0]=3 553 B10R1.348 O=C(O)C1CCC=CCC1 C73071 [1,0,0,0,0,1|0,0,1]=3 554 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [1,0,0,0,0,1|0,0,0]=2 555 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [1,0,0,0,0,1|0,0,0]=2 556 B12R1.27 COC(=O)CCC1CCNCC1 AT13298 [0,0,0,0,0,2|1,0,0]=3 557 B12R1.27 COC(=O)CCC1CCNCC1 P20545 [0,0,0,0,0,2|1,0,0]=3 558 B12R1.27 COC(=O)CCN1CCNCC1 AT22940 [0,0,0,0,0,2|2,0,0]=4 559 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 C72430 [0,0,0,0,0,2|1,0,0]=3