0 B11R1.1074 CC[C@@]1(C(=O)O)COCCN1 AC1773 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.1074 COC1(C(=O)O)CCCCC1 D79224 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.1074 COC1(C(=O)O)CCNCC1 P12341 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.1074 N#CC1(C(=O)O)CCOCC1 59349 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.1074 NCC1(C(=O)O)CCOCC1 51616 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.1074 O=C(O)C1(CO)CCOCC1 A10605 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.363 CC(=O)C1(C)CCCCC1 A11159 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.363 CC(=O)C1(C)CCOCC1 P13993 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.363 CC1(C(=O)Cl)CCCCC1 CS1017 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.363 CC1(C(=O)O)CCNCC1 30932 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.363 CC1(C(=O)O)CCSCC1 P12320 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.363 C[C@@]1(C(=O)O)CC=CCC1 W11357 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.363 C[C@@]1(C(=O)O)COCCN1 89609 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.363 C[C@@]1(C(N)=O)CC=CCC1 W12043 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.363 C[C@]1(C(=O)O)CCCNC1 38435 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.363 C[C@]1(C(=O)O)CCCNC1 55571 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.363 NC(=O)C1(N)CCCCC1 20713 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.363 NC(=O)C1(N)CCOCC1 AB8079 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.363 NC1(C(=O)O)CCSCC1 AC6055 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.363 O=C(O)C1(F)CCCCC1 85750 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.363 O=C(O)C1(F)CCOCC1 38681 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.363 O=C(O)C1(O)CCNCC1 F30328 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.487 CCC1(CO)CCOCC1 W15965 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.2627 CCNC1(C(N)=O)CCNCC1 25042 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.3098 O=C(O)C1(C(=O)O)CCCCC1 D97450 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.3098 O=C(O)C1(C(=O)O)CCOCC1 24483 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.3454 C#CC1(C(=O)OC)CCOCC1 P20963 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.3454 COC(=O)C1(C#N)CCNCC1 79701 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.3454 COC(=O)C1(CN)CCCCC1 63984 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.3454 COC(=O)C1(CN)CCOCC1 63926 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.3454 COC(=O)C1(OC)CCNCC1 P17888 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.3824 COC1(C(=O)O)CCN(C)CC1 P21137 [0,1,0,0,0,0|2,0,0]=3 32 B12R2.8 O=C1CCCC12CCNCC2 W14107 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.8 O=C1NCCC12CCCCC2 C10748 [0,0,0,1,0,0|2,0,0]=3 34 B12R2.8 O=C1NCCC12CCNCC2 26546 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.8 O=C1NCC[C@@]12CCCNC2 36042 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.8 O=C1OCCC12CCNCC2 F52500 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.13 O=C1CC(=O)C12CCCCC2 C12179 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.6473 O=C(O)C12CCC(CC1)CC2 27624 [0,0,0,1,0,0|1,0,0]=2 39 B12R2.6473 O=C(O)C12CCN(CC1)CC2 38795 [0,0,0,1,0,0|2,0,0]=3 40 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 85146 [0,0,0,0,1,0|2,0,0]=3 41 B10R1.477 O=C(O)C1(CO)CCCC1 A50603 [0,0,0,0,1,0|2,0,0]=3 42 B9R0.13 CCCC[C@H](CC)C(=O)O 86085 [1,0,1,0,0,0|1,0,0]=3 43 B9R0.13 CCCC[C@H](CC)C(=O)O 86086 [1,0,1,0,0,0|1,0,0]=3 44 B9R0.47 C=CCCC[C@H](N)C(=O)O F15996 [1,0,1,0,0,0|0,0,2]=4 45 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [1,0,1,0,0,0|0,0,0]=2 46 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [1,0,1,0,0,0|0,0,0]=2 47 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [1,0,1,0,0,0|1,0,0]=3 48 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [1,0,1,0,0,0|1,0,0]=3 49 B9R0.47 NCCSC[C@H](N)C(=O)O FD21310 [1,0,1,0,0,0|2,0,0]=4 50 B9R0.47 N[C@@H](CSCCO)C(=O)O AB10207 [1,0,1,0,0,0|2,0,0]=4 51 B9R0.74 CCC[C@](C)(CC)C(=O)O 27935 [1,0,1,0,0,0|0,0,0]=2 52 B9R0.51 C=CCCC(C)(C)C(=O)O AC8558 [1,0,1,0,0,0|0,0,2]=4 53 B9R0.51 C[C@](N)(CCCN)C(=O)O F11646 [1,0,1,0,0,0|1,0,0]=3 54 B9R1.6 NC(=O)C1CCNCC1 C75011 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.6 O=C(O)C1CCSCC1 24425 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.6 O=C(O)C1SCCCS1 W18220 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.118 C#CC1(C)CCCCC1 D82488 [2,0,0,0,0,0|1,0,1]=4 77 B9R1.118 CC1(C=O)CCOCC1 P15595 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.118 CC1(CO)CCNCC1 26607 [2,0,0,0,0,0|1,0,1]=4 79 B9R1.118 CC1(CO)CCOCC1 31610 [2,0,0,0,0,0|1,0,1]=4 80 B9R1.118 CCC1(N)CCCCC1 21224 [2,0,0,0,0,0|1,0,1]=4 81 B9R1.118 C[C@]1(CO)CCCNC1 38434 [2,0,0,0,0,0|1,0,1]=4 82 B9R1.118 NC1(CO)CCNCC1 P19134 [2,0,0,0,0,0|1,0,1]=4 83 B9R1.118 NC1(CO)CCOCC1 30407 [2,0,0,0,0,0|1,0,1]=4 84 B9R1.118 NC1(CO)CCSCC1 AC1096 [2,0,0,0,0,0|1,0,1]=4 85 B9R1.118 O=NC1(Cl)CCCCC1 F15290 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.220 CN1CCC(F)(C(=O)O)CC1 P21136 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.220 CN1CCC(N)(C(=O)O)CC1 A10139 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.220 CN1CCC(N)(C(=O)O)CC1 AB3036 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.878 CNC(=O)C1(N)CCOCC1 F53162 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.878 COC(=O)C1(C)CCNCC1 39162 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.878 COC(=O)C1(F)CCOCC1 38721 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.878 COC(=O)C1(O)CCNCC1 F30327 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.878 COC(=O)C1(O)CCNCC1 P17749 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.878 COC(=O)[C@]1(C)CCCCN1 P16726 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.878 COC(=O)[C@]1(C)COCCN1 84768 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.1472 COC(=O)C1(CN)CCCC1 33478 [0,1,0,0,1,0|2,0,0]=4 97 B13R1.4472 CCOC(=O)C1(CC)CCNCC1 30515 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.4630 COC(=O)C1(OC)CCC(=O)CC1 P20264 [0,2,0,0,0,0|1,0,1]=4 99 B13R1.10790 CNC1(C(=O)O)CCC(F)(F)CC1 D79028 [0,2,0,0,0,0|0,0,0]=2 100 B11R1.3 CN[C@H]1CC[C@@H](C(=O)O)CC1 W15261 [0,0,1,1,0,0|2,0,0]=4 101 B11R1.3 CO[C@H]1CC[C@@H](C(=O)O)CC1 P15709 [0,0,1,1,0,0|2,0,0]=4 102 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 P12782 [0,0,1,1,0,0|2,0,0]=4 103 B11R1.3 NCC1CCC(C(=O)O)CC1 T71247 [0,0,1,1,0,0|2,0,0]=4 104 B11R1.3 NC[C@H]1CC[C@@H](C(=O)O)CC1 P20836 [0,0,1,1,0,0|2,0,0]=4 105 B11R1.3 O=C(O)C1CCC(CO)CC1 D86447 [0,0,1,1,0,0|2,0,0]=4 106 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)CC1 T72885 [0,0,1,1,0,0|2,0,0]=4 107 B11R1.124 C#CC[C@H]1CN[C@H](C(=O)O)C1 F10142 [0,0,1,1,0,0|0,0,2]=4 108 B11R1.298 NC[C@H](C(=O)O)C1CCCC1 51130 [0,0,1,1,0,0|2,0,0]=4 109 B11R1.565 CN1CCC[C@H](C(=O)O)CC1 63140 [0,0,1,1,0,0|2,0,0]=4 110 B11R1.991 COCCCC1(C(=O)O)CC1 AC4337 [0,0,1,1,0,0|2,0,0]=4 111 B11R1.737 NC1(C(=O)O)CCCCCC1 29636 [0,0,1,1,0,0|2,0,0]=4 112 B11R2.12 O=C1CCC12CCCCC2 84858 [1,0,0,1,0,0|1,0,0]=3 113 B11R2.12 O=C1NCC12CCNCC2 P11601 [1,0,0,1,0,0|2,0,0]=4 114 B11R2.12 O=C1NCC12CCNCC2 P15327 [1,0,0,1,0,0|2,0,0]=4 115 B11R2.12 O[C@H]1CCC12CCCCC2 84857 [1,0,0,1,0,0|1,0,1]=4 116 B11R2.1261 C1CCC2(CC1)CCCN2 33370 [1,0,0,1,0,0|1,0,1]=4 117 B11R2.2086 OCC12CCC(CC1)CC2 P17449 [1,0,0,1,0,0|1,0,1]=4 118 B13R2.11128 O=C1NC2(CCNCC2)CCO1 P13183 [0,0,0,1,0,1|2,0,0]=4 119 B13R2.14 O=C1NCCCC12CCCCC2 D79359 [0,1,0,1,0,0|2,0,0]=4 120 B13R2.22975 CC(=O)C12CCC(O)(CC1)CC2 P20773 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.22975 NC12CCC(C(=O)O)(CC1)CC2 O11157 [0,1,0,1,0,0|1,0,0]=3 122 B13R2.22975 NC12CCC(C(=O)O)(CC1)CC2 S11441 [0,1,0,1,0,0|1,0,0]=3 123 B13R2.22975 O=C(O)C12CCC(O)(CC1)CC2 54982 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.163 CC(=O)C1(O)CCCC1 AB1008 [1,0,0,0,1,0|2,0,0]=4 125 B9R1.163 CC1(C(=O)O)CCCC1 D78698 [1,0,0,0,1,0|0,0,0]=2 126 B9R1.163 C[C@@]1(C(N)=O)CCCN1 32506 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.163 C[C@]1(C(=O)O)CCNC1 C14721 [1,0,0,0,1,0|1,0,0]=3 128 B9R1.163 C[C@]1(C(=O)O)CCNC1 D79549 [1,0,0,0,1,0|1,0,0]=3 129 B9R1.163 C[C@]1(C(=O)O)CCNC1 F13601 [1,0,0,0,1,0|1,0,0]=3 130 B9R1.163 C[C@]1(C(=O)O)CCOC1 38928 [1,0,0,0,1,0|1,0,0]=3 131 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19621 [1,0,0,0,1,0|1,0,0]=3 132 B9R1.163 N[C@@]1(C(=O)O)CCOC1 53168 [1,0,0,0,1,0|1,0,0]=3 133 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77577 [1,0,0,0,1,0|1,0,0]=3 134 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77578 [1,0,0,0,1,0|1,0,0]=3 135 B9R1.163 N[C@@]1(C(=O)O)CCSC1 20638 [1,0,0,0,1,0|1,0,0]=3 136 B9R1.163 O=C(O)C1(F)CCCC1 85749 [1,0,0,0,1,0|1,0,0]=3 137 B9R1.119 CCC1(C(=O)O)CCC1 72573 [0,0,0,0,2,0|1,0,0]=3 138 B9R1.119 CC[C@@]1(C(=O)O)CCO1 P18489 [0,0,0,0,2,0|2,0,0]=4 139 B9R1.119 COC1(C(=O)O)CNC1 38963 [0,0,0,0,2,0|2,0,0]=4 140 B9R1.119 N#CC1(C(=O)O)CCC1 P17752 [0,0,0,0,2,0|2,0,0]=4 141 B9R1.119 O=C(O)C1(CO)CCC1 F31332 [0,0,0,0,2,0|2,0,0]=4 142 B11R1.928 CC1(CC(=O)O)CCOCC1 D84903 [1,0,0,0,0,1|1,0,0]=3 143 B11R1.928 NC1(CC(=O)O)CCCCC1 25188 [1,0,0,0,0,1|0,0,0]=2 144 B11R1.928 NC1(CC(=O)O)CCCCC1 A50498 [1,0,0,0,0,1|0,0,0]=2