0 B12R1.32 CCOC(=O)C=C1CCCCC1 76494 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.32 CCOC(=O)C=C1CCNCC1 W18114 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.32 CCOC(=O)CC1CCSCC1 D83795 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61904 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61925 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.32 CCOC(=O)C[C@H]1CNCCO1 AB1438 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.32 CCOC(=O)\C=C1\CCCNC1 Y10007 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.28 CCCCO[C@@H]1CCCCO1 D80647 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.28 OCCCCC1CCCCC1 F53310 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.40 COC(=O)C[C@H]1CCCNC1 64247 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.40 COC(=O)C[C@H]1CCCNC1 64248 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.19 CCOC(=O)CC1CCC(O)CC1 AB10377 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.19 CCOC(=O)CC1CCN(C)CC1 S11244 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 C76441 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.20 CCOC(=O)CC1CCNC(C)C1 P16288 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.47 CCOC(=O)[C@@H](Br)C1CCCCC1 Y11378 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.470 CCOC(=O)CC1CCNCC1C P14638 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.470 CCOC(=O)CC1CCOCC1F W11884 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.2570 CCOC(=O)CC1(F)CCNCC1 P21022 [0,1,0,0,0,0|3,0,0]=4 20 B11R0.4 CCCCCCNC(=O)CCC W15994 [0,0,1,0,0,0|1,0,0]=2 21 B11R0.182 CCC[C@H](CC)CC(=O)OCC D93218 [0,0,1,0,0,0|2,0,0]=3 22 B13R2.11128 O=C1CC2(CCNCC2)CCN1 O10929 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.11128 O=C1CC2(CCNCC2)CCN1 P18363 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.11128 O=C1CCCC2(CCNCC2)N1 P10895 [0,0,0,1,0,0|2,0,0]=3 25 B13R2.11128 O=C1NC2(CCNCC2)CCO1 P13183 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.11128 O=C1NCCC2(CCNCC2)O1 C73022 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.16 CCCC(=O)N1CCNCC1 D76298 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 S11652 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 31686 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.16 CCOC(=O)[C@@H]1CNCCS1 32555 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.16 CCOC(=O)[C@@H]1CSCCN1 66701 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.16 N#CCC(=O)C1CCOCC1 P12066 [0,0,0,0,1,0|2,0,1]=4 33 B11R1.16 [C-]#[N+]CC(=O)N1CCCCC1 P20789 [0,0,0,0,1,0|2,0,1]=4 34 B11R1.30 CCOC(=O)C=C1CCCC1 95468 [0,0,0,0,1,0|2,0,1]=4 35 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,0,0,0,1,0|2,0,0]=3 36 B11R1.30 CCOC(=O)C[C@H]1CCNC1 P12138 [0,0,0,0,1,0|3,0,0]=4 37 B13R1.42 CCOC(=O)CO[C@@H]1CCCCO1 O11739 [0,0,0,0,0,1|2,0,0]=3 38 B13R1.42 CCOC(=O)\C=C\C1CCOCC1 W11645 [0,0,0,0,0,1|3,0,0]=4 39 B10R0.1 CCCC(=O)OCCCSC 73858 [1,0,1,0,0,0|1,0,0]=3 40 B10R0.1 CCCCNCC(=O)OCC AB3730 [1,0,1,0,0,0|2,0,0]=4 41 B10R0.29 CCC[C@H](CC)CC(=O)OC D94272 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.17 BrCCOC1CCCCC1 C77571 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.17 CCCCC1CCNCC1 25962 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.17 OCCOC1CCNCC1 C77513 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.17 OCCOC1CCOCC1 W16008 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.18 CC(=O)CC1CCCCC1 D84585 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.18 CC(=O)NC1CCCCC1 A11899 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [2,0,0,0,0,0|2,0,0]=4 50 B12R0.101 CCCC[C@H](C)CCC(=O)OCC A11793 [0,1,1,0,0,0|2,0,0]=4 51 B12R0.206 CCCCCCO[C@@H](C)CCCC A11150 [0,1,1,0,0,0|1,0,1]=4 52 B12R1.1 COCCO[C@H]1CC[C@H](N)CC1 C73351 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.16 C=C1CCC(C(=O)OCC)CC1 84696 [0,1,0,0,1,0|1,0,1]=4 54 B12R1.16 CCOC(=O)C1CCC(Br)CC1 F20739 [0,1,0,0,1,0|1,0,0]=3 55 B12R1.16 CCOC(=O)C1CCC(F)CC1 D79007 [0,1,0,0,1,0|1,0,0]=3 56 B12R1.16 CCOC(=O)C1CCC(N)CC1 AB9199 [0,1,0,0,1,0|1,0,0]=3 57 B12R1.16 CCOC(=O)[C@H]1CC[C@@H](O)CC1 F21258 [0,1,0,0,1,0|1,0,0]=3 58 B12R1.16 CCOC(=O)[C@H]1CC[C@H](N)CC1 AB9198 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.16 COCC(=O)N1CCC(N)CC1 W15243 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.17 CCOC(=O)C1CC(C)CCN1 P20864 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.17 CCOC(=O)C1CCCC(N)C1 O11772 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.17 CCOC(=O)C1CNCC(O)C1 69576 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](O)C1 P18601 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](O)C1 P19697 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](O)C1 P20275 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.17 CCOC(=O)[C@@H]1C[C@@H](N)CCO1 D79029 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.17 CCOC(=O)[C@@H]1C[C@H](O)CCO1 AT10315 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 D96698 [0,1,0,0,1,0|1,0,1]=4 69 B12R1.17 CCOC(=O)[C@H]1CCC[C@H](O)C1 P18602 [0,1,0,0,1,0|1,0,0]=3 70 B12R1.308 CCOC(=O)C1CCCCC1O C74768 [0,1,0,0,1,0|1,0,0]=3 71 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N P19069 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Y13526 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Y13543 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O 68491 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.308 CCOC(=O)[C@@H]1COCC[C@@H]1N 66160 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1N D95476 [0,1,0,0,1,0|1,0,0]=3 77 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1N F53563 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1O 68490 [0,1,0,0,1,0|1,0,0]=3 79 B12R1.308 CCOC(=O)[C@H]1CCCN[C@@H]1C 50727 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C 50670 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.308 CCOC(=O)[C@H]1CCNC[C@H]1C 60937 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.1595 CCOC(=O)C1(F)CCNCC1 30426 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.1595 CCOC(=O)C1(N)CCOCC1 D82560 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.1595 CCOC(=O)[C@@]1(C)CCCNC1 C74524 [0,1,0,0,1,0|2,0,0]=4 85 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 W18858 [0,1,0,0,0,1|2,0,0]=4 86 B14R1.35 CCOC(=O)[C@@H](C)C1CCC(O)CC1 P18097 [0,2,0,0,0,0|2,0,0]=4 87 B14R1.6824 CCOC(=O)CC1CCC(F)(F)CC1 Y10414 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.604 CCOC(=O)[C@@H](C#N)C1CCCCC1 W18869 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.51 CCOC(=O)CCC1CCCC1 AB7178 [0,0,1,1,0,0|2,0,0]=4 90 B12R2.2 C1CCC([C@@H]2CCCN2)CC1 AR1073 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.2058 C1CC(OC2CCNCC2)C1 72744 [1,0,0,1,0,0|1,0,1]=4 92 B12R2.4370 C1CCC2(CC1)OCCCO2 D93393 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.4370 C1CCC2(CCNCC2)OC1 F13281 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.2918 O=C1CCC2(CCCCC2)N1 91434 [1,0,0,1,0,0|1,0,0]=3 95 B12R2.2918 O=C1CCC2(CCNCC2)N1 P13123 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.2918 O=C1CCC2(CCNCC2)O1 33494 [1,0,0,1,0,0|1,0,0]=3 97 B12R2.2918 O=C1NCC2(CCNCC2)O1 W17464 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.13 O=C1CC(=O)C12CCCCC2 C12179 [0,0,0,1,1,0|1,0,1]=4 99 B12R2.1469 CCOC(=O)C12CNCC1C2 P16695 [0,0,0,1,1,0|2,0,0]=4 100 B12R2.1479 CCOC(=O)C1C2CNCC21 68948 [0,0,0,1,1,0|2,0,0]=4 101 B12R2.1479 CCOC(=O)C1[C@H]2CNC[C@@H]12 P20480 [0,0,0,1,1,0|2,0,0]=4 102 B12R2.1479 CCOC(=O)[C@@H]1[C@H]2COC[C@H]21 P14315 [0,0,0,1,1,0|2,0,0]=4 103 B12R2.2075 O=C(C1CC1)N2CCOCC2 Y10834 [0,0,0,1,1,0|2,0,0]=4 104 B12R2.2075 O=C(C1CCNCC1)C2CC2 54143 [0,0,0,1,1,0|1,0,0]=3 105 B12R2.5121 O=C1CCOC2(CCCC2)C1 87243 [0,0,0,1,1,0|2,0,0]=4 106 B14R2.24 O=C1CCCCN1C2CCNCC2 53910 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.24 O=C1CNCCN1C2CCOCC2 CS2370 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.30027 O=C1CC(=O)CC2(CCCCC2)C1 84863 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.15 CCC(=O)C1CCCCC1 F53827 [1,0,0,0,1,0|0,0,0]=2 110 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [1,0,0,0,1,0|1,0,1]=4 111 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [1,0,0,0,1,0|1,0,1]=4 112 B10R1.15 CNC(=O)[C@H]1CCCNC1 D75606 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12591 [1,0,0,0,1,0|2,0,0]=4 114 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12592 [1,0,0,0,1,0|2,0,0]=4 115 B10R1.15 COC(=O)C1CCSCC1 74108 [1,0,0,0,1,0|2,0,0]=4 116 B10R1.15 COC(=O)[C@H]1CCCNC1 P10578 [1,0,0,0,1,0|2,0,0]=4 117 B10R1.15 NCC(=O)N1CCCCC1 F21140 [1,0,0,0,1,0|2,0,0]=4 118 B10R1.15 O=C(CBr)C1CCOCC1 P11188 [1,0,0,0,1,0|2,0,0]=4 119 B10R1.15 O=C(CBr)N1CCCCC1 S12026 [1,0,0,0,1,0|2,0,0]=4 120 B10R1.15 O=C(CO)C1CCCCC1 D93099 [1,0,0,0,1,0|1,0,0]=3 121 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [0,0,0,0,2,0|2,0,0]=4 122 B10R1.11 N#CCC(=O)C1CCCC1 84149 [0,0,0,0,2,0|1,0,1]=4