0 B15R2.180125 CC(=O)NC1CC2C(C1(C)CC2)(C)C Amb2227938 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.180125 CC(=O)OC1CC2C([C@]1(C)CC2)(C)C Amb16182600 [0,0,0,0,0,0|0,0,0]=0 2 B15R2.180125 CC1(C)C2CC(CC(C)=O)C1(C)CC2 Amb25230188 [0,0,0,0,0,0|1,0,0]=1 3 B15R2.180125 CC1(C)C2CC(CC(O)=O)C1(C)CC2 Amb23444005 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.180125 CC1(C)C2CC(NC(C)=N)C1(C)CC2 Amb25310365 [0,0,0,0,0,0|2,0,0]=2 5 B15R2.180125 CC1(C)C2CC(NC(N)=N)C1(C)CC2 Amb25103179 [0,0,0,0,0,0|3,0,0]=3 6 B15R2.180125 CC1(C)C2CC(NN(C)C)C1(C)CC2 Amb24726028 [0,0,0,0,0,0|3,0,0]=3 7 B15R2.180125 CC1(C)C2CC(OC(=O)Cl)C1(C)CC2 Amb24623019 [0,0,0,0,0,0|1,0,0]=1 8 B15R2.180125 CC1(C)C2CC(OC(N)=S)C1(C)CC2 Amb24547018 [0,0,0,0,0,0|1,1,0]=2 9 B15R2.180125 CC1(C)C2CC(SC(N)=N)C1(C)CC2 Amb25370644 [0,0,0,0,0,0|2,1,0]=3 10 B15R2.180125 CC1(C)C2C[C@@H](OC(C)=O)C1(C)CC2 Amb22799648 [0,0,0,0,0,0|0,0,0]=0 11 B15R2.180125 CC1(C)[C@@H]2CC(OC(C)=O)[C@@]1(C)CC2 Amb24648803 [0,0,0,0,0,0|0,0,0]=0 12 B15R2.180125 CC1(C)[C@@H]2CC(SC(N)=N)[C@@]1(C)CC2 Amb24542707 [0,0,0,0,0,0|2,1,0]=3 13 B15R2.180125 CC1(C)[C@@H]2C[C@@H](NC(N)=N)[C@@]1(C)CC2 Amb24560359 [0,0,0,0,0,0|3,0,0]=3 14 B15R2.180125 CC1(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]1(C)CC2 Amb20666005 [0,0,0,0,0,0|0,0,0]=0 15 B15R2.180125 CC1(C)[C@@H]2C[C@@H](OC(N)=O)[C@@]1(C)CC2 Amb24519171 [0,0,0,0,0,0|1,0,0]=1 16 B15R2.180125 CC1(C)[C@H]2CC(=CC(O)=O)[C@]1(C)CC2 Amb24540298 [0,0,0,0,0,0|2,0,1]=3 17 B15R2.180125 CC1(C)[C@H]2CC(=NN(C)C)[C@]1(C)CC2 Amb24553868 [0,0,0,0,0,0|3,0,1]=4 18 B15R2.180125 CC1(C)[C@H]2CC(CC(C)=C)[C@]1(C)CC2 Amb24551008 [0,0,0,0,0,0|2,0,0]=2 19 B15R2.180125 CC1(C)[C@H]2C[C@@H](NC(N)=O)[C@]1(C)CC2 Amb24527796 [0,0,0,0,0,0|2,0,0]=2 20 B15R2.180125 CC1(C)[C@H]2C[C@@H](OC(C)=O)[C@]1(C)CC2 Amb24726488 [0,0,0,0,0,0|0,0,0]=0 21 B15R2.180125 CC1(C)[C@H]2C[C@@H](SC(N)=N)[C@]1(C)CC2 Amb25292421 [0,0,0,0,0,0|2,1,0]=3 22 B15R2.180125 CC1(C)[C@H]2C[C@H](NC(C)=O)C1(C)CC2 Amb25333736 [0,0,0,0,0,0|1,0,0]=1 23 B15R2.180125 CC1(C)[C@H]2C[C@H](OC(C)=O)[C@]1(C)CC2 Amb22350431 [0,0,0,0,0,0|0,0,0]=0 24 B15R2.180125 CC1(C)[C@H]2C[C@H](OC(N)=O)[C@]1(C)CC2 Amb25264375 [0,0,0,0,0,0|1,0,0]=1 25 B15R2.180125 CC1(C)[C@H]2C\C(=N/N(C)C)\[C@]1(C)CC2 Amb24536719 [0,0,0,0,0,0|3,0,1]=4 26 B15R2.180125 CN(\N=C\1/CC2C(C1(C)CC2)(C)C)C Amb10069716 [0,0,0,0,0,0|3,0,1]=4 27 B14R2.25016 CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2Cl Amb24519805 [1,0,0,0,0,0|1,0,0]=2 28 B14R2.27073 CC1(C)C2CC(CC=C)C1(C)CC2 Amb25288361 [1,0,0,0,0,0|1,0,1]=3 29 B14R2.27073 CC1(C)C2CC(CCO)C1(C)CC2 Amb24705803 [1,0,0,0,0,0|1,0,2]=4 30 B14R2.27073 CC1(C)C2CC(N=C=O)C1(C)CC2 Amb25815731 [1,0,0,0,0,0|1,0,1]=3 31 B14R2.27073 CC1(C)C2CC(NCC)C1(O)CC2 Amb25276212 [1,0,0,0,0,0|2,0,1]=4 32 B14R2.27073 CC1(C)C2CC(NCC)[C@]1(C)CC2 Amb25724712 [1,0,0,0,0,0|1,0,1]=3 33 B14R2.27073 CC1(C)C2CC(OC=C)C1(C)CC2 Amb24554061 [1,0,0,0,0,0|0,0,1]=2 34 B14R2.27073 CC1(C)C2CC(OC=O)C1(C)CC2 Amb22729407 [1,0,0,0,0,0|0,0,0]=1 35 B14R2.27073 CC1(C)C2CC(OCCl)C1(C)CC2 Amb25696702 [1,0,0,0,0,0|1,0,1]=3 36 B14R2.27073 CC1(C)C2CCC1(C)C(=C2)NC=O Amb25104237 [1,0,0,0,0,0|1,0,2]=4 37 B14R2.27073 CC1(C)[C@@H]2C[C@@H](NCC)[C@@]1(C)CC2 Amb25325923 [1,0,0,0,0,0|1,0,1]=3 38 B14R2.27073 CC1(C)[C@@H]2C[C@H](NCC)[C@@]1(C)CC2 Amb24653782 [1,0,0,0,0,0|1,0,1]=3 39 B14R2.27073 CC1(C)[C@@H]2C[C@H](NCC)[C@@]1(O)CC2 Amb25179163 [1,0,0,0,0,0|2,0,1]=4 40 B14R2.27073 CC1(C)[C@H]2CC(CC=C)[C@]1(C)CC2 Amb24618149 [1,0,0,0,0,0|1,0,1]=3 41 B14R2.27073 CC1(C)[C@H]2C[C@H](NCC)[C@]1(C)CC2 Amb24512219 [1,0,0,0,0,0|1,0,1]=3 42 B14R2.36579 CC1(C)[C@@H]2CC[C@H]1CC2=CC(O)=O Amb25209976 [1,0,0,0,0,0|2,0,1]=4 43 B16R2.126505 CC(=O)OC1CC2C(C1(C)CC2=O)(C)C Amb2537023 [0,1,0,0,0,0|0,0,1]=2 44 B16R2.457032 C=CC(=O)OC1CC2C(C1(C)CC2)(C)C Amb2404901 [0,1,0,0,0,0|0,0,1]=2 45 B16R2.457032 CC1(C)C2CC(OC(=O)C#C)C1(C)CC2 Amb24688358 [0,1,0,0,0,0|0,0,1]=2 46 B16R2.457032 CC1(C)C2CC(OC(=O)CBr)C1(C)CC2 Amb25787512 [0,1,0,0,0,0|0,0,0]=1 47 B16R2.457032 CC1(C)C2CC(OC(=O)CC)C1(C)CC2 Amb22731075 [0,1,0,0,0,0|0,0,0]=1 48 B16R2.457032 CC1(C)C2CC(OC(=O)CCl)C1(C)CC2 Amb22005100 [0,1,0,0,0,0|0,0,0]=1 49 B16R2.457032 CC1(C)C2CC[C@]1(C)C(C2)OC(=O)CCl Amb17872647 [0,1,0,0,0,0|0,0,0]=1 50 B16R2.457032 CC1(C)[C@@H]2C[C@H](OC(=O)C=C)[C@@]1(C)CC2 Amb22748855 [0,1,0,0,0,0|0,0,1]=2 51 B16R2.457032 ClCC(=O)NC1CC2C(C1(C)CC2)(C)C Amb1154585 [0,1,0,0,0,0|1,0,0]=2 52 B16R2.549915 CC1(C)C2CC(C(N)C(O)=O)C1(C)CC2 Amb23443999 [0,1,0,0,0,0|2,0,0]=3 53 B16R2.634185 CC1(C)C2CC(NS(=O)(=O)Cl)C1(C)CC2 Amb24624728 [0,1,0,0,0,0|3,0,0]=4 54 B16R2.634185 CC1(C)C2CC(OS(C)(=O)=O)C1(C)CC2 Amb24522385 [0,1,0,0,0,0|1,0,0]=2 55 B14R1.676 CC(=O)NC1CC(CCC1=C)C(C)C Amb24470769 [0,0,1,0,0,0|1,0,2]=4 56 B14R1.676 CC(=O)N[C@@H]1C[C@@H](CCC1=C)C(C)C Amb24548892 [0,0,1,0,0,0|1,0,2]=4 57 B14R1.676 CC(=O)OC1C[C@@H](CC[C@H]1C)C(O)=O Amb25204722 [0,0,1,0,0,0|2,0,1]=4 58 B14R1.676 CC(C)C1CC(CC(C)=C)C(O)CC1 Amb19065361 [0,0,1,0,0,0|3,0,0]=4 59 B14R1.676 CC(C)C1CC(CC(O)=O)C(C)CC1 Amb25067164 [0,0,1,0,0,0|2,0,0]=3 60 B14R1.676 CC(C)C1CC(NC(N)=O)C(C)CC1 Amb25815015 [0,0,1,0,0,0|2,0,0]=3 61 B14R1.676 CC(C)C1CC(OC(C)=O)C(C)CC1 Amb24079995 [0,0,1,0,0,0|0,0,0]=1 62 B14R1.676 CC(C)[C@@H]1C[C@@H](NC(C)=O)[C@H](C)CC1 Amb25233072 [0,0,1,0,0,0|1,0,0]=2 63 B14R1.676 CC(C)[C@@H]1C[C@H](NC(C)=O)C(C)CC1 Amb25258448 [0,0,1,0,0,0|1,0,0]=2 64 B14R1.676 CC1=CCC(CC1OC(N)=O)C(C)C Amb24624023 [0,0,1,0,0,0|1,0,2]=4 65 B14R1.676 CC1=CC[C@H](C[C@H]1OC(N)=O)C(C)C Amb24596411 [0,0,1,0,0,0|1,0,2]=4 66 B14R1.676 C[C@@H]1CC[C@H](C[C@H]1OC(C)=O)C(C)=C Amb18511840 [0,0,1,0,0,0|0,0,2]=3 67 B14R1.9551 CC1CCC(C\C=C\C(O)=O)C1(C)C Amb24565717 [0,0,1,0,0,0|2,0,1]=4 68 B14R1.22969 CC1(C)C(C)CCC1(C)\C=C\C(O)=O Amb24415388 [0,0,1,0,0,0|2,0,1]=4 69 B14R1.22969 CC1(C)[C@@H](C)CC[C@@]1(C)CCC(O)=O Amb23452549 [0,0,1,0,0,0|2,0,0]=3 70 B14R1.22969 CC1CCC(C)(COC(C)=O)C1(C)C Amb17843481 [0,0,1,0,0,0|0,0,0]=1 71 B16R3.440730 CC1(C)C2CC3NC(=O)OCC13CC2 Amb25165822 [0,0,0,1,0,0|2,0,0]=3 72 B16R3.471042 CC1(C)C2CCC1(C)C3NC(=N)NC32 Amb24526982 [0,0,0,1,0,0|3,0,0]=4 73 B16R3.471042 CC1(C)C2CCC1(C)C3NC(=O)CC32 Amb24674220 [0,0,0,1,0,0|1,0,0]=2 74 B16R3.471042 CC1(C)C2CCC1(C)C3NC(=O)NC23 Amb17777954 [0,0,0,1,0,0|2,0,0]=3 75 B16R3.471042 CC1(C)C2CCC1(C)C3NC(=O)NC32 Amb24402196 [0,0,0,1,0,0|2,0,0]=3 76 B16R3.471042 CC1(C)C2CCC1(C)C3NC(=S)OC32 Amb25166100 [0,0,0,1,0,0|2,0,1]=4 77 B16R3.471042 CC1(C)C2CCC1(C)C3OC(O)CC32 Amb24718561 [0,0,0,1,0,0|0,0,2]=3 78 B16R3.471042 CC1(C)C2CCC1(C)C=3NC(=O)CC32 Amb25709677 [0,0,0,1,0,0|1,0,2]=4 79 B16R3.471042 CC1(C)[C@@H]2CCC1(C)[C@@H]3O[C@H](O)C[C@@H]32 Amb24694223 [0,0,0,1,0,0|0,0,2]=3 80 B16R3.471042 CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]3OC(=O)N[C@@H]32 Amb25339635 [0,0,0,1,0,0|1,0,0]=2 81 B16R3.471042 CC1(C)[C@@H]2CC[C@@]1(C)[C@H]3O[C@H](O)C[C@H]32 Amb25175412 [0,0,0,1,0,0|0,0,2]=3 82 B16R3.471042 CC1(C)[C@H]2CC[C@]1(C)[C@H]3OC(=O)N[C@H]32 Amb25208984 [0,0,0,1,0,0|1,0,0]=2 83 B16R3.510620 CC1(C)C2CC3NS(=O)(=O)C[C@]13CC2 Amb25779857 [0,0,0,1,0,0|3,0,0]=4 84 B16R3.510620 CC1(C)C2CC3OS(=O)(=O)CC13CC2 Amb24424024 [0,0,0,1,0,0|2,0,0]=3 85 B16R3.510620 CC1(C)C2CC[C@@]13CS(=O)(=O)N[C@H]3C2 Amb17935714 [0,0,0,1,0,0|3,0,0]=4 86 B16R3.510620 CC1(C)C2C[C@H]3OS(=O)(=O)CC13CC2 Amb25278456 [0,0,0,1,0,0|2,0,0]=3 87 B16R3.510620 CC1(C)[C@@H]2C[C@H]3NS(=O)(=O)CC13CC2 Amb25348867 [0,0,0,1,0,0|3,0,0]=4 88 B16R3.510620 CC1(C)[C@@H]2C[C@H]3NS(=O)(=O)C[C@]13CC2 Amb25365432 [0,0,0,1,0,0|3,0,0]=4 89 B16R3.510620 CC1(C)[C@H]2C[C@@H]3NS(=O)(=O)CC13CC2 Amb25257619 [0,0,0,1,0,0|3,0,0]=4 90 B16R3.510620 CC1(C)[C@H]2C[C@@H]3NS(=O)(=O)C[C@]13CC2 Amb24566715 [0,0,0,1,0,0|3,0,0]=4 91 B16R3.510620 CC1(C)[C@H]2C[C@H]3NS(=O)(=O)C[C@@]13CC2 Amb20242421 [0,0,0,1,0,0|3,0,0]=4 92 B16R3.510620 CC1(C)[C@H]2C[C@H]3NS(=O)(=O)C[C@]13CC2 Amb22233128 [0,0,0,1,0,0|3,0,0]=4 93 B16R3.510620 [C@@H]12CCC3(CS(=O)(=O)N[C@@H]3C1)C2(C)C Amb17935715 [0,0,0,1,0,0|3,0,0]=4 94 B16R3.1016696 CC1(C)C2CC(NC3CC3)[C@@]1(C)CC2 Amb24475588 [0,0,0,1,0,0|2,0,1]=4 95 B16R3.1016696 CC1(C)C2CC(NC3CC3)[C@]1(C)CC2 Amb25130334 [0,0,0,1,0,0|2,0,1]=4 96 B16R3.1016696 CC1(C)C2CCC1(C)C(C2)NC3CC3 Amb1112404 [0,0,0,1,0,0|2,0,1]=4 97 B16R3.1016696 CC1(C)[C@@H]2CC(NC3CC3)[C@@]1(C)CC2 Amb25359202 [0,0,0,1,0,0|2,0,1]=4 98 B14R2.62291 CC1(C)C2CC(C(C)=O)C1(C)CC2 Amb25752261 [0,0,0,0,1,0|0,0,0]=1 99 B14R2.62291 CC1(C)C2CC(C(C)N)C1(C)CC2 Amb23443956 [0,0,0,0,1,0|1,0,1]=3 100 B14R2.62291 CC1(C)C2CC(C(N)=O)[C@]1(C)CC2 Amb22224861 [0,0,0,0,1,0|1,0,0]=2 101 B14R2.62291 CC1(C)C2CC(C(O)=O)C1(C)CC2 Amb21953658 [0,0,0,0,1,0|1,0,0]=2 102 B14R2.62291 CC1(C)C2CC(C(O)=O)[C@]1(C)CC2 Amb22224859 [0,0,0,0,1,0|1,0,0]=2 103 B14R2.62291 CC1(C)C2CC(N(C)C)C1(C)CC2 Amb24733510 [0,0,0,0,1,0|2,0,0]=3 104 B14R2.62291 CC1(C)C2CCC1(C)C(=C2)C(C)=O Amb25263666 [0,0,0,0,1,0|0,0,2]=3 105 B14R2.62291 CC1(C)C2CCC1(C)C(=C2)C(N)=O Amb25224933 [0,0,0,0,1,0|1,0,2]=4 106 B14R2.62291 CC1(C)[C@@H]2CC(C(O)=O)[C@@]1(C)CC2 Amb25175129 [0,0,0,0,1,0|1,0,0]=2 107 B14R2.62291 CC1(C)[C@H]2CC(C(C)=O)[C@]1(C)CC2 Amb24514874 [0,0,0,0,1,0|0,0,0]=1 108 B14R2.62291 CC1(C)[C@H]2CC(C(O)=O)[C@]1(C)CC2 Amb24652380 [0,0,0,0,1,0|1,0,0]=2 109 B14R2.62291 CC1(C)[C@H]2C[C@@H](C(N)=O)[C@@]1(C)CC2 Amb25273997 [0,0,0,0,1,0|1,0,0]=2 110 B14R2.62291 CC1(C)[C@H]2C[C@@H](C(O)=O)[C@]1(C)CC2 Amb25173191 [0,0,0,0,1,0|1,0,0]=2 111 B14R2.62291 CC1(C)[C@H]2C[C@H](C(N)=O)[C@]1(C)CC2 Amb24558196 [0,0,0,0,1,0|1,0,0]=2 112 B16R2.402079 CC1(C)C2CC(NCC(C)N)C1(C)CC2 Amb25389868 [0,0,0,0,0,1|2,0,1]=4 113 B16R2.402079 CC1(C)C2CC(OCC(=C)Br)C1(C)CC2 Amb24706317 [0,0,0,0,0,1|1,0,1]=3 114 B16R2.402079 CC1(C)C2CC(OCC(O)=O)C1(C)CC2 Amb24338174 [0,0,0,0,0,1|1,0,0]=2 115 B16R2.402079 CC1(C)C2C\C(=N/OC(C)=O)\C1(C)CC2 Amb22007801 [0,0,0,0,0,1|0,0,1]=2 116 B16R2.402079 NC(=O)CNC1CC2C(C1(C)CC2)(C)C Amb1113614 [0,0,0,0,0,1|2,0,0]=3 117 B16R2.402079 NC(=O)N\N=C\1/CC2C(C1(C)CC2)(C)C Amb1014548 [0,0,0,0,0,1|2,0,1]=4 118 B13R1.97 CC1CCC(CN1CC(C)=O)CC Amb24661574 [1,0,1,0,0,0|2,0,0]=4 119 B13R1.97 CNC1CC(OC(C)=O)C(Cl)CC1 Amb24682828 [1,0,1,0,0,0|2,0,0]=4 120 B13R1.97 C[C@H]1CC[C@H](CN1CC(C)=O)CC Amb24383324 [1,0,1,0,0,0|2,0,0]=4 121 B13R1.354 CC(C)C1CC(N=C=O)C(C)CC1 Amb25800031 [1,0,1,0,0,0|1,0,1]=4 122 B13R1.354 CC(C)C1CC(NC=O)C(C)CC1 Amb25233005 [1,0,1,0,0,0|1,0,0]=3 123 B13R1.354 CC(C)C1CC(OCC)C(N)CC1 Amb19069736 [1,0,1,0,0,0|1,0,1]=4 124 B13R1.354 CC(C)C1CC(OCC)C(O)CC1 Amb18327248 [1,0,1,0,0,0|1,0,1]=4 125 B13R1.354 CC(C)[C@@H]1C[C@H](N=C=O)[C@@H](C)CC1 Amb24587300 [1,0,1,0,0,0|1,0,1]=4 126 B13R1.587 CC(C)C1CC(CC(O)=O)CCC1 Amb25090134 [1,0,1,0,0,0|2,0,0]=4 127 B13R1.589 CC(=O)N[C@H]1CCCC[C@@H]1N(C)C Amb24681173 [1,0,1,0,0,0|2,0,0]=4 128 B13R1.589 CC(=O)OC1OCCCC1N(C)C Amb25809401 [1,0,1,0,0,0|2,0,0]=4 129 B13R1.589 CC(C)C1CCCCC1NC(C)=N Amb25721765 [1,0,1,0,0,0|2,0,0]=4 130 B13R1.589 CC(C)C1CCCCC1OC(C)=O Amb25188505 [1,0,1,0,0,0|0,0,0]=2 131 B13R1.589 CC(C)N1CCCCC1CC(C)=O Amb25062751 [1,0,1,0,0,0|2,0,0]=4 132 B13R1.3118 CSC1(C)CCCCC1NC(C)=O Amb24568925 [1,0,1,0,0,0|2,0,0]=4 133 B13R1.1013 CC(=O)NCCN1CCCC1(C)C Amb25333262 [1,0,1,0,0,0|2,0,0]=4 134 B13R1.5901 CC1CCC(CCC(N)=O)C1(C)C Amb25124699 [1,0,1,0,0,0|2,0,0]=4 135 B13R1.5901 CC1CCC(CCC(O)=O)C1(C)C Amb25725078 [1,0,1,0,0,0|2,0,0]=4 136 B13R1.5901 CC1CCC(CNC(N)=O)C1(C)C Amb25189687 [1,0,1,0,0,0|2,0,0]=4 137 B13R2.5603 CC(=O)NC1CC2CC1(C)CC2 Amb24560939 [2,0,0,0,0,0|1,0,0]=3 138 B13R2.7011 CC(=O)NC1CC2CCC1C2Cl Amb25858290 [2,0,0,0,0,0|2,0,0]=4 139 B13R2.7011 CC(=O)NC1CC2CCC1C2O Amb24409660 [2,0,0,0,0,0|2,0,0]=4 140 B13R2.7011 CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[C@H]2Cl Amb25319807 [2,0,0,0,0,0|2,0,0]=4 141 B13R2.7011 CC(=O)O[C@@H]1C[C@@H]2CC[C@H]1[C@@H]2Cl Amb24588729 [2,0,0,0,0,0|1,0,0]=3 142 B13R2.7011 CC(=O)O[C@@H]1C[C@@H]2CC[C@H]1[C@H]2Cl Amb25172984 [2,0,0,0,0,0|1,0,0]=3 143 B13R2.7011 CC(=O)O[C@@H]1C[C@H]2CC[C@H]1C2=O Amb24647702 [2,0,0,0,0,0|1,0,1]=4 144 B13R2.7011 CC(=O)O[C@H]1C[C@H]2CC[C@H]1C2O Amb25346259 [2,0,0,0,0,0|1,0,0]=3 145 B13R2.4506 CC1(C)C2CCC1CC2=CC=O Amb25723790 [2,0,0,0,0,0|1,0,1]=4 146 B13R2.4506 CC1(C)[C@@H]/2CC[C@H]1C\C2=C/C=O Amb24536545 [2,0,0,0,0,0|1,0,1]=4 147 B13R2.4506 CC1(C)[C@@H]2CC[C@H]1C[C@@H]2CC=O Amb24513055 [2,0,0,0,0,0|1,0,0]=3 148 B13R2.4506 CC1(C)[C@@H]2CC[C@H]1C[C@H]2CC=O Amb25195950 [2,0,0,0,0,0|1,0,0]=3 149 B13R2.6173 CC1(C)C2CC(CCl)C1(C)CC2 Amb25690361 [2,0,0,0,0,0|1,0,1]=4 150 B13R2.6173 CC1(C)C2CC(CO)C1(C)CC2 Amb25136318 [2,0,0,0,0,0|0,0,2]=4 151 B13R2.6173 CC1(C)C2CC(NO)C1(C)CC2 Amb25793934 [2,0,0,0,0,0|1,0,1]=4 152 B13R2.6173 CC1(C)C2CC(OC)C1(C)CC2 Amb22348091 [2,0,0,0,0,0|0,0,0]=2 153 B13R2.6173 CC1(C)C2CCC1(C)C(C=O)=C2 Amb18646126 [2,0,0,0,0,0|0,0,2]=4 154 B13R2.6173 CC1(C)[C@@H]2CC(NC)[C@@]1(C)CC2 Amb24340009 [2,0,0,0,0,0|1,0,0]=3 155 B13R2.6173 CC1(C)[C@@H]2CC(NN)[C@@]1(C)CC2 Amb25324273 [2,0,0,0,0,0|2,0,0]=4 156 B13R2.6173 CC1(C)[C@@H]2C[C@@H](CO)[C@@]1(C)CC2 Amb24543996 [2,0,0,0,0,0|0,0,2]=4 157 B13R2.6173 CC1(C)[C@@H]2C[C@H](CO)[C@@]1(C)CC2 Amb24620826 [2,0,0,0,0,0|0,0,2]=4 158 B13R2.6173 CC1(C)[C@H]2CC(CO)[C@]1(C)CC2 Amb25266740 [2,0,0,0,0,0|0,0,2]=4 159 B13R2.6173 CC1(C)[C@H]2C[C@@H](NC)[C@]1(C)CC2 Amb24744669 [2,0,0,0,0,0|1,0,0]=3 160 B13R2.6173 CC1(C)[C@H]2C[C@H](C=O)[C@]1(C)CC2 Amb24656039 [2,0,0,0,0,0|0,0,0]=2 161 B13R2.6173 CC1(C)[C@H]2C[C@H](CO)[C@]1(C)CC2 Amb24540515 [2,0,0,0,0,0|0,0,2]=4 162 B13R2.6173 CC12CCC(C1(C)C)CC2[N+]#[C-] Amb2235946 [2,0,0,0,0,0|1,0,1]=4 163 B13R2.6173 CNC1CC2C(C1(C)CC2)(C)C Amb1121338 [2,0,0,0,0,0|1,0,0]=3 164 B15R2.57648 CC1(C)[C@@H]2CC(NC=O)[C@]1(CC2)CC Amb24656104 [1,1,0,0,0,0|1,0,0]=3 165 B15R2.77429 CC1(C)C2CC(CCCO)C1(C)CC2 Amb25823053 [1,1,0,0,0,0|1,0,1]=4 166 B15R2.77429 CC1(C)C2CC(NCC=C)C1(C)CC2 Amb19079865 [1,1,0,0,0,0|1,0,1]=4 167 B15R2.77429 CC1(C)C2CC(NCCC)[C@@]1(C)CC2 Amb24354942 [1,1,0,0,0,0|1,0,1]=4 168 B15R2.77429 CC1(C)C2CC(NCCC)[C@]1(C)CC2 Amb25725310 [1,1,0,0,0,0|1,0,1]=4 169 B15R2.77429 CC1(C)C2CC(NCCN)C1(C)CC2 Amb18318137 [1,1,0,0,0,0|1,0,1]=4 170 B15R2.77429 CC1(C)C2CC(NCCO)C1(C)CC2 Amb19082956 [1,1,0,0,0,0|1,0,1]=4 171 B15R2.77429 CC1(C)C2CC(NCCS)C1(C)CC2 Amb25709661 [1,1,0,0,0,0|1,0,1]=4 172 B15R2.77429 CC1(C)C2CC(NOCC)C1(C)CC2 Amb25129347 [1,1,0,0,0,0|0,0,1]=3 173 B15R2.77429 CC1(C)C2CC(OCC#N)C1(C)CC2 Amb25798088 [1,1,0,0,0,0|0,0,2]=4 174 B15R2.77429 CC1(C)C2CC(OCC=O)C1(C)CC2 Amb25040777 [1,1,0,0,0,0|0,0,0]=2 175 B15R2.77429 CC1(C)C2CC(OCCS)C1(C)CC2 Amb25046471 [1,1,0,0,0,0|0,0,1]=3 176 B15R2.77429 CC1(C)C2CC(SCCO)C1(C)CC2 Amb25049441 [1,1,0,0,0,0|0,1,1]=4 177 B15R2.77429 CC1(C)[C@@H]2CC(NCC=C)[C@@]1(C)CC2 Amb25031952 [1,1,0,0,0,0|1,0,1]=4 178 B15R2.77429 CC1(C)[C@@H]2CC(NCCF)[C@@]1(C)CC2 Amb25822904 [1,1,0,0,0,0|1,0,1]=4 179 B15R2.77429 CC1(C)[C@H]2C[C@H](NCCC)[C@]1(C)CC2 Amb24550064 [1,1,0,0,0,0|1,0,1]=4 180 B15R2.77429 CC1(C)[C@H]2C[C@H](OCCO)[C@]1(C)CC2 Amb24515403 [1,1,0,0,0,0|0,0,1]=3 181 B15R2.132059 C=CCC1(O)CC2C(C1(C)CC2)(C)C Amb1071123 [1,1,0,0,0,0|1,0,1]=4 182 B15R2.132059 CC1(C)C2CC(O)(CC=O)C1(C)CC2 Amb24588889 [1,1,0,0,0,0|1,0,0]=3 183 B15R2.13370 CC(=O)OC1CC2CC(O)C1C2(C)C Amb24672654 [1,1,0,0,0,0|0,0,0]=2 184 B15R2.68082 CC1(C)C2CCC1(C)CC2CC(O)=O Amb23589662 [1,1,0,0,0,0|2,0,0]=4 185 B15R2.68082 CC1(C)C2CCC1(C)CC2NC(C)=O Amb25165799 [1,1,0,0,0,0|1,0,0]=3 186 B15R2.68082 CC1(C)[C@@H]2CC[C@@]1(C)CC2CC(O)=O Amb25176042 [1,1,0,0,0,0|2,0,0]=4 187 B15R2.68082 CC1(C)[C@@H]2CC[C@]1(C)C[C@H]2CC(O)=O Amb25176105 [1,1,0,0,0,0|2,0,0]=4 188 B15R2.68082 CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(C)=O Amb24513112 [1,1,0,0,0,0|1,0,0]=3 189 B15R2.69794 CC1(C)C2CCC1CC2(O)CC(O)=O Amb25764369 [1,1,0,0,0,0|2,0,0]=4 190 B15R2.61158 CC1(C)C2CC(C(O)=O)C1(C)CC2=O Amb24498069 [0,1,0,0,1,0|1,0,1]=4 191 B15R2.95757 CC1(C)C2CC(C(O)=O)C1(C)C(=O)C2 Amb22487749 [0,1,0,0,1,0|1,0,1]=4 192 B15R2.146956 CC1(C)C2CCC1(C)[C@H]([C@@H]2O)N(C)C Amb24586325 [0,1,0,0,1,0|2,0,0]=4 193 B15R2.146956 CN(C1C(O)C2C(C1(C)CC2)(C)C)C Amb2237060 [0,1,0,0,1,0|2,0,0]=4 194 B15R2.160558 CC1(C)C2CC(Cl)(C(O)=O)C1(C)CC2 Amb24757657 [0,1,0,0,1,0|1,0,0]=3 195 B15R2.160558 CC1(C)C2CC(O)(C(C)C)C1(C)CC2 Amb25779334 [0,1,0,0,1,0|1,0,1]=4 196 B15R2.160558 CC1(C)[C@@H]2C[C@@](N)(C(O)=O)[C@@]1(C)CC2 Amb19375075 [0,1,0,0,1,0|1,0,0]=3 197 B15R2.160558 CC1(C)[C@H]2CC(N)(C(O)=O)[C@]1(C)CC2 Amb25339422 [0,1,0,0,1,0|1,0,0]=3 198 B15R2.160558 CC1(C)[C@H]2C[C@](O)(C(C)O)[C@]1(C)CC2 Amb24675566 [0,1,0,0,1,0|0,0,2]=4 199 B15R2.160558 OC(=O)[C@@]1(N)C[C@@H]2C([C@@]1(C)CC2)(C)C Amb2372052 [0,1,0,0,1,0|1,0,0]=3 200 B15R2.243545 CC1(C)C2(Cl)CC(C(O)=O)C1(C)CC2 Amb25166157 [0,1,0,0,1,0|1,0,0]=3 201 B17R2.1096934 COC(=O)N\N=C\1/CC2C(C1(C)CC2)(C)C Amb16756439 [0,1,0,0,0,1|1,0,1]=4 202 B17R2.1096934 ClCC(=O)N\N=C\1/CC2C(C1(C)CC2)(C)C Amb2370472 [0,1,0,0,0,1|1,0,1]=4 203 B17R2.1402471 CC1(C)C2CC(NC(C)C(O)=O)C1(C)CC2 Amb24779270 [0,1,0,0,0,1|2,0,0]=4 204 B17R2.1402471 CC1(C)C2CC(\C=C(/C)\C(O)=O)C1(C)CC2 Amb19516128 [0,1,0,0,0,1|2,0,0]=4 205 B17R2.1676397 CC(=O)OC1CC2C(C1(C)C(=O)C2=O)(C)C Amb2537058 [0,2,0,0,0,0|0,0,2]=4 206 B17R2.1243598 CC1(C)C2CC(NC(=O)COC)C1(C)CC2 Amb21526609 [0,2,0,0,0,0|1,0,0]=3 207 B17R2.1243598 CC1(C)[C@@H]2C[C@@H](OC(=O)CCC)[C@]1(C)CC2 Amb22747681 [0,2,0,0,0,0|0,0,0]=2 208 B15R2.14564 CC(C)C1CCC(C)C2C1C2C(N)=O Amb25228367 [0,0,1,1,0,0|2,0,0]=4 209 B15R2.14564 CC(C)[C@@H]1CC[C@@H](C)C2C1C2C(O)=O Amb24519482 [0,0,1,1,0,0|2,0,0]=4 210 B15R2.48552 CC1C2CC(CC1OC(N)=O)C2(C)C Amb24526655 [0,0,1,1,0,0|1,0,0]=3 211 B15R2.48552 C[C@@H]1[C@H](C[C@@H]2C[C@H]1C2(C)C)NC(C)=O Amb24595835 [0,0,1,1,0,0|1,0,0]=3 212 B15R2.48552 C[C@H]1[C@@H](C[C@@H]2C[C@H]1C2(C)C)NC(C)=O Amb25241399 [0,0,1,1,0,0|1,0,0]=3 213 B15R2.48552 C[C@H]1[C@@H]2C[C@H](C[C@@H]1OC(N)=O)C2(C)C Amb24628985 [0,0,1,1,0,0|1,0,0]=3 214 B15R2.48552 C[C@H]1[C@H]2C[C@@H](C[C@@H]1NC(N)=O)C2(C)C Amb24602409 [0,0,1,1,0,0|2,0,0]=4 215 B15R2.96603 CC(=O)OC1CC2C(CC1=O)C2(C)C Amb24385906 [0,0,1,1,0,0|1,0,1]=4 216 B15R2.142843 CC(=O)O[C@@H]1C[C@@]2(C[C@@H]2C1=C)C(C)C Amb18511839 [0,0,1,1,0,0|0,0,2]=4 217 B15R2.142843 CC(C)[C@@]12C[C@@H]1[C@H](C)[C@H](C2)NC(C)=O Amb24566105 [0,0,1,1,0,0|1,0,0]=3 218 B15R2.161192 CC1(C)C2CCC1(CCC(N)=O)CC2 Amb25697058 [0,0,1,1,0,0|2,0,0]=4 219 B15R3.82186 CC1(C)C2CC3NC(=O)CC13CC2 Amb25825106 [1,0,0,1,0,0|1,0,0]=3 220 B15R3.82186 CC1(C)C2C[C@@H]3NC(=O)CC13CC2 Amb24653528 [1,0,0,1,0,0|1,0,0]=3 221 B15R3.82186 CC1(C)[C@@H]2C[C@H]3OC(=O)N[C@@]13CC2 Amb24561697 [1,0,0,1,0,0|1,0,0]=3 222 B15R3.82186 CC1(C)[C@H]2C[C@H]3NC(=S)C[C@]13CC2 Amb25255442 [1,0,0,1,0,0|1,1,0]=4 223 B15R3.82304 CC1(C)[C@H]2C[C@@H]3C(=O)N[C@H](C2)[C@]13C Amb25243029 [1,0,0,1,0,0|1,0,0]=3 224 B15R3.170446 CC1(C)C2CCC1(C)C3N=CNC32 Amb25244079 [1,0,0,1,0,0|2,0,0]=4 225 B15R3.170446 CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]3N=CN[C@@H]32 Amb24513192 [1,0,0,1,0,0|2,0,0]=4 226 B15R3.228762 CC1(C)C2CC3C(C2)(C(N)=O)C13C Amb25227401 [0,0,0,1,1,0|1,0,0]=3 227 B17R3.3774798 CC1(C)C2CC(OCC3CO3)C1(C)CC2 Amb25742789 [0,0,0,1,0,1|0,0,2]=4 228 B17R3.3774798 CC1(C)C2CC(OC[C@@H]3CO3)C1(C)CC2 Amb24585636 [0,0,0,1,0,1|0,0,2]=4 229 B17R3.3774798 CC1(C)C2CC(OC[C@H]3CO3)C1(C)CC2 Amb25696753 [0,0,0,1,0,1|0,0,2]=4 230 B13R1.13 CC(=O)C1CC(CCC1=O)C(C)C Amb24460183 [0,0,1,0,1,0|1,0,1]=4 231 B13R1.13 CC(C)C1CC(C(C)=CC1)C(C)=O Amb24080489 [0,0,1,0,1,0|0,0,2]=4 232 B13R1.13 CC(C)C1CC(C(C)CC1)C(C)O Amb25191491 [0,0,1,0,1,0|0,0,2]=4 233 B13R1.13 CC(C)C1CC(C(N)CC1)S(C)=O Amb24399709 [0,0,1,0,1,0|2,0,0]=4 234 B13R1.13 CC(C)[C@@H]1C[C@@H]([C@@H](C)CC1)C(O)=O Amb24739563 [0,0,1,0,1,0|1,0,0]=3 235 B13R1.13 CC(C)[C@@H]1C[C@H]([C@@H](C)CC1)C(N)=O Amb25335358 [0,0,1,0,1,0|1,0,0]=3 236 B13R1.13 CC(C)[C@@H]1C[C@H]([C@@H](C)CC1)C(O)=O Amb24710058 [0,0,1,0,1,0|1,0,0]=3 237 B13R1.13 CC(C1NCC(N(C1)C(=O)C)C)C Amb17578353 [0,0,1,0,1,0|2,0,0]=4 238 B13R1.3496 CC(C)C1CCC(C)C1CC(O)=O Amb25363155 [0,0,1,0,1,0|2,0,0]=4 239 B13R1.3496 CC(C)C1CCC(C)C1NC(C)=O Amb25289237 [0,0,1,0,1,0|1,0,0]=3 240 B13R1.3496 CC(C)C1CCC(C)C1NC(N)=O Amb24346983 [0,0,1,0,1,0|2,0,0]=4 241 B13R1.3013 CC1C(CC(CO)C1(C)C)C(O)=O Amb25803616 [0,0,1,0,1,0|2,0,0]=4 242 B13R1.3013 C[C@@H]1[C@H](C[C@H](CO)C1(C)C)C(O)=O Amb24519260 [0,0,1,0,1,0|2,0,0]=4 243 B13R1.10729 CC1(C)C(C)CCC1(C)CC(O)=O Amb25048590 [0,0,1,0,1,0|1,0,0]=3 244 B13R1.10729 CC1(C)C(C)CCC1(C)NC(C)=O Amb25325070 [0,0,1,0,1,0|1,0,0]=3 245 B13R1.10729 CC1(C)[C@@H](C)CC[C@@]1(C)CC(O)=O Amb23452548 [0,0,1,0,1,0|1,0,0]=3 246 B13R1.11087 CC1(CCCC1(C)O)C(C)C(C)=O Amb25046336 [0,0,1,0,1,0|1,0,0]=3 247 B13R2.13983 CC(=O)C1CC2C=CC1C2(C)C Amb25834434 [1,0,0,0,1,0|0,0,2]=4 248 B13R2.13983 CC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2(C)C Amb24512595 [1,0,0,0,1,0|0,0,2]=4 249 B13R2.13983 CC1(C)C2CCC1CC2C(O)=O Amb24429124 [1,0,0,0,1,0|1,0,0]=3 250 B13R2.13983 CC1(C)C2CCC1C[C@@H]2C(O)=O Amb24692690 [1,0,0,0,1,0|1,0,0]=3 251 B13R2.13983 CC1(C)[C@@H]2CC[C@@H]1C[C@@H]2C(O)=O Amb24626630 [1,0,0,0,1,0|1,0,0]=3 252 B13R2.13983 CC1(C)[C@@H]2CC[C@@H]1C[C@H]2C(O)=O Amb25209964 [1,0,0,0,1,0|1,0,0]=3 253 B13R2.23099 CC1(C)[C@@H]2CC[C@]1(C)[C@@H]2C(O)=O Amb25321021 [0,0,0,0,2,0|1,0,0]=3 254 B13R2.23099 CC1(C)[C@@H]2CC[C@]1(C)[C@H]2C(O)=O Amb24692828 [0,0,0,0,2,0|1,0,0]=3 255 B13R2.23099 CC1(C)[C@H]2CC[C@]1(C)[C@@H]2C(O)=O Amb24626609 [0,0,0,0,2,0|1,0,0]=3 256 B15R2.83162 CC1(C)CC2(C)CC1CC2OC(C)=O Amb25747677 [0,0,0,0,1,1|0,0,0]=2 257 B17R2.958165 CC1(C)C2CC(NCCC(O)=O)C1(C)CC2 Amb24779255 [0,0,0,0,0,2|2,0,0]=4