0 B15R3.228782 BrC(Br)C12CC3CC(CC(C3)C1)C2 Amb4020415 [0,0,0,0,0,0|2,0,0]=2 1 B15R3.228782 C12CC3CC(C1)CC(C(=N)N)(C2)C3 Amb17772567 [0,0,0,0,0,0|1,0,1]=2 2 B15R3.228782 C12CC3CC(C1)CC(C(=O)Cl)(C2)C3 Amb17750257 [0,0,0,0,0,0|2,0,1]=3 3 B15R3.228782 C12CC3CC(C1)CC(C(=O)O)(C2)C3 Amb17772554 [0,0,0,0,0,0|2,0,1]=3 4 B15R3.228782 C12CC3CC(C1)CC(C(C)=O)(C2)C3 Amb17771490 [0,0,0,0,0,0|1,0,1]=2 5 B15R3.228782 C12CC3CC(C1)CC(C(C)N)(C2)C3 Amb17938007 [0,0,0,0,0,0|0,0,0]=0 6 B15R3.228782 C12CC3CC(C1)CC([N+](=O)[O-])(C2)C3 Amb17845069 [0,0,0,0,0,0|3,0,0]=3 7 B15R3.228782 C=C(C)C12CC3CC(CC(C3)C1)C2 Amb28075235 [0,0,0,0,0,0|1,0,1]=2 8 B15R3.228782 CC(=O)C12CC3CC(CC(C3)C1)C2 Amb33523580 [0,0,0,0,0,0|1,0,1]=2 9 B15R3.228782 CC(C)C12CC3CC(CC(C3)C1)C2 Amb28132349 [0,0,0,0,0,0|1,0,0]=1 10 B15R3.228782 CC(N)C12CC3CC(CC(C3)C1)C2 Amb13887335 [0,0,0,0,0,0|0,0,0]=0 11 B15R3.228782 CC(N)C12CC3CC(CC(C3)C1)C2 Amb24404900 [0,0,0,0,0,0|0,0,0]=0 12 B15R3.228782 CC(O)C12CC3CC(CC(C3)C1)C2 Amb27246361 [0,0,0,0,0,0|1,0,0]=1 13 B15R3.228782 CC(S)C12CC3CC(CC(C3)C1)C2 Amb7784684 [0,0,0,0,0,0|1,0,0]=1 14 B15R3.228782 CC([NH3+])C12CC3CC(CC(C3)C1)C2 Amb4263536 [0,0,0,0,0,0|0,0,1]=1 15 B15R3.228782 CN(C)C12CC3CC(CC(C3)C1)C2 Amb534233 [0,0,0,0,0,0|2,0,0]=2 16 B15R3.228782 CN(O)C12CC3CC(CC(C3)C1)C2 Amb28131918 [0,0,0,0,0,0|2,0,0]=2 17 B15R3.228782 C[C@@H](N)C12CC3CC(CC(C3)C1)C2 Amb27818071 [0,0,0,0,0,0|0,0,0]=0 18 B15R3.228782 C[C@@H](N)C12CC3CC(CC(C3)C1)C2 Amb31308346 [0,0,0,0,0,0|0,0,0]=0 19 B15R3.228782 C[C@@H](O)C12CC3CC(CC(C3)C1)C2 Amb13952938 [0,0,0,0,0,0|1,0,0]=1 20 B15R3.228782 C[C@H](N)C12CC3CC(CC(C3)C1)C2 Amb13952940 [0,0,0,0,0,0|0,0,0]=0 21 B15R3.228782 C[C@H](N)C12CC3CC(CC(C3)C1)C2 Amb33871862 [0,0,0,0,0,0|0,0,0]=0 22 B15R3.228782 C[C@H](O)C12CC3CC(CC(C3)C1)C2 Amb13952939 [0,0,0,0,0,0|1,0,0]=1 23 B15R3.228782 ClC(Cl)C12CC3CC(CC(C3)C1)C2 Amb17939489 [0,0,0,0,0,0|2,0,0]=2 24 B15R3.228782 ClP(Cl)C12CC3CC(CC(C3)C1)C2 Amb368641 [0,0,0,0,0,0|3,0,0]=3 25 B15R3.228782 N=C(N)C12CC3CC(CC(C3)C1)C2 Amb2691388 [0,0,0,0,0,0|1,0,1]=2 26 B15R3.228782 NC(=O)C12CC3CC(CC(C3)C1)C2 Amb33524019 [0,0,0,0,0,0|1,0,1]=2 27 B15R3.228782 NC(=S)C12CC3CC(CC(C3)C1)C2 Amb26027759 [0,0,0,0,0,0|1,0,1]=2 28 B15R3.228782 NS(=O)C12CC3CC(CC(C3)C1)C2 Amb27971507 [0,0,0,0,0,0|2,0,0]=2 29 B15R3.228782 O=C(Cl)C12CC3CC(CC(C3)C1)C2 Amb534849 [0,0,0,0,0,0|2,0,1]=3 30 B15R3.228782 O=C(O)C12CC3CC(CC(C3)C1)C2 Amb25190167 [0,0,0,0,0,0|2,0,1]=3 31 B15R3.228782 O=C(O)C12CC3CC(CC(C3)N1)C2 Amb24447421 [0,0,0,0,0,0|3,0,1]=4 32 B15R3.228782 O=C(O)C12CC3CC(CC(C3)O1)C2 Amb25362303 [0,0,0,0,0,0|3,0,1]=4 33 B15R3.228782 O=S(Cl)C12CC3CC(CC(C3)C1)C2 Amb27250850 [0,0,0,0,0,0|3,0,0]=3 34 B15R3.228782 O=S([O-])C12CC3CC(CC(C3)C1)C2 Amb32753900 [0,0,0,0,0,0|3,0,0]=3 35 B15R3.228782 O=[N+]([O-])C12CC3CC(CC(C3)C1)C2 Amb6296372 [0,0,0,0,0,0|3,0,0]=3 36 B15R3.228782 OB(O)C12CC3CC(CC(C3)C1)C2 Amb27857861 [0,0,0,0,0,0|3,0,0]=3 37 B14R3.47333 BrCC12CC3CC(CC(C3)C1)C2 Amb13887314 [1,0,0,0,0,0|1,0,0]=2 38 B14R3.47333 BrNC12CC3CC(CC(C3)C1)C2 Amb27172134 [1,0,0,0,0,0|2,0,0]=3 39 B14R3.47333 C#CC12CC3CC(CC(C3)C1)C2 Amb27192707 [1,0,0,0,0,0|0,0,2]=3 40 B14R3.47333 C12CC3CC(C1)CC(C#N)(C2)C3 Amb17938040 [1,0,0,0,0,0|0,0,2]=3 41 B14R3.47333 C12CC3CC(C1)CC(CC)(C2)C3 Amb17938031 [1,0,0,0,0,0|0,0,0]=1 42 B14R3.47333 C12CC3CC(C1)CC(CO)(C2)C3 Amb17937468 [1,0,0,0,0,0|1,0,0]=2 43 B14R3.47333 CCC12CC3CC(CC(C3)C1)C2 Amb16186764 [1,0,0,0,0,0|0,0,0]=1 44 B14R3.47333 CNC12CC3CC(CC(C3)C1)C2 Amb16192746 [1,0,0,0,0,0|1,0,0]=2 45 B14R3.47333 CNC12CC3CC(CC(C3)C1)C2 Amb22279606 [1,0,0,0,0,0|1,0,0]=2 46 B14R3.47333 C[SiH2]C12CC3CC(CC(C3)C1)C2 Amb27473305 [1,0,0,0,0,0|0,1,0]=2 47 B14R3.47333 ClCC12CC3CC(CC(C3)C1)C2 Amb403037 [1,0,0,0,0,0|1,0,0]=2 48 B14R3.47333 ICC12CC3CC(CC(C3)C1)C2 Amb32405848 [1,0,0,0,0,0|1,0,0]=2 49 B14R3.47333 ICC12CC3CC(CC(C3)O1)C2 Amb35747924 [1,0,0,0,0,0|2,0,0]=3 50 B14R3.47333 N#CC12CC3CC(CC(C3)C1)C2 Amb6298357 [1,0,0,0,0,0|0,0,2]=3 51 B14R3.47333 NCC12CC3CC(CC(C3)C1)C2 Amb27619360 [1,0,0,0,0,0|0,0,0]=1 52 B14R3.47333 NCC12CC3CC(CC(C3)C1)C2 Amb6334880 [1,0,0,0,0,0|0,0,0]=1 53 B14R3.47333 NCC12CC3CC(CC(C3)O1)C2 Amb18646800 [1,0,0,0,0,0|1,0,0]=2 54 B14R3.47333 NNC12CC3CC(CC(C3)C1)C2 Amb21961508 [1,0,0,0,0,0|1,0,0]=2 55 B14R3.47333 NNC12CC3CC(CC(C3)C1)C2 Amb22586748 [1,0,0,0,0,0|1,0,0]=2 56 B14R3.47333 NNC12CC3CC(CC(C3)C1)C2 Amb9783914 [1,0,0,0,0,0|1,0,0]=2 57 B14R3.47333 NOC12CC3CC(CC(C3)C1)C2 Amb35825270 [1,0,0,0,0,0|1,0,0]=2 58 B14R3.47333 O=CC12CC3CC(CC(C3)C1)C2 Amb27776545 [1,0,0,0,0,0|1,0,1]=3 59 B14R3.47333 O=NC12CC3CC(CC(C3)C1)C2 Amb27605763 [1,0,0,0,0,0|2,0,0]=3 60 B14R3.47333 OCC12CC3CC(C1)NC(C3)C2 Amb27403720 [1,0,0,0,0,0|2,0,0]=3 61 B14R3.47333 OCC12CC3CC(CC(C3)C1)C2 Amb2592757 [1,0,0,0,0,0|1,0,0]=2 62 B14R3.47333 OCC12CC3CC(CC(C3)N1)C2 Amb26571225 [1,0,0,0,0,0|2,0,0]=3 63 B14R3.47333 OCC12CC3CC(CC(C3)O1)C2 Amb25034650 [1,0,0,0,0,0|2,0,0]=3 64 B14R3.47333 ONC12CC3CC(CC(C3)C1)C2 Amb9783918 [1,0,0,0,0,0|2,0,0]=3 65 B14R3.47333 P#CC12CC3CC(CC(C3)C1)C2 Amb25939483 [1,0,0,0,0,0|0,1,1]=3 66 B14R3.47333 SCC12CC3CC(CC(C3)C1)C2 Amb13887323 [1,0,0,0,0,0|1,0,0]=2 67 B14R3.47333 [C-]#[N+]C12CC3CC(CC(C3)C1)C2 Amb16193448 [1,0,0,0,0,0|1,0,1]=3 68 B14R3.47333 [NH3+]CC12CC3CC(CC(C3)C1)C2 Amb33513045 [1,0,0,0,0,0|0,0,1]=2 69 B16R3.142200 CC(C)C12CC3CC(CC(C3)C1O)C2 Amb27805431 [0,1,0,0,0,0|1,0,0]=2 70 B16R3.142200 CC(N)C12CC3CC(CC(C3)C1O)C2 Amb17615841 [0,1,0,0,0,0|0,0,0]=1 71 B16R3.142200 CC(N)[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2O Amb27215985 [0,1,0,0,0,0|0,0,0]=1 72 B16R3.142200 CC1C2C[C@@H]3C[C@H](C2)C[C@@]1(C(=O)O)C3 Amb28184205 [0,1,0,0,0,0|2,0,1]=4 73 B16R3.142200 NC(=O)C12CC3CC(CC(C3)C1=O)C2 Amb8562786 [0,1,0,0,0,0|1,0,2]=4 74 B16R3.142200 NC(=O)C12CC3CC(CC(C3)C1=S)C2 Amb23603810 [0,1,0,0,0,0|1,0,2]=4 75 B16R3.142200 NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2=O Amb28251260 [0,1,0,0,0,0|1,0,2]=4 76 B16R3.142200 NC1C2CC3CC(C2)CC1(C(=O)O)C3 Amb23603802 [0,1,0,0,0,0|2,0,1]=4 77 B16R3.142200 O=C(O)C12CC3CC(CC(C3)C1Br)C2 Amb22802722 [0,1,0,0,0,0|2,0,1]=4 78 B16R3.142200 O=C(O)C12CC3CC(CC(C3)C1Cl)C2 Amb23562845 [0,1,0,0,0,0|2,0,1]=4 79 B16R3.142200 O=C(O)C12CC3CC(CC(C3)C1I)C2 Amb22802725 [0,1,0,0,0,0|2,0,1]=4 80 B16R3.534761 CC(=O)C12CC3CC(C1)C(=O)C(C3)C2 Amb23603848 [0,1,0,0,0,0|1,0,2]=4 81 B16R3.534761 CC(=O)C12CC3CC(C1)C(O)C(C3)C2 Amb27605407 [0,1,0,0,0,0|1,0,1]=3 82 B16R3.534761 CC(=O)[C@@]12C[C@H]3C[C@@H](C1)C(Cl)[C@H](C3)C2 Amb27422100 [0,1,0,0,0,0|1,0,1]=3 83 B16R3.534761 CC(C)C12CC3CC(C1)C(Cl)C(C3)O2 Amb27799803 [0,1,0,0,0,0|2,0,0]=3 84 B16R3.534761 CC(C)[C@]12CC3C[C@@H](C[C@@H](O1)[C@@H]3Cl)C2 Amb27966697 [0,1,0,0,0,0|2,0,0]=3 85 B16R3.534761 CC(N)C12CC3CC(C1)C(N)C(C3)C2 Amb23603849 [0,1,0,0,0,0|0,0,0]=1 86 B16R3.534761 CC(N)C12CC3CC(C1)C(O)C(C3)C2 Amb17615844 [0,1,0,0,0,0|0,0,0]=1 87 B16R3.534761 CC(N)[C@@]12C[C@H]3C[C@@H](C1)C(O)[C@H](C3)C2 Amb28400205 [0,1,0,0,0,0|0,0,0]=1 88 B16R3.534761 CC(O)C12CC3CC(C1)C(=O)C(C3)C2 Amb27764957 [0,1,0,0,0,0|1,0,1]=3 89 B16R3.534761 CC1C2CC3CC1CC(C(=O)O)(C3)C2 Amb24443052 [0,1,0,0,0,0|2,0,1]=4 90 B16R3.534761 CC1C2C[C@H]3C[C@@H]1C[C@@](C(=O)O)(C2)C3 Amb28384124 [0,1,0,0,0,0|2,0,1]=4 91 B16R3.534761 CN(C)C12CC3C[C@@H](C1)C(O)[C@@H](C3)C2 Amb28345345 [0,1,0,0,0,0|2,0,0]=3 92 B16R3.534761 NC(=O)C12CC3CC(C1)C(=O)C(C3)C2 Amb9783209 [0,1,0,0,0,0|1,0,2]=4 93 B16R3.534761 NC(=O)C12CC3CC(C1)C(N)C(C3)C2 Amb23603844 [0,1,0,0,0,0|1,0,1]=3 94 B16R3.534761 NC(=O)C12CC3CC(C1)C(O)C(C3)C2 Amb23603842 [0,1,0,0,0,0|1,0,1]=3 95 B16R3.534761 NC(=O)[C@@]12C[C@@H]3C[C@H](C[C@H](C1)[C@@H]3F)C2 Amb27795693 [0,1,0,0,0,0|1,0,1]=3 96 B16R3.534761 NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C(=O)[C@H](C3)C2 Amb13887931 [0,1,0,0,0,0|1,0,2]=4 97 B16R3.534761 NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C(N)[C@H](C3)C2 Amb27787699 [0,1,0,0,0,0|1,0,1]=3 98 B16R3.534761 NC1C2CC3CC1CC(C(=O)O)(C3)C2 Amb20414468 [0,1,0,0,0,0|2,0,1]=4 99 B16R3.534761 NC1C2CC3CC1CC(C(=O)O)(C3)C2 Amb22002463 [0,1,0,0,0,0|2,0,1]=4 100 B16R3.534761 N[C@H]1[C@H]2CC3C[C@@H]1C[C@](C(=O)O)(C3)C2 Amb27860412 [0,1,0,0,0,0|2,0,1]=4 101 B16R3.534761 N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](C(=O)O)(C3)C2 Amb28320760 [0,1,0,0,0,0|2,0,1]=4 102 B16R3.534761 O=C(O)C12CC3CC(C1)C(Cl)C(C3)C2 Amb27797282 [0,1,0,0,0,0|2,0,1]=4 103 B16R3.534761 O=C(O)C12CC3CC(C1)C(O)C(C3)C2 Amb18652446 [0,1,0,0,0,0|2,0,1]=4 104 B16R3.534761 O=C(O)[C@@]12C[C@H]3C[C@@H](C1)C(Cl)[C@H](C3)C2 Amb27650657 [0,1,0,0,0,0|2,0,1]=4 105 B16R3.534761 O=C(O)[C@@]12C[C@H]3C[C@@H](C1)C(O)[C@H](C3)C2 Amb25949207 [0,1,0,0,0,0|2,0,1]=4 106 B16R3.534761 O=C(O)[C@@]12C[C@H]3C[C@@H](C1)[C@@H](Cl)[C@H](C3)C2 Amb27844277 [0,1,0,0,0,0|2,0,1]=4 107 B16R3.534761 O=C(O)[C@@]12C[C@H]3C[C@@H](C1)[C@H](Cl)[C@H](C3)C2 Amb27970480 [0,1,0,0,0,0|2,0,1]=4 108 B16R3.682473 C#CC(=O)C12CC3CC(CC(C3)C1)C2 Amb27667992 [0,1,0,0,0,0|1,0,2]=4 109 B16R3.682473 C#CC(Cl)C12CC3CC(CC(C3)C1)C2 Amb27957803 [0,1,0,0,0,0|1,0,1]=3 110 B16R3.682473 C#CC(N)C12CC3CC(CC(C3)C1)C2 Amb27386654 [0,1,0,0,0,0|0,0,1]=2 111 B16R3.682473 C12CC3CC(C1)CC(C(=O)NN)(C2)C3 Amb17938014 [0,1,0,0,0,0|1,0,1]=3 112 B16R3.682473 C12CC3CC(C1)CC(C(=O)OC)(C2)C3 Amb17938030 [0,1,0,0,0,0|1,0,1]=3 113 B16R3.682473 C=CC(Cl)C12CC3CC(CC(C3)C1)C2 Amb27264932 [0,1,0,0,0,0|1,0,1]=3 114 B16R3.682473 C=CC(O)C12CC3CC(CC(C3)C1)C2 Amb27174781 [0,1,0,0,0,0|1,0,1]=3 115 B16R3.682473 C=NC(C)C12CC3CC(CC(C3)C1)C2 Amb27854571 [0,1,0,0,0,0|0,0,1]=2 116 B16R3.682473 CC(CN)C12CC3CC(CC(C3)C1)C2 Amb28285802 [0,1,0,0,0,0|0,0,0]=1 117 B16R3.682473 CC(CO)C12CC3CC(CC(C3)C1)C2 Amb28061667 [0,1,0,0,0,0|1,0,0]=2 118 B16R3.682473 CC(NN)C12CC3CC(CC(C3)C1)C2 Amb6248126 [0,1,0,0,0,0|0,0,0]=1 119 B16R3.682473 CC(NO)C12CC3CC(CC(C3)C1)C2 Amb32405294 [0,1,0,0,0,0|0,0,0]=1 120 B16R3.682473 CCC(=O)C12CC3CC(CC(C3)C1)C2 Amb13887550 [0,1,0,0,0,0|1,0,1]=3 121 B16R3.682473 CCC(N)C12CC3CC(CC(C3)C1)C2 Amb13887548 [0,1,0,0,0,0|0,0,0]=1 122 B16R3.682473 CCC(N)C12CC3CC(CC(C3)C1)C2 Amb13887644 [0,1,0,0,0,0|0,0,0]=1 123 B16R3.682473 CCC(O)C12CC3CC(CC(C3)C1)C2 Amb1148278 [0,1,0,0,0,0|1,0,0]=2 124 B16R3.682473 CC[C@H](O)C12CC3CC(CC(C3)C1)C2 Amb27627476 [0,1,0,0,0,0|1,0,0]=2 125 B16R3.682473 CNC(=O)C12CC3CC(CC(C3)C1)C2 Amb27776912 [0,1,0,0,0,0|1,0,1]=3 126 B16R3.682473 CNC(=S)C12CC3CC(CC(C3)C1)C2 Amb671992 [0,1,0,0,0,0|1,0,1]=3 127 B16R3.682473 CNC(C)C12CC3CC(CC(C3)C1)C2 Amb27637909 [0,1,0,0,0,0|0,0,0]=1 128 B16R3.682473 CNC(C)C12CC3CC(CC(C3)C1)C2 Amb32405293 [0,1,0,0,0,0|0,0,0]=1 129 B16R3.682473 COC(=N)C12CC3CC(CC(C3)C1)C2 Amb9782540 [0,1,0,0,0,0|0,0,2]=3 130 B16R3.682473 COC(=O)C12CC3CC(C1)NC(C3)C2 Amb23439462 [0,1,0,0,0,0|2,0,1]=4 131 B16R3.682473 COC(=O)C12CC3CC(C1)NC(C3)C2 Amb26313131 [0,1,0,0,0,0|2,0,1]=4 132 B16R3.682473 COC(=O)C12CC3CC(CC(C3)C1)C2 Amb1349454 [0,1,0,0,0,0|1,0,1]=3 133 B16R3.682473 COC(=O)C12C[C@H]3C[C@@H](C1)N[C@H](C3)C2 Amb34912724 [0,1,0,0,0,0|2,0,1]=4 134 B16R3.682473 COC(=O)[C@@]12C[C@H]3C[C@@H](C1)N[C@H](C3)C2 Amb28989485 [0,1,0,0,0,0|2,0,1]=4 135 B16R3.682473 COS(=O)C12CC3CC(CC(C3)C1)C2 Amb25181507 [0,1,0,0,0,0|2,0,0]=3 136 B16R3.682473 C[C@@H](CN)C12CC3CC(CC(C3)C1)C2 Amb33731704 [0,1,0,0,0,0|0,0,0]=1 137 B16R3.682473 C[C@@H](CO)C12CC3CC(CC(C3)C1)C2 Amb25859289 [0,1,0,0,0,0|1,0,0]=2 138 B16R3.682473 C[C@H](C=O)C12CC3CC(CC(C3)C1)C2 Amb27627478 [0,1,0,0,0,0|1,0,0]=2 139 B16R3.682473 C[C@H](CN)C12CC3CC(CC(C3)C1)C2 Amb33736880 [0,1,0,0,0,0|0,0,0]=1 140 B16R3.682473 C[C@H](CO)C12CC3CC(CC(C3)C1)C2 Amb25190702 [0,1,0,0,0,0|1,0,0]=2 141 B16R3.682473 C\C(=N/O)C12CC3CC(CC(C3)C1)C2 Amb27783345 [0,1,0,0,0,0|0,0,2]=3 142 B16R3.682473 C\C(=N\O)C12CC3CC(CC(C3)C1)C2 Amb2370687 [0,1,0,0,0,0|0,0,2]=3 143 B16R3.682473 N#CC(N)C12CC3CC(CC(C3)C1)C2 Amb28200944 [0,1,0,0,0,0|0,0,1]=2 144 B16R3.682473 N=C(NN)C12CC3CC(CC(C3)C1)C2 Amb25956345 [0,1,0,0,0,0|1,0,1]=3 145 B16R3.682473 NC(CCl)C12CC3CC(CC(C3)C1)C2 Amb27430351 [0,1,0,0,0,0|0,0,0]=1 146 B16R3.682473 NC(CO)C12CC3CC(CC(C3)C1)C2 Amb27214033 [0,1,0,0,0,0|0,0,0]=1 147 B16R3.682473 NCC(=O)C12CC3CC(CC(C3)C1)C2 Amb19079536 [0,1,0,0,0,0|1,0,1]=3 148 B16R3.682473 NCC(=O)C12CC3CC(CC(C3)C1)C2 Amb32671308 [0,1,0,0,0,0|1,0,1]=3 149 B16R3.682473 NCC(N)C12CC3CC(CC(C3)C1)C2 Amb26552471 [0,1,0,0,0,0|0,0,0]=1 150 B16R3.682473 NCC(O)C12CC3CC(CC(C3)C1)C2 Amb8503459 [0,1,0,0,0,0|1,0,0]=2 151 B16R3.682473 NC[C@@H](O)C12CC3CC(CC(C3)C1)C2 Amb24336988 [0,1,0,0,0,0|1,0,0]=2 152 B16R3.682473 NC[C@H](O)C12CC3CC(CC(C3)C1)C2 Amb27160370 [0,1,0,0,0,0|1,0,0]=2 153 B16R3.682473 NNC(=O)C12CC3CC(CC(C3)C1)C2 Amb24121346 [0,1,0,0,0,0|1,0,1]=3 154 B16R3.682473 NNC(=S)C12CC3CC(CC(C3)C1)C2 Amb27978033 [0,1,0,0,0,0|1,0,1]=3 155 B16R3.682473 N[C@H](CO)C12CC3CC(CC(C3)C1)C2 Amb28246409 [0,1,0,0,0,0|0,0,0]=1 156 B16R3.682473 N\C(=N/O)C12CC3CC(CC(C3)C1)C2 Amb13888201 [0,1,0,0,0,0|1,0,1]=3 157 B16R3.682473 N\C(=N\O)C12CC3CC(CC(C3)C1)C2 Amb2696566 [0,1,0,0,0,0|1,0,1]=3 158 B16R3.682473 N\N=C(/N)C12CC3CC(CC(C3)C1)C2 Amb2696474 [0,1,0,0,0,0|1,0,1]=3 159 B16R3.682473 O=C(CBr)C12CC3CC(CC(C3)C1)C2 Amb3940171 [0,1,0,0,0,0|1,0,1]=3 160 B16R3.682473 O=C(CCl)C12CC3CC(CC(C3)C1)C2 Amb22395282 [0,1,0,0,0,0|1,0,1]=3 161 B16R3.682473 O=C(CF)C12CC3CC(CC(C3)C1)C2 Amb13887598 [0,1,0,0,0,0|1,0,1]=3 162 B16R3.682473 O=C(CO)C12CC3CC(CC(C3)C1)C2 Amb27196322 [0,1,0,0,0,0|1,0,1]=3 163 B16R3.682473 O=C(NO)C12CC3CC(CC(C3)C1)C2 Amb13888199 [0,1,0,0,0,0|1,0,1]=3 164 B16R3.682473 O=CC(Cl)C12CC3CC(CC(C3)C1)C2 Amb28364398 [0,1,0,0,0,0|1,0,1]=3 165 B16R3.682473 O=C[C@@H](F)C12CC3CC(CC(C3)C1)C2 Amb27855078 [0,1,0,0,0,0|1,0,1]=3 166 B16R3.682473 OC(CBr)C12CC3CC(CC(C3)C1)C2 Amb4139984 [0,1,0,0,0,0|1,0,0]=2 167 B16R3.682473 OC(CCl)C12CC3CC(CC(C3)C1)C2 Amb28140739 [0,1,0,0,0,0|1,0,0]=2 168 B16R3.682473 OCC(O)C12CC3CC(CC(C3)C1)C2 Amb28457169 [0,1,0,0,0,0|1,0,0]=2 169 B16R3.682473 O[C@@H](CCl)C12CC3CC(CC(C3)C1)C2 Amb27668020 [0,1,0,0,0,0|1,0,0]=2 170 B16R3.682473 O[C@H](CCl)C12CC3CC(CC(C3)C1)C2 Amb28139171 [0,1,0,0,0,0|1,0,0]=2 171 B16R3.872633 C12CC3CC(C1)CC(C(C)(C)O)(C2)C3 Amb17772565 [0,1,0,0,0,0|1,0,0]=2 172 B16R3.872633 CC(C)(N)C12CC3CC(CC(C3)C1)C2 Amb13887721 [0,1,0,0,0,0|0,0,0]=1 173 B16R3.872633 CC(C)(N)C12CC3CC(CC(C3)C1)C2 Amb22587678 [0,1,0,0,0,0|0,0,0]=1 174 B16R3.872633 CC(C)(O)C12CC3CC(CC(C3)C1)C2 Amb6331985 [0,1,0,0,0,0|1,0,0]=2 175 B16R3.872633 C[N+](C)(C)C12CC3CC(CC(C3)C1)C2 Amb22491700 [0,1,0,0,0,0|2,0,0]=3 176 B16R3.872633 C[Si](C)(C)C12CC3CC(CC(C3)C1)C2 Amb2778970 [0,1,0,0,0,0|1,1,0]=3 177 B16R3.872633 FC(F)(F)C12CC3CC(CC(C3)C1)C2 Amb27810379 [0,1,0,0,0,0|2,0,0]=3 178 B16R3.872633 O=P(O)(O)C12CC3CC(CC(C3)C1)C2 Amb6367693 [0,1,0,0,0,0|3,0,0]=4 179 B16R3.872633 O=S(=O)(Cl)C12CC3CC(CC(C3)C1)C2 Amb25929862 [0,1,0,0,0,0|3,0,0]=4 180 B16R3.872633 O=S(=O)(F)C12CC3CC(CC(C3)C1)C2 Amb32718332 [0,1,0,0,0,0|3,0,0]=4 181 B16R3.872633 O[B-](O)(O)C12CC3CC(CC(C3)C1)C2 Amb27207378 [0,1,0,0,0,0|3,0,0]=4 182 B16R3.1170563 CC(=O)C12CC3CC(CC(N)(C3)C1)C2 Amb27233600 [0,1,0,0,0,0|1,0,1]=3 183 B16R3.1170563 CC(=O)C12CC3CC(CC(O)(C3)C1)C2 Amb9702713 [0,1,0,0,0,0|1,0,1]=3 184 B16R3.1170563 CC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 Amb26657691 [0,1,0,0,0,0|1,0,1]=3 185 B16R3.1170563 CC(=O)[C@]12C[C@H]3C[C@H](C[C@](C)(C3)C1)C2 Amb27859297 [0,1,0,0,0,0|1,0,1]=3 186 B16R3.1170563 CC(Br)C12CC3CC(CC(Br)(C3)C1)C2 Amb4034903 [0,1,0,0,0,0|1,0,0]=2 187 B16R3.1170563 CC(C)C12CC3CC(CC(N)(C3)C1)C2 Amb22587691 [0,1,0,0,0,0|1,0,0]=2 188 B16R3.1170563 CC(C)C12CC3CC(CC(N)(C3)C1)C2 Amb9781825 [0,1,0,0,0,0|1,0,0]=2 189 B16R3.1170563 CC(C)[C@@]12C[C@@H]3C[C@@H](C[C@@](N)(C3)C1)C2 Amb26911603 [0,1,0,0,0,0|1,0,0]=2 190 B16R3.1170563 CC(N)C12CC3CC(CC(F)(C3)C1)C2 Amb33749190 [0,1,0,0,0,0|0,0,0]=1 191 B16R3.1170563 CC(N)C12CC3CC(CC(O)(C3)C1)C2 Amb1150272 [0,1,0,0,0,0|0,0,0]=1 192 B16R3.1170563 CC(N)C12CC3CC(CC(O)(C3)C1)C2 Amb4136294 [0,1,0,0,0,0|0,0,0]=1 193 B16R3.1170563 CC(N)[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 Amb27474700 [0,1,0,0,0,0|0,0,0]=1 194 B16R3.1170563 CC(N)[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 Amb6297565 [0,1,0,0,0,0|0,0,0]=1 195 B16R3.1170563 CC(O)C12CC3CC(CC(C)(C3)C1)C2 Amb27652063 [0,1,0,0,0,0|1,0,0]=2 196 B16R3.1170563 CC12CC3CC(C1)CC(C(=O)O)(C3)C2 Amb33548013 [0,1,0,0,0,0|2,0,1]=4 197 B16R3.1170563 CC12CC3CC(C1)CC(C(N)=O)(C3)C2 Amb2550382 [0,1,0,0,0,0|1,0,1]=3 198 B16R3.1170563 CN(C)C12CC3CC(CC(Br)(C3)C1)C2 Amb16186744 [0,1,0,0,0,0|2,0,0]=3 199 B16R3.1170563 CN(C)C12CC3CC(CC(Cl)(C3)C1)C2 Amb19650906 [0,1,0,0,0,0|2,0,0]=3 200 B16R3.1170563 CN(C)C12CC3CC(CC(O)(C3)C1)C2 Amb9783988 [0,1,0,0,0,0|2,0,0]=3 201 B16R3.1170563 CN(C)C12CC3CC(CC(S)(C3)C1)C2 Amb27445138 [0,1,0,0,0,0|2,0,0]=3 202 B16R3.1170563 CN(C)[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 Amb27844003 [0,1,0,0,0,0|2,0,0]=3 203 B16R3.1170563 C[C@@H](N)C12CC3CC(CC(F)(C3)C1)C2 Amb33744611 [0,1,0,0,0,0|0,0,0]=1 204 B16R3.1170563 C[C@H](N)C12CC3CC(CC(F)(C3)C1)C2 Amb33731437 [0,1,0,0,0,0|0,0,0]=1 205 B16R3.1170563 C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C(N)=O)(C3)C2 Amb28057493 [0,1,0,0,0,0|1,0,1]=3 206 B16R3.1170563 NC(=O)C12CC3CC(CC(Cl)(C3)C1)C2 Amb1089580 [0,1,0,0,0,0|1,0,1]=3 207 B16R3.1170563 NC(=O)C12CC3CC(CC(N)(C3)C1)C2 Amb32723568 [0,1,0,0,0,0|1,0,1]=3 208 B16R3.1170563 NC(=O)C12CC3CC(CC(O)(C3)C1)C2 Amb2099790 [0,1,0,0,0,0|1,0,1]=3 209 B16R3.1170563 NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 Amb24527558 [0,1,0,0,0,0|1,0,1]=3 210 B16R3.1170563 NC12CC3CC(C1)CC(C(=O)O)(C3)C2 Amb6367762 [0,1,0,0,0,0|2,0,1]=4 211 B16R3.1170563 NC12CC3CC(C1)CC(C(=O)O)(C3)C2 Amb6876226 [0,1,0,0,0,0|2,0,1]=4 212 B16R3.1170563 N[C@@]12C[C@@H]3C[C@@H](C[C@@]([N+](=O)[O-])(C3)C1)C2 Amb24556488 [0,1,0,0,0,0|3,0,0]=4 213 B16R3.1170563 N[C@@]12C[C@H]3C[C@@H](C1)C[C@](C(=O)O)(C3)C2 Amb24181667 [0,1,0,0,0,0|2,0,1]=4 214 B16R3.1170563 O=C(Cl)C12CC3CC(CC(Br)(C3)C1)C2 Amb27419238 [0,1,0,0,0,0|2,0,1]=4 215 B16R3.1170563 O=C(Cl)[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 Amb24561256 [0,1,0,0,0,0|2,0,1]=4 216 B16R3.1170563 O=C(O)C12CC3CC(CC(Br)(C3)C1)C2 Amb6364730 [0,1,0,0,0,0|2,0,1]=4 217 B16R3.1170563 O=C(O)C12CC3CC(CC(Cl)(C3)C1)C2 Amb1150392 [0,1,0,0,0,0|2,0,1]=4 218 B16R3.1170563 O=C(O)C12CC3CC(CC(F)(C3)C1)C2 Amb3986838 [0,1,0,0,0,0|2,0,1]=4 219 B16R3.1170563 O=C(O)C12CC3CC(CC(I)(C3)C1)C2 Amb27748063 [0,1,0,0,0,0|2,0,1]=4 220 B16R3.1170563 O=C(O)C12CC3CC(CC(O)(C3)C1)C2 Amb6318061 [0,1,0,0,0,0|2,0,1]=4 221 B16R3.1170563 O=C(O)C12CC3CC(CC(S)(C3)C1)C2 Amb2611006 [0,1,0,0,0,0|2,0,1]=4 222 B16R3.1170563 O=C(O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 Amb27493396 [0,1,0,0,0,0|2,0,1]=4 223 B16R3.1170563 O=C(O)[C@@]12CC3C[C@H](CC(Cl)(C3)C1)C2 Amb28546072 [0,1,0,0,0,0|2,0,1]=4 224 B16R3.1170563 O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 Amb6297945 [0,1,0,0,0,0|2,0,1]=4 225 B16R3.1170563 O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 Amb16193322 [0,1,0,0,0,0|2,0,1]=4 226 B16R3.1170563 O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](F)(C3)C1)C2 Amb25912119 [0,1,0,0,0,0|2,0,1]=4 227 B16R3.1170563 O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](I)(C3)C1)C2 Amb27787692 [0,1,0,0,0,0|2,0,1]=4 228 B16R3.1170563 O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 Amb13888207 [0,1,0,0,0,0|2,0,1]=4 229 B16R3.1170563 O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](S)(C3)C1)C2 Amb27862992 [0,1,0,0,0,0|2,0,1]=4 230 B16R3.1170563 [NH3+]C12CC3CC(C1)CC(C(=O)O)(C3)C2 Amb6543470 [0,1,0,0,0,0|2,0,1]=4 231 B14R2.28304 C=C(C)C1CC2CC(O)CC(C2)C1 Amb27415216 [0,0,1,0,0,0|2,0,1]=4 232 B14R2.28304 C=C(C)[C@H]1C[C@H]2C[C@@H](C[C@@H](O)C2)C1 Amb27980669 [0,0,1,0,0,0|2,0,1]=4 233 B14R2.28304 CC(=O)[C@@H]1C[C@H]2CC(Cl)C[C@H](C2)C1 Amb28241363 [0,0,1,0,0,0|2,0,1]=4 234 B14R2.28304 CC(=O)[C@H]1C[C@H]2C[C@@H](C[C@@H](Cl)C2)C1 Amb27636909 [0,0,1,0,0,0|2,0,1]=4 235 B14R2.28304 CC(=O)[C@H]1C[C@H]2C[C@H](Cl)C[C@H](C2)C1 Amb27427832 [0,0,1,0,0,0|2,0,1]=4 236 B14R2.28304 CN(C)C1CC2CC(N)CC(C2)C1 Amb28076811 [0,0,1,0,0,0|3,0,0]=4 237 B14R2.28304 C[C@H]1C[C@@H]2C[C@H](C(=O)O)C[C@H](C1)C2 Amb28051898 [0,0,1,0,0,0|2,0,1]=4 238 B14R2.28304 NC(=O)C1CC2CC(N)CC(C2)C1 Amb27876231 [0,0,1,0,0,0|2,0,1]=4 239 B16R4.448923 NC(=O)C12CC3CC(C1)C4C(C2)C34 Amb4016299 [0,0,0,1,0,0|1,0,1]=3 240 B16R4.763401 C12CC3CC(C1)CC(C4CO4)(C2)C3 Amb17845078 [0,0,0,1,0,0|1,0,0]=2 241 B16R4.763401 C1C2CC3CC1CC(C4CO4)(C2)C3 Amb9709528 [0,0,0,1,0,0|1,0,0]=2 242 B14R3.36120 CC(=O)C12CC3CC(CC1C3)C2 Amb22734000 [0,0,0,0,1,0|1,0,1]=3 243 B14R3.36120 CC(=O)[C@@]12CC3CC1C[C@@H](C3)C2 Amb27803650 [0,0,0,0,1,0|1,0,1]=3 244 B14R3.36120 CC(=O)[C@@]12CC3CC1C[C@H](C3)C2 Amb26960538 [0,0,0,0,1,0|1,0,1]=3 245 B14R3.36120 CC(O)C12CC3CC(CC1C3)C2 Amb28455096 [0,0,0,0,1,0|1,0,0]=2 246 B14R3.36120 N=C(N)C12CC3CC(CC1C3)C2 Amb27493457 [0,0,0,0,1,0|1,0,1]=3 247 B14R3.36120 NC(=O)C12CC3CC(CC1C3)C2 Amb27760481 [0,0,0,0,1,0|1,0,1]=3 248 B14R3.36120 O=C(Cl)[C@@]12CC3CC1C[C@H](C3)C2 Amb28067782 [0,0,0,0,1,0|2,0,1]=4 249 B14R3.36120 O=C(O)C12CC3CC(CC1C3)C2 Amb6357254 [0,0,0,0,1,0|2,0,1]=4 250 B14R3.36120 O=C(O)C12CC3CC1C[C@H](C3)C2 Amb25975631 [0,0,0,0,1,0|2,0,1]=4 251 B14R3.36120 O=C(O)[C@]12CC3CC1C[C@@H](C3)C2 Amb33523949 [0,0,0,0,1,0|2,0,1]=4 252 B14R3.36120 O=C(O)[C@]12CC3CC1C[C@H](C3)C2 Amb16193032 [0,0,0,0,1,0|2,0,1]=4 253 B16R3.634682 NC(=O)C12CC3CCC(CC(C3)C1)C2 Amb2760562 [0,0,0,0,0,1|1,0,1]=3 254 B16R3.634682 O=C(O)C12CC3CCC(CC(C3)C1)C2 Amb4151560 [0,0,0,0,0,1|2,0,1]=4 255 B16R3.634682 O=[N+]([O-])C12CC3CCC(CC(C3)C1)C2 Amb27810496 [0,0,0,0,0,1|3,0,0]=4 256 B16R3.639101 NC(=O)C12CCC3CC(CC(C3)C1)C2 Amb3467015 [0,0,0,0,0,1|1,0,1]=3 257 B16R3.651134 C12CC3CC(C1)CC(CC(=O)Cl)(C2)C3 Amb17842767 [0,0,0,0,0,1|2,0,1]=4 258 B16R3.651134 C12CC3CC(C1)CC(NC(C)=O)(C2)C3 Amb17845480 [0,0,0,0,0,1|1,0,1]=3 259 B16R3.651134 C=C(C)CC12CC3CC(CC(C3)C1)C2 Amb13887567 [0,0,0,0,0,1|1,0,1]=3 260 B16R3.651134 CC(=N)NC12CC3CC(CC(C3)C1)C2 Amb28062030 [0,0,0,0,0,1|0,0,2]=3 261 B16R3.651134 CC(=O)CC12CC3CC(CC(C3)C1)C2 Amb6296253 [0,0,0,0,0,1|1,0,1]=3 262 B16R3.651134 CC(=O)NC12CC3CC(C1)OC(C3)C2 Amb27173715 [0,0,0,0,0,1|2,0,1]=4 263 B16R3.651134 CC(=O)NC12CC3CC(CC(C3)C1)C2 Amb9172186 [0,0,0,0,0,1|1,0,1]=3 264 B16R3.651134 CC(=O)NC12CC3C[C@H](C1)O[C@H](C3)C2 Amb28208385 [0,0,0,0,0,1|2,0,1]=4 265 B16R3.651134 CC(=S)NC12CC3CC(CC(C3)C1)C2 Amb28251177 [0,0,0,0,0,1|1,0,1]=3 266 B16R3.651134 CC(N)CC12CC3CC(CC(C3)C1)C2 Amb9174170 [0,0,0,0,0,1|0,0,0]=1 267 B16R3.651134 CC(O)CC12CC3CC(CC(C3)C1)C2 Amb27786315 [0,0,0,0,0,1|1,0,0]=2 268 B16R3.651134 C[C@@H](N)CC12CC3CC(CC(C3)C1)C2 Amb33372336 [0,0,0,0,0,1|0,0,0]=1 269 B16R3.651134 C[C@@H](O)CC12CC3CC(CC(C3)C1)C2 Amb28138735 [0,0,0,0,0,1|1,0,0]=2 270 B16R3.651134 C[C@H](N)CC12CC3CC(CC(C3)C1)C2 Amb33372335 [0,0,0,0,0,1|0,0,0]=1 271 B16R3.651134 C[C@H](O)CC12CC3CC(CC(C3)C1)C2 Amb25740638 [0,0,0,0,0,1|1,0,0]=2 272 B16R3.651134 N=C(N)CC12CC3CC(CC(C3)C1)C2 Amb27830309 [0,0,0,0,0,1|1,0,1]=3 273 B16R3.651134 N=C(N)NC12CC3CC(CC(C3)C1)C2 Amb9782539 [0,0,0,0,0,1|1,0,1]=3 274 B16R3.651134 N=C(N)SC12CC3CC(CC(C3)C1)C2 Amb1147697 [0,0,0,0,0,1|1,0,1]=3 275 B16R3.651134 N=C(N)SC12CC3CC(CC(C3)C1)C2 Amb2502576 [0,0,0,0,0,1|1,0,1]=3 276 B16R3.651134 NC(=O)CC12CC3CC(CC(C3)C1)C2 Amb1144347 [0,0,0,0,0,1|1,0,1]=3 277 B16R3.651134 NC(=O)NC12CC3CC(CC(C3)C1)C2 Amb1152647 [0,0,0,0,0,1|1,0,1]=3 278 B16R3.651134 NC(=S)CC12CC3CC(CC(C3)C1)C2 Amb27145749 [0,0,0,0,0,1|1,0,1]=3 279 B16R3.651134 NC(=S)NC12CC3CC(CC(C3)C1)C2 Amb5490771 [0,0,0,0,0,1|1,0,1]=3 280 B16R3.651134 O=C(Cl)CC12CC3CC(CC(C3)C1)C2 Amb534204 [0,0,0,0,0,1|2,0,1]=4 281 B16R3.651134 O=C(Cl)NC12CC3CC(CC(C3)C1)C2 Amb35636924 [0,0,0,0,0,1|2,0,1]=4 282 B16R3.651134 O=C(F)OC12CC3CC(CC(C3)C1)C2 Amb25315146 [0,0,0,0,0,1|2,0,1]=4 283 B16R3.651134 O=C(O)CC12CC3CC(CC(C3)C1)C2 Amb6355850 [0,0,0,0,0,1|2,0,1]=4 284 B16R3.651134 O=C([O-])CC12CC3CC(CC(C3)C1)C2 Amb4437252 [0,0,0,0,0,1|2,0,1]=4 285 B16R3.651134 O=[N+]([O-])NC12CC3CC(CC(C3)C1)C2 Amb24419741 [0,0,0,0,0,1|3,0,0]=4 286 B16R3.651134 O=[N+]([O-])OC12CC3CC(CC(C3)C1)C2 Amb15772502 [0,0,0,0,0,1|3,0,0]=4 287 B13R2.433 CC(=O)C1CC2CCCC(C2)C1 Amb27859446 [1,0,1,0,0,0|1,0,1]=4 288 B13R2.433 NC(=O)C1C[C@H]2CCC[C@H](C1)C2 Amb27250853 [1,0,1,0,0,0|1,0,1]=4 289 B13R2.6450 CC1CC2CC(CO)CC(C1)C2 Amb27826453 [1,0,1,0,0,0|1,0,0]=3 290 B13R2.6450 NC1CC2CC(CO)CC(C1)C2 Amb9782106 [1,0,1,0,0,0|2,0,0]=4 291 B13R2.6450 NC1C[C@@H]2CC(CBr)C[C@H](C1)C2 Amb28123458 [1,0,1,0,0,0|2,0,0]=4 292 B13R2.6450 NC1C[C@@H]2CC(CO)C[C@H](C1)C2 Amb28254495 [1,0,1,0,0,0|2,0,0]=4 293 B13R2.6450 NCC1C[C@@H]2CC(=O)C[C@@H](C1)C2 Amb27658860 [1,0,1,0,0,0|1,0,1]=4 294 B13R2.6450 NC[C@H]1C[C@@H]2C[C@H](C[C@H](O)C2)C1 Amb27880573 [1,0,1,0,0,0|1,0,0]=3 295 B13R2.6450 NC[C@H]1C[C@H]2CC(=O)C[C@@H](C1)C2 Amb27401875 [1,0,1,0,0,0|1,0,1]=4 296 B13R2.6450 NC[C@H]1C[C@H]2C[C@@H](C[C@@H](N)C2)C1 Amb27493381 [1,0,1,0,0,0|1,0,0]=3 297 B13R2.6450 NC[C@H]1C[C@H]2C[C@@H](C[C@H](O)C2)C1 Amb28052015 [1,0,1,0,0,0|1,0,0]=3 298 B13R2.6450 NC[C@H]1C[C@H]2C[C@H](O)C[C@@H](C1)C2 Amb27623236 [1,0,1,0,0,0|1,0,0]=3 299 B13R2.6450 NNC1CC2CC(O)CC(C2)C1 Amb28366513 [1,0,1,0,0,0|2,0,0]=4 300 B13R2.6450 OCC1CC2CC(O)CC(C1)C2 Amb2602440 [1,0,1,0,0,0|2,0,0]=4 301 B13R2.6450 OCC1C[C@H]2CC(O)C[C@@H](C1)C2 Amb27458304 [1,0,1,0,0,0|2,0,0]=4 302 B13R2.7485 COC12CCCC(CC(N)C1)C2 Amb35746999 [1,0,1,0,0,0|2,0,0]=4 303 B13R2.7485 COC12CCCC(CC(N)C1)C2 Amb35747644 [1,0,1,0,0,0|2,0,0]=4 304 B13R2.7485 COC12CCCC(CC(O)C1)C2 Amb28400926 [1,0,1,0,0,0|2,0,0]=4 305 B13R2.7485 CO[C@@]12CCC[C@@H](C[C@H](N)C1)C2 Amb35750946 [1,0,1,0,0,0|2,0,0]=4 306 B13R2.7485 CO[C@@]12CCC[C@@H](C[C@H](N)C1)C2 Amb35752315 [1,0,1,0,0,0|2,0,0]=4 307 B13R2.7485 CO[C@]12CCC[C@H](C[C@@H](N)C1)C2 Amb35750362 [1,0,1,0,0,0|2,0,0]=4 308 B13R2.7485 CO[C@]12CCC[C@H](C[C@@H](N)C1)C2 Amb35752109 [1,0,1,0,0,0|2,0,0]=4 309 B13R2.13727 CC(=O)C12CCCC(CCC1)C2 Amb27177635 [1,0,1,0,0,0|1,0,1]=4 310 B13R3.10150 BrC12CC3CC(CC(C3)C1)C2 Amb6482006 [2,0,0,0,0,0|1,0,0]=3 311 B13R3.10150 C12CC3CC(C1)CC(Br)(C2)C3 Amb17769801 [2,0,0,0,0,0|1,0,0]=3 312 B13R3.10150 C12CC3CC(C1)CC(C)(C2)C3 Amb17938017 [2,0,0,0,0,0|0,0,0]=2 313 B13R3.10150 C12CC3CC(C1)CC(Cl)(C2)C3 Amb17938004 [2,0,0,0,0,0|1,0,0]=3 314 B13R3.10150 C12CC3CC(C1)CC(I)(C2)C3 Amb17938033 [2,0,0,0,0,0|1,0,0]=3 315 B13R3.10150 C12CC3CC(C1)CC(N)(C2)C3 Amb17770070 [2,0,0,0,0,0|0,0,0]=2 316 B13R3.10150 C12CC3CC(C1)CC(N)(C2)C3 Amb17770071 [2,0,0,0,0,0|0,0,0]=2 317 B13R3.10150 C12CC3CC(C1)CC(O)(C2)C3 Amb17844065 [2,0,0,0,0,0|1,0,0]=3 318 B13R3.10150 CC12CC3CC(CC(C3)C1)C2 Amb6374260 [2,0,0,0,0,0|0,0,0]=2 319 B13R3.10150 ClC12CC3CC(CC(C3)C1)C2 Amb1146067 [2,0,0,0,0,0|1,0,0]=3 320 B13R3.10150 FC12CC3CC(C1)NC(C3)C2 Amb27408331 [2,0,0,0,0,0|2,0,0]=4 321 B13R3.10150 FC12CC3CC(CC(C3)C1)C2 Amb28319108 [2,0,0,0,0,0|1,0,0]=3 322 B13R3.10150 FC12CC3CC(CC(C3)N1)C2 Amb28325847 [2,0,0,0,0,0|2,0,0]=4 323 B13R3.10150 F[C@@]12C[C@H]3C[C@@H](C1)N[C@H](C3)C2 Amb27201289 [2,0,0,0,0,0|2,0,0]=4 324 B13R3.10150 IC12CC3CC(CC(C3)C1)C2 Amb3318586 [2,0,0,0,0,0|1,0,0]=3 325 B13R3.10150 NC12CC3CC(CC(C3)C1)C2 Amb10068992 [2,0,0,0,0,0|0,0,0]=2 326 B13R3.10150 NC12CC3CC(CC(C3)C1)C2 Amb16192960 [2,0,0,0,0,0|0,0,0]=2 327 B13R3.10150 NC12CC3CC(CC(C3)C1)C2 Amb24658307 [2,0,0,0,0,0|0,0,0]=2 328 B13R3.10150 NC12CC3CC(CC(C3)C1)C2 Amb4005743 [2,0,0,0,0,0|0,0,0]=2 329 B13R3.10150 NC12CC3CC(CC(C3)N1)C2 Amb27394473 [2,0,0,0,0,0|1,0,0]=3 330 B13R3.10150 OC12CC3CC(C1)OC(C3)C2 Amb22723368 [2,0,0,0,0,0|2,0,0]=4 331 B13R3.10150 OC12CC3CC(CC(C3)C1)C2 Amb13888206 [2,0,0,0,0,0|1,0,0]=3 332 B13R3.10150 OC12CC3CC(CC(C3)N1)C2 Amb22736624 [2,0,0,0,0,0|2,0,0]=4 333 B13R3.10150 O[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)N2 Amb24053184 [2,0,0,0,0,0|2,0,0]=4 334 B13R3.10150 SC12CC3CC(CC(C3)C1)C2 Amb16192707 [2,0,0,0,0,0|1,0,0]=3 335 B13R3.10150 [NH3+]C12CC3CC(CC(C3)C1)C2 Amb28410680 [2,0,0,0,0,0|0,0,1]=3 336 B15R3.162082 BrCCC12CC3CC(CC(C3)C1)C2 Amb6296780 [1,1,0,0,0,0|0,0,0]=2 337 B15R3.162082 C#CCC12CC3CC(CC(C3)C1)C2 Amb33427482 [1,1,0,0,0,0|0,0,1]=3 338 B15R3.162082 C12CC3CC(C1)CC(CC#N)(C2)C3 Amb17938029 [1,1,0,0,0,0|0,0,1]=3 339 B15R3.162082 C12CC3CC(C1)CC(CCBr)(C2)C3 Amb17938016 [1,1,0,0,0,0|0,0,0]=2 340 B15R3.162082 C12CC3CC(C1)CC(CCN)(C2)C3 Amb17938043 [1,1,0,0,0,0|0,0,0]=2 341 B15R3.162082 C12CC3CC(C1)CC(CCO)(C2)C3 Amb17772564 [1,1,0,0,0,0|0,0,0]=2 342 B15R3.162082 C=CCC12CC3CC(CC(C3)C1)C2 Amb27216652 [1,1,0,0,0,0|0,0,1]=3 343 B15R3.162082 CCNC12CC3CC(CC(C3)C1)C2 Amb1151007 [1,1,0,0,0,0|0,0,0]=2 344 B15R3.162082 CCNC12CC3CC(CC(C3)C1)C2 Amb6891772 [1,1,0,0,0,0|0,0,0]=2 345 B15R3.162082 CNCC12CC3CC(CC(C3)C1)C2 Amb13887988 [1,1,0,0,0,0|0,0,0]=2 346 B15R3.162082 CNCC12CC3CC(CC(C3)C1)C2 Amb13887990 [1,1,0,0,0,0|0,0,0]=2 347 B15R3.162082 C\C=C\C12CC3CC(CC(C3)C1)C2 Amb16186746 [1,1,0,0,0,0|0,0,1]=3 348 B15R3.162082 ClCCC12CC3CC(CC(C3)C1)C2 Amb13887564 [1,1,0,0,0,0|0,0,0]=2 349 B15R3.162082 ClCNC12CC3CC(CC(C3)C1)C2 Amb27179231 [1,1,0,0,0,0|1,0,0]=3 350 B15R3.162082 ICCC12CC3CC(CC(C3)C1)C2 Amb27629322 [1,1,0,0,0,0|0,0,0]=2 351 B15R3.162082 N#CCC12CC3CC(CC(C3)C1)C2 Amb1048134 [1,1,0,0,0,0|0,0,1]=3 352 B15R3.162082 N#CNC12CC3CC(CC(C3)C1)C2 Amb9785129 [1,1,0,0,0,0|0,0,2]=4 353 B15R3.162082 NCCC12CC3CC(CC(C3)C1)C2 Amb1048133 [1,1,0,0,0,0|0,0,0]=2 354 B15R3.162082 NCCC12CC3CC(CC(C3)C1)C2 Amb6297965 [1,1,0,0,0,0|0,0,0]=2 355 B15R3.162082 NNCC12CC3CC(CC(C3)C1)C2 Amb6246906 [1,1,0,0,0,0|0,0,0]=2 356 B15R3.162082 O=C=NC12CC3CC(CC(C3)C1)C2 Amb3940182 [1,1,0,0,0,0|1,0,1]=4 357 B15R3.162082 O=CCC12CC3CC(CC(C3)C1)C2 Amb27666423 [1,1,0,0,0,0|0,0,1]=3 358 B15R3.162082 O=CNC12CC3CC(CC(C3)C1)C2 Amb3359882 [1,1,0,0,0,0|1,0,1]=4 359 B15R3.162082 O=S=NC12CC3CC(CC(C3)C1)C2 Amb27260438 [1,1,0,0,0,0|2,0,0]=4 360 B15R3.162082 OCCC12CC3CC(CC(C3)C1)C2 Amb10068994 [1,1,0,0,0,0|0,0,0]=2 361 B15R3.162082 S=C=NC12CC3CC(CC(C3)C1)C2 Amb16193280 [1,1,0,0,0,0|1,0,1]=4 362 B15R3.162082 S=CNC12CC3CC(CC(C3)C1)C2 Amb27591518 [1,1,0,0,0,0|1,0,1]=4 363 B15R3.162082 SCCC12CC3CC(CC(C3)C1)C2 Amb9785112 [1,1,0,0,0,0|0,0,0]=2 364 B15R3.162082 [C-]#[N+]CC12CC3CC(CC(C3)C1)C2 Amb33427500 [1,1,0,0,0,0|0,0,1]=3 365 B15R3.162082 [N-]=[N+]=NC12CC3CC(CC(C3)C1)C2 Amb24053038 [1,1,0,0,0,0|1,0,1]=4 366 B15R3.273369 BrCC12CC3CC(CC(Br)(C3)C1)C2 Amb2550347 [1,1,0,0,0,0|1,0,0]=3 367 B15R3.273369 BrC[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 Amb27976686 [1,1,0,0,0,0|1,0,0]=3 368 B15R3.273369 C#CC12CC3CC(CC(Br)(C3)C1)C2 Amb33743632 [1,1,0,0,0,0|0,0,2]=4 369 B15R3.273369 CC12CC3CC(C1)CC(CN)(C3)C2 Amb18648295 [1,1,0,0,0,0|0,0,0]=2 370 B15R3.273369 CC12CC3CC(C1)CC(CN)(C3)C2 Amb32751222 [1,1,0,0,0,0|0,0,0]=2 371 B15R3.273369 CC12CC3CC(C1)CC(CO)(C3)C2 Amb4014596 [1,1,0,0,0,0|1,0,0]=3 372 B15R3.273369 CC12CC3CC(C1)CC(CO)(C3)O2 Amb28285567 [1,1,0,0,0,0|2,0,0]=4 373 B15R3.273369 CC12CC3CC(C1)CC(NN)(C3)O2 Amb27794273 [1,1,0,0,0,0|2,0,0]=4 374 B15R3.273369 CCC12CC3CC(CC(Br)(C3)C1)C2 Amb2722978 [1,1,0,0,0,0|0,0,0]=2 375 B15R3.273369 CCC12CC3CC(CC(N)(C3)C1)C2 Amb1419313 [1,1,0,0,0,0|0,0,0]=2 376 B15R3.273369 CCC12CC3CC(CC(N)(C3)C1)C2 Amb9783369 [1,1,0,0,0,0|0,0,0]=2 377 B15R3.273369 CCC12CC3CC(CC(O)(C3)C1)C2 Amb9785131 [1,1,0,0,0,0|0,0,0]=2 378 B15R3.273369 CC[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 Amb16192712 [1,1,0,0,0,0|0,0,0]=2 379 B15R3.273369 CC[C@@]12C[C@@H]3C[C@@H](C[C@@](N)(C3)C1)C2 Amb27786893 [1,1,0,0,0,0|0,0,0]=2 380 B15R3.273369 CC[C@@]12C[C@@H]3C[C@@H](C[C@@](N)(C3)C1)C2 Amb6298139 [1,1,0,0,0,0|0,0,0]=2 381 B15R3.273369 CC[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 Amb27786894 [1,1,0,0,0,0|0,0,0]=2 382 B15R3.273369 CC[C@]12C[C@H]3C[C@H](C[C@](C)(C3)C1)C2 Amb25929769 [1,1,0,0,0,0|0,0,0]=2 383 B15R3.273369 CNC12CC3CC(CC(C)(C3)C1)C2 Amb9782356 [1,1,0,0,0,0|1,0,0]=3 384 B15R3.273369 C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C#N)(C3)C2 Amb28146035 [1,1,0,0,0,0|0,0,2]=4 385 B15R3.273369 C[C@]12C[C@@H]3C[C@H](C1)C[C@@](CBr)(C3)C2 Amb28144914 [1,1,0,0,0,0|1,0,0]=3 386 B15R3.273369 C[C@]12C[C@@H]3C[C@H](C1)C[C@@](CO)(C3)C2 Amb27447215 [1,1,0,0,0,0|1,0,0]=3 387 B15R3.273369 N#CC12CC3CC(CC(Cl)(C3)C1)C2 Amb1149842 [1,1,0,0,0,0|0,0,2]=4 388 B15R3.273369 N#CC12CC3CC(CC(O)(C3)C1)C2 Amb16186763 [1,1,0,0,0,0|0,0,2]=4 389 B15R3.273369 NC12CC3CC(C1)CC(CO)(C3)C2 Amb26499332 [1,1,0,0,0,0|1,0,0]=3 390 B15R3.273369 NC12CC3CC(C1)CC(CO)(C3)O2 Amb1148789 [1,1,0,0,0,0|2,0,0]=4 391 B15R3.273369 NCC12CC3CC(CC(Br)(C3)C1)C2 Amb28122985 [1,1,0,0,0,0|0,0,0]=2 392 B15R3.273369 NCC12CC3CC(CC(Br)(C3)C1)C2 Amb32658028 [1,1,0,0,0,0|0,0,0]=2 393 B15R3.273369 NCC12CC3CC(CC(Cl)(C3)C1)C2 Amb1152907 [1,1,0,0,0,0|0,0,0]=2 394 B15R3.273369 NCC12CC3CC(CC(Cl)(C3)C1)C2 Amb2370932 [1,1,0,0,0,0|0,0,0]=2 395 B15R3.273369 NCC12CC3CC(CC(N)(C3)C1)C2 Amb2611037 [1,1,0,0,0,0|0,0,0]=2 396 B15R3.273369 NCC12CC3CC(CC(O)(C3)C1)C2 Amb8508254 [1,1,0,0,0,0|0,0,0]=2 397 B15R3.273369 NCC12CC3CC(CC(O)(C3)C1)C2 Amb9783927 [1,1,0,0,0,0|0,0,0]=2 398 B15R3.273369 NCC12CC3CC(CC(O)(C3)O1)C2 Amb27862530 [1,1,0,0,0,0|1,0,0]=3 399 B15R3.273369 NC[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 Amb27632932 [1,1,0,0,0,0|0,0,0]=2 400 B15R3.273369 OC12CC3CC(C1)CC(CBr)(C3)C2 Amb2550374 [1,1,0,0,0,0|1,0,0]=3 401 B15R3.273369 OCC12CC3CC(CC(Br)(C3)C1)C2 Amb2732976 [1,1,0,0,0,0|1,0,0]=3 402 B15R3.273369 OCC12CC3CC(CC(Cl)(C3)C1)C2 Amb2550375 [1,1,0,0,0,0|1,0,0]=3 403 B15R3.273369 OCC12CC3CC(CC(F)(C3)C1)C2 Amb21960858 [1,1,0,0,0,0|1,0,0]=3 404 B15R3.273369 OCC12CC3CC(CC(O)(C3)C1)C2 Amb20247932 [1,1,0,0,0,0|1,0,0]=3 405 B15R3.273369 OCC12CC3CC(CC(P)(C3)C1)C2 Amb27833713 [1,1,0,0,0,0|1,0,0]=3 406 B15R3.273369 OC[C@@]12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 Amb27853581 [1,1,0,0,0,0|1,0,0]=3 407 B15R3.273369 OC[C@@]12C[C@@H]3C[C@@H](C[C@@](F)(C3)C1)C2 Amb27626054 [1,1,0,0,0,0|1,0,0]=3 408 B15R3.273369 OC[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 Amb6298630 [1,1,0,0,0,0|1,0,0]=3 409 B15R3.273369 OC[C@@]12C[C@@H]3C[C@@H](C[C@](O)(C3)C1)C2 Amb27875216 [1,1,0,0,0,0|1,0,0]=3 410 B15R3.273369 O[C@@]12C[C@H]3C[C@@H](C1)C[C@](CBr)(C3)C2 Amb28318781 [1,1,0,0,0,0|1,0,0]=3 411 B15R3.273370 CN1C2CC3CC(C2)CC1(CO)C3 Amb28042122 [1,1,0,0,0,0|2,0,0]=4 412 B15R3.273370 COC12CC3CC(CC(C3)C1N)C2 Amb28364330 [1,1,0,0,0,0|1,0,0]=3 413 B15R3.273370 CO[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2Cl Amb27863514 [1,1,0,0,0,0|1,0,0]=3 414 B15R3.273370 CO[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2N Amb27422077 [1,1,0,0,0,0|1,0,0]=3 415 B15R3.273370 N#CC12CC3CC(CC(C3)C1O)C2 Amb28069701 [1,1,0,0,0,0|0,0,2]=4 416 B15R3.273370 NC1C2CC3CC(C2)CC1(CO)C3 Amb23603800 [1,1,0,0,0,0|1,0,0]=3 417 B15R3.273370 NCC12CC3CC(CC(C3)C1=O)C2 Amb27180142 [1,1,0,0,0,0|0,0,1]=3 418 B15R3.273370 NCC12CC3CC(CC(C3)C1N)C2 Amb23603804 [1,1,0,0,0,0|0,0,0]=2 419 B15R3.273370 NCC12CC3CC(CC(C3)C1O)C2 Amb23603806 [1,1,0,0,0,0|0,0,0]=2 420 B15R3.273370 OCC12CC3CC(CC(C3)C1O)C2 Amb23603799 [1,1,0,0,0,0|1,0,0]=3 421 B15R3.273370 OCC12C[C@@H]3CC(C[C@H](C3)C1)C2O Amb28345462 [1,1,0,0,0,0|1,0,0]=3 422 B15R3.273370 OC[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2Cl Amb27422101 [1,1,0,0,0,0|1,0,0]=3 423 B15R3.273375 COC12CC3CC(C1)C(N)C(C3)C2 Amb25779980 [1,1,0,0,0,0|1,0,0]=3 424 B15R3.273375 COC12CC3CC(C1)C(N)C(C3)C2 Amb26304208 [1,1,0,0,0,0|1,0,0]=3 425 B15R3.273375 CO[C@]12CC3C[C@@H](C1)C(N)[C@H](C3)C2 Amb27469759 [1,1,0,0,0,0|1,0,0]=3 426 B15R3.273375 N#CC12CC3C[C@@H](C1)C(O)[C@@H](C3)C2 Amb27184299 [1,1,0,0,0,0|0,0,2]=4 427 B15R3.273375 N#C[C@@]12C[C@H]3C[C@@H](C1)C(N)[C@H](C3)C2 Amb28134028 [1,1,0,0,0,0|0,0,2]=4 428 B15R3.273375 NC1C2CC3CC1CC(CO)(C3)C2 Amb26493182 [1,1,0,0,0,0|1,0,0]=3 429 B15R3.273375 NC1C2CC3CC1CC(CO)(C3)C2 Amb32652484 [1,1,0,0,0,0|1,0,0]=3 430 B15R3.273375 NC1[C@H]2CC3C[C@@H]1C[C@@](CO)(C3)C2 Amb28074104 [1,1,0,0,0,0|1,0,0]=3 431 B15R3.273375 NCC12CC3CC(C1)C(=O)C(C3)C2 Amb9776157 [1,1,0,0,0,0|0,0,1]=3 432 B15R3.273375 NCC12CC3CC(C1)C(F)C(C3)C2 Amb28055933 [1,1,0,0,0,0|0,0,0]=2 433 B15R3.273375 NCC12CC3CC(C1)C(N)C(C3)C2 Amb23603845 [1,1,0,0,0,0|0,0,0]=2 434 B15R3.273375 NCC12CC3CC(C1)C(O)C(C3)C2 Amb21961462 [1,1,0,0,0,0|0,0,0]=2 435 B15R3.273375 NCC12CC3CC(C1)C(O)C(C3)C2 Amb22586934 [1,1,0,0,0,0|0,0,0]=2 436 B15R3.273375 NCC12CC3CC(C1)C(O)C(C3)C2 Amb9776156 [1,1,0,0,0,0|0,0,0]=2 437 B15R3.273375 NC[C@@]12C[C@H]3C[C@@H](C1)C(F)[C@H](C3)C2 Amb27195898 [1,1,0,0,0,0|0,0,0]=2 438 B15R3.273375 NC[C@@]12C[C@H]3C[C@@H](C1)C(N)[C@H](C3)C2 Amb27491831 [1,1,0,0,0,0|0,0,0]=2 439 B15R3.273375 NC[C@@]12C[C@H]3C[C@@H](C1)C(O)[C@H](C3)C2 Amb13887948 [1,1,0,0,0,0|0,0,0]=2 440 B15R3.273375 O=C1C2CC3CC1CC(CO)(C3)C2 Amb26377078 [1,1,0,0,0,0|1,0,1]=4 441 B15R3.273375 OCC12CC3CC(C1)C(F)C(C3)C2 Amb24077306 [1,1,0,0,0,0|1,0,0]=3 442 B15R3.273375 OCC12CC3CC(C1)C(O)C(C3)C2 Amb27875170 [1,1,0,0,0,0|1,0,0]=3 443 B15R3.273375 OCC12CC3C[C@H](C1)C(O)[C@H](C3)C2 Amb26989910 [1,1,0,0,0,0|1,0,0]=3 444 B15R3.273375 OC[C@@]12C[C@H]3C[C@@H](C1)C(O)[C@H](C3)C2 Amb28367651 [1,1,0,0,0,0|1,0,0]=3 445 B15R3.96619 CCC(=O)C12CC3CC(CC1C3)C2 Amb27409627 [0,1,0,0,1,0|1,0,1]=4 446 B15R3.96619 COC(=O)C12CC3CC(CC1C3)C2 Amb27872259 [0,1,0,0,1,0|1,0,1]=4 447 B15R3.96619 O=C(CCl)C12CC3CC(CC1C3)C2 Amb26917556 [0,1,0,0,1,0|1,0,1]=4 448 B15R3.228781 NC(=O)C12CC3CC(C1)C(N)(C3)C2 Amb27164158 [0,1,0,0,1,0|1,0,1]=4 449 B17R3.970977 CC(=O)NC12CC3CC(C1)C(N)C(C3)C2 Amb32652649 [0,1,0,0,0,1|1,0,1]=4 450 B17R3.970977 CC(=O)NC12CC3CC(C1)C(N)C(C3)C2 Amb32652736 [0,1,0,0,0,1|1,0,1]=4 451 B17R3.970977 CC(=O)OC12CC3CC(C1)C(N)C(C3)C2 Amb32651859 [0,1,0,0,0,1|1,0,1]=4 452 B17R3.970977 CC(=O)OC12CC3CC(C1)C(N)C(C3)C2 Amb33172846 [0,1,0,0,0,1|1,0,1]=4 453 B17R3.1490595 C#CC(C)CC12CC3CC(CC(C3)C1)C2 Amb33427480 [0,1,0,0,0,1|1,0,0]=3 454 B17R3.1490595 C12CC3CC(C1)CC(CC(=O)NN)(C2)C3 Amb17943825 [0,1,0,0,0,1|1,0,1]=4 455 B17R3.1490595 C12CC3CC(C1)CC(NC(=S)NN)(C2)C3 Amb17938013 [0,1,0,0,0,1|1,0,1]=4 456 B17R3.1490595 C=C(CBr)CC12CC3CC(CC(C3)C1)C2 Amb33331942 [0,1,0,0,0,1|1,0,1]=4 457 B17R3.1490595 C=C(CN)CC12CC3CC(CC(C3)C1)C2 Amb33310438 [0,1,0,0,0,1|0,0,2]=4 458 B17R3.1490595 C=CC(O)CC12CC3CC(CC(C3)C1)C2 Amb33172127 [0,1,0,0,0,1|1,0,1]=4 459 B17R3.1490595 CC(C#N)CC12CC3CC(CC(C3)C1)C2 Amb33310456 [0,1,0,0,0,1|0,0,1]=3 460 B17R3.1490595 CC(C=O)CC12CC3CC(CC(C3)C1)C2 Amb33427101 [0,1,0,0,0,1|1,0,0]=3 461 B17R3.1490595 CC(CBr)CC12CC3CC(CC(C3)C1)C2 Amb33331926 [0,1,0,0,0,1|1,0,0]=3 462 B17R3.1490595 CC(CC12CC3CC(CC(C3)C1)C2)ON Amb33427465 [0,1,0,0,0,1|0,0,0]=2 463 B17R3.1490595 CC(CN)CC12CC3CC(CC(C3)C1)C2 Amb33427811 [0,1,0,0,0,1|0,0,0]=2 464 B17R3.1490595 CC(CN)OC12CC3CC(CC(C3)C1)C2 Amb13950984 [0,1,0,0,0,1|0,0,0]=2 465 B17R3.1490595 CCC(N)CC12CC3CC(CC(C3)C1)C2 Amb1068349 [0,1,0,0,0,1|0,0,0]=2 466 B17R3.1490595 CCC(N)CC12CC3CC(CC(C3)C1)C2 Amb21961638 [0,1,0,0,0,1|0,0,0]=2 467 B17R3.1490595 CNC(=O)CC12CC3CC(CC(C3)C1)C2 Amb1152466 [0,1,0,0,0,1|1,0,1]=4 468 B17R3.1490595 CNC(=S)NC12CC3CC(CC(C3)C1)C2 Amb2469119 [0,1,0,0,0,1|1,0,1]=4 469 B17R3.1490595 CNC(C)CC12CC3CC(CC(C3)C1)C2 Amb13887570 [0,1,0,0,0,1|0,0,0]=2 470 B17R3.1490595 COC(=O)CC12CC3CC(CC(C3)C1)C2 Amb2725813 [0,1,0,0,0,1|1,0,1]=4 471 B17R3.1490595 COC(=O)NC12CC3CC(CC(C3)C1)C2 Amb1349071 [0,1,0,0,0,1|1,0,1]=4 472 B17R3.1490595 NC(CO)CC12CC3CC(CC(C3)C1)C2 Amb18656642 [0,1,0,0,0,1|0,0,0]=2 473 B17R3.1490595 NCC(=O)CC12CC3CC(CC(C3)C1)C2 Amb25034012 [0,1,0,0,0,1|1,0,1]=4 474 B17R3.1490595 NCC(=O)NC12CC3CC(CC(C3)C1)C2 Amb21893947 [0,1,0,0,0,1|1,0,1]=4 475 B17R3.1490595 NCC(F)CC12CC3CC(CC(C3)C1)C2 Amb33427495 [0,1,0,0,0,1|1,0,0]=3 476 B17R3.1490595 NCC(O)CC12CC3CC(CC(C3)C1)C2 Amb33372306 [0,1,0,0,0,1|1,0,0]=3 477 B17R3.1490595 NC[C@@H](O)CC12CC3CC(CC(C3)C1)C2 Amb33427493 [0,1,0,0,0,1|1,0,0]=3 478 B17R3.1490595 NC[C@H](O)CC12CC3CC(CC(C3)C1)C2 Amb33427494 [0,1,0,0,0,1|1,0,0]=3 479 B17R3.1490595 NNC(=O)CC12CC3CC(CC(C3)C1)C2 Amb6335891 [0,1,0,0,0,1|1,0,1]=4 480 B17R3.1490595 NNC(=O)NC12CC3CC(CC(C3)C1)C2 Amb6296219 [0,1,0,0,0,1|1,0,1]=4 481 B17R3.1490595 NNC(=S)NC12CC3CC(CC(C3)C1)C2 Amb6296767 [0,1,0,0,0,1|1,0,1]=4 482 B17R3.1490595 N[C@@H](CO)CC12CC3CC(CC(C3)C1)C2 Amb33225265 [0,1,0,0,0,1|0,0,0]=2 483 B17R3.1490595 N[C@H](CO)CC12CC3CC(CC(C3)C1)C2 Amb33372333 [0,1,0,0,0,1|0,0,0]=2 484 B17R3.1490595 O=C(CC12CC3CC(CC(C3)C1)C2)NO Amb1152206 [0,1,0,0,0,1|1,0,1]=4 485 B17R3.1490595 O=C(CCl)CC12CC3CC(CC(C3)C1)C2 Amb5380630 [0,1,0,0,0,1|1,0,1]=4 486 B17R3.1490595 O=C(CCl)NC12CC3CC(CC(C3)C1)C2 Amb1150076 [0,1,0,0,0,1|1,0,1]=4 487 B17R3.1490595 O=C(CI)NC12CC3CC(CC(C3)C1)C2 Amb23579971 [0,1,0,0,0,1|1,0,1]=4 488 B17R3.1490595 O=C(CO)NC12CC3CC(CC(C3)C1)C2 Amb1110574 [0,1,0,0,0,1|1,0,1]=4 489 B17R3.1490595 OC(CBr)CC12CC3CC(CC(C3)C1)C2 Amb33331933 [0,1,0,0,0,1|1,0,0]=3 490 B17R3.1490595 OC(CF)CC12CC3CC(CC(C3)C1)C2 Amb33427476 [0,1,0,0,0,1|1,0,0]=3 491 B17R3.1490595 OCC(O)CC12CC3CC(CC(C3)C1)C2 Amb33427477 [0,1,0,0,0,1|1,0,0]=3 492 B17R3.1490595 [C-]#[N+]C(C)CC12CC3CC(CC(C3)C1)C2 Amb33427498 [0,1,0,0,0,1|0,0,1]=3 493 B17R3.2523832 CC(=O)CC12CC3CC(CC(Br)(C3)C1)C2 Amb1945769 [0,1,0,0,0,1|1,0,1]=4 494 B17R3.2523832 CC(=O)NC12CC3CC(CC(C)(C3)C1)C2 Amb17607499 [0,1,0,0,0,1|1,0,1]=4 495 B17R3.2523832 CC(=O)NC12CC3CC(CC(O)(C3)C1)C2 Amb9785141 [0,1,0,0,0,1|1,0,1]=4 496 B17R3.3241202 CC(=O)C(C)C12CC3CC(CC(C3)C1)C2 Amb4362090 [0,1,0,0,0,1|1,0,1]=4 497 B17R3.3241202 CC(Br)C(=O)C12CC3CC(CC(C3)C1)C2 Amb13887538 [0,1,0,0,0,1|1,0,0]=3 498 B17R3.3241202 CC(C)C(=O)C12CC3CC(CC(C3)C1)C2 Amb27868358 [0,1,0,0,0,1|1,0,0]=3 499 B17R3.3241202 NC(C(F)F)C12CC3CC(CC(C3)C1)C2 Amb33803320 [0,1,0,0,0,1|2,0,0]=4 500 B17R3.3241202 NC(C(F)F)C12CC3CC(CC(C3)C1)C2 Amb33803863 [0,1,0,0,0,1|2,0,0]=4 501 B17R3.3241202 O=C(C(Br)Br)C12CC3CC(CC(C3)C1)C2 Amb1144738 [0,1,0,0,0,1|2,0,0]=4 502 B17R3.3269562 CC(C)(N)CC12CC3CC(CC(C3)C1)C2 Amb22587679 [0,1,0,0,0,1|0,0,0]=2 503 B17R3.3269562 CC(C)(N)CC12CC3CC(CC(C3)C1)C2 Amb9781690 [0,1,0,0,0,1|0,0,0]=2 504 B17R3.3269562 CC(C)(O)CC12CC3CC(CC(C3)C1)C2 Amb13887322 [0,1,0,0,0,1|1,0,0]=3 505 B17R3.3269562 CS(=O)(=O)OC12CC3CC(CC(C3)C1)C2 Amb28285808 [0,1,0,0,0,1|2,0,0]=4 506 B17R3.3269562 NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2 Amb32665658 [0,1,0,0,0,1|2,0,0]=4 507 B17R3.2652863 COC(=O)C12CC3CC(C1)C(N)C(C3)C2 Amb33726894 [0,2,0,0,0,0|1,0,1]=4 508 B17R3.2652863 COC(=O)C12CC3CC(C1)C(O)C(C3)C2 Amb22481096 [0,2,0,0,0,0|1,0,1]=4 509 B17R3.2652863 COC(=O)[C@@]12C[C@H]3C[C@@H](C1)C(N)[C@H](C3)C2 Amb34139101 [0,2,0,0,0,0|1,0,1]=4 510 B17R3.2652863 COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@H](N)[C@H](C3)C2 Amb33872070 [0,2,0,0,0,0|1,0,1]=4 511 B17R3.2652863 COC(=O)[C@]12CC3CC(C1)[C@@H](N)[C@@H](C3)C2 Amb22756680 [0,2,0,0,0,0|1,0,1]=4 512 B17R3.3517990 CNC1C2CC3CC1CC(C(N)=O)(C3)C2 Amb23603847 [0,2,0,0,0,0|1,0,1]=4 513 B17R3.1092379 COS(=O)(=O)C12CC3CC(CC(C3)C1)C2 Amb2794968 [0,2,0,0,0,0|2,0,0]=4 514 B17R3.1270048 CC\C(=N/O)C12CC3CC(CC(C3)C1)C2 Amb13887347 [0,2,0,0,0,0|0,0,2]=4 515 B17R3.1399764 C#CCC(=O)C12CC3CC(CC(C3)C1)C2 Amb27272640 [0,2,0,0,0,0|1,0,1]=4 516 B17R3.1399764 CC(N=C=S)C12CC3CC(CC(C3)C1)C2 Amb13887562 [0,2,0,0,0,0|0,0,1]=3 517 B17R3.1399764 CCCC(N)C12CC3CC(CC(C3)C1)C2 Amb13887544 [0,2,0,0,0,0|0,0,0]=2 518 B17R3.1399764 CCCC(N)C12CC3CC(CC(C3)C1)C2 Amb13887558 [0,2,0,0,0,0|0,0,0]=2 519 B17R3.1399764 CCOC(=O)C12CC3CC(CC(C3)C1)C2 Amb2581728 [0,2,0,0,0,0|1,0,1]=4 520 B17R3.1399764 CNCC(O)C12CC3CC(CC(C3)C1)C2 Amb23603832 [0,2,0,0,0,0|1,0,0]=3 521 B17R3.1399764 N#CCC(=O)C12CC3CC(CC(C3)C1)C2 Amb13887829 [0,2,0,0,0,0|1,0,1]=4 522 B17R3.1399764 NC(CCO)C12CC3CC(CC(C3)C1)C2 Amb32653474 [0,2,0,0,0,0|0,0,0]=2 523 B17R3.1399764 NC(CCO)C12CC3CC(CC(C3)C1)C2 Amb32653479 [0,2,0,0,0,0|0,0,0]=2 524 B17R3.1399764 NCCC(O)C12CC3CC(CC(C3)C1)C2 Amb13887317 [0,2,0,0,0,0|1,0,0]=3 525 B17R3.1399764 O=CCC(=O)C12CC3CC(CC(C3)C1)C2 Amb24113672 [0,2,0,0,0,0|1,0,1]=4 526 B17R3.2652857 CC(CN)C12CC3CC(CC(F)(C3)C1)C2 Amb33735124 [0,2,0,0,0,0|0,0,0]=2 527 B17R3.2652857 CC(CO)C12CC3CC(CC(F)(C3)C1)C2 Amb33740091 [0,2,0,0,0,0|1,0,0]=3 528 B17R3.2652857 CC12CC3CC(C1)CC(C(=O)CBr)(C3)C2 Amb4140039 [0,2,0,0,0,0|1,0,1]=4 529 B17R3.2652857 CCC(N)C12CC3CC(CC(O)(C3)C1)C2 Amb2786553 [0,2,0,0,0,0|0,0,0]=2 530 B17R3.2652857 CCC(N)C12CC3CC(CC(O)(C3)C1)C2 Amb4425604 [0,2,0,0,0,0|0,0,0]=2 531 B17R3.2652857 CNC(=O)C12CC3CC(CC(N)(C3)C1)C2 Amb32723569 [0,2,0,0,0,0|1,0,1]=4 532 B17R3.2652857 COC(=O)C12CC3CC(CC(F)(C3)C1)C2 Amb20667897 [0,2,0,0,0,0|1,0,1]=4 533 B17R3.2652857 COC(=O)C12CC3CC(CC(N)(C3)C1)C2 Amb18656594 [0,2,0,0,0,0|1,0,1]=4 534 B17R3.2652857 COC(=O)C12CC3CC(CC(N)(C3)C1)C2 Amb3318542 [0,2,0,0,0,0|1,0,1]=4 535 B17R3.2652857 COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 Amb34916459 [0,2,0,0,0,0|1,0,1]=4 536 B17R3.2652857 COC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](N)(C3)C1)C2 Amb35745489 [0,2,0,0,0,0|1,0,1]=4 537 B17R3.2652857 COC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](N)(C3)C1)C2 Amb35745571 [0,2,0,0,0,0|1,0,1]=4 538 B17R3.2652857 C[C@@H](CN)C12CC3CC(CC(F)(C3)C1)C2 Amb33743245 [0,2,0,0,0,0|0,0,0]=2 539 B17R3.2652857 C[C@@H](CO)C12CC3CC(CC(F)(C3)C1)C2 Amb33747990 [0,2,0,0,0,0|1,0,0]=3 540 B17R3.2652857 C[C@H](CN)C12CC3CC(CC(F)(C3)C1)C2 Amb33728695 [0,2,0,0,0,0|0,0,0]=2 541 B17R3.2652857 C[C@H](CO)C12CC3CC(CC(F)(C3)C1)C2 Amb33749550 [0,2,0,0,0,0|1,0,0]=3 542 B17R3.2652857 NNC(=O)C12CC3CC(CC(O)(C3)C1)C2 Amb2230722 [0,2,0,0,0,0|1,0,1]=4 543 B17R3.3824613 CS(=O)(=O)C12CC3CC(CC(N)(C3)C1)C2 Amb23603834 [0,2,0,0,0,0|2,0,0]=4 544 B17R3.3824613 NC12CC3CC(C1)CC(C(F)(F)F)(C3)C2 Amb2777248 [0,2,0,0,0,0|2,0,0]=4 545 B17R3.3824613 [NH3+]C12CC3CC(C1)CC(C(F)(F)F)(C3)C2 Amb4259120 [0,2,0,0,0,0|2,0,0]=4 546 B17R3.5878818 CC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2 Amb4324860 [0,2,0,0,0,0|1,0,1]=4 547 B17R3.5878818 CC(N)C12CC3CC(C)(CC(C)(C3)C1)C2 Amb1395022 [0,2,0,0,0,0|0,0,0]=2 548 B13R1.148 CC(=O)C(C)CC1CCCC(C)C1 Amb27642264 [0,0,2,0,0,0|1,0,1]=4 549 B13R1.148 CC(N)C(C)CN1CCCC(F)C1 Amb30028627 [0,0,2,0,0,0|2,0,0]=4 550 B13R1.148 CC1CC(NC(C)C(C)N)CCO1 Amb27174689 [0,0,2,0,0,0|2,0,0]=4 551 B13R1.148 CC1CCCC(CC(=O)[C@@H](C)N)C1 Amb35624210 [0,0,2,0,0,0|1,0,1]=4 552 B13R1.148 CC1CCCC(CC(=O)[C@H](C)N)C1 Amb35618176 [0,0,2,0,0,0|1,0,1]=4 553 B13R1.148 CC1CCCC(CC(O)C(C)N)C1 Amb30024069 [0,0,2,0,0,0|1,0,0]=3 554 B13R1.148 CC1CCCC(CC(O)[C@@H](C)N)C1 Amb30024753 [0,0,2,0,0,0|1,0,0]=3 555 B13R1.148 CC1CCCC(CC(O)[C@H](C)N)C1 Amb35624080 [0,0,2,0,0,0|1,0,0]=3 556 B13R1.148 CC1CCCC(NC(C)C(C)C)C1 Amb7757246 [0,0,2,0,0,0|2,0,0]=4 557 B13R1.148 C\C(=C/C1CCCC(C)C1)C(C)N Amb28456325 [0,0,2,0,0,0|0,0,2]=4 558 B13R1.587 CC(=O)C1CCCC(CC(C)C)C1 Amb27487054 [0,0,2,0,0,0|1,0,1]=4 559 B13R1.587 CC(C)CC1CCCC(C(C)N)C1 Amb27487055 [0,0,2,0,0,0|0,0,0]=2 560 B13R1.587 CC(C)CN1CCCC(C(C)N)C1 Amb27270674 [0,0,2,0,0,0|1,0,0]=3 561 B13R1.587 CC(N)C1CCCN(C[C@@H](C)O)C1 Amb27475757 [0,0,2,0,0,0|2,0,0]=4 562 B13R1.3420 CC(=O)CCC1CC(C)CC(C)C1 Amb27668700 [0,0,2,0,0,0|1,0,1]=4 563 B13R1.3420 CC(Br)CCC1CC(C)CC(C)C1 Amb28184529 [0,0,2,0,0,0|1,0,0]=3 564 B13R1.3420 CC(C)CCC1CC(C)NC(C)C1 Amb28043394 [0,0,2,0,0,0|2,0,0]=4 565 B13R1.3420 CC(C)CNC1CC(C)CC(C)C1 Amb25087612 [0,0,2,0,0,0|2,0,0]=4 566 B13R1.3420 CC(Cl)CCC1CC(C)CC(C)C1 Amb27180397 [0,0,2,0,0,0|1,0,0]=3 567 B13R1.3420 CC(F)CCN1CC(C)CC(C)C1 Amb27598410 [0,0,2,0,0,0|2,0,0]=4 568 B13R1.3420 CC(N)CCN1CC(C)SC(C)C1 Amb27170691 [0,0,2,0,0,0|2,0,0]=4 569 B13R1.3420 CC(N)COC1CC(C)OC(C)C1 Amb28401165 [0,0,2,0,0,0|2,0,0]=4 570 B13R1.3420 CC(N)CSC1CC(C)CC(C)C1 Amb27397677 [0,0,2,0,0,0|1,0,0]=3 571 B13R1.3420 CC(O)CCC1CC(C)CC(C)C1 Amb27644991 [0,0,2,0,0,0|1,0,0]=3 572 B13R1.3420 CC(O)CCN1CC(C)CC(C)C1 Amb19075441 [0,0,2,0,0,0|2,0,0]=4 573 B13R1.3420 CC(O)CNC1CC(C)CC(C)C1 Amb24753428 [0,0,2,0,0,0|2,0,0]=4 574 B13R1.3420 CC1CC(C)CC(CNC(C)C)C1 Amb28243722 [0,0,2,0,0,0|2,0,0]=4 575 B13R1.7329 CC1CC(CCO)(C(C)N)CCO1 Amb27180709 [0,0,2,0,0,0|2,0,0]=4 576 B13R1.7329 CNCC1(C(C)C)CCCC(C)C1 Amb27984224 [0,0,2,0,0,0|2,0,0]=4 577 B13R1.1073 CC(C)C(C)(N)CC1CCCCC1 Amb18326174 [0,0,2,0,0,0|2,0,0]=4 578 B13R1.1073 CC(C)C(C)(O)CC1CCCCC1 Amb28185489 [0,0,2,0,0,0|2,0,0]=4 579 B13R1.1073 CC(N)C(C)(C)CN1CCOCC1 Amb27598945 [0,0,2,0,0,0|2,0,0]=4 580 B13R1.1073 CC(N)C(C)(F)CC1CCOCC1 Amb27881140 [0,0,2,0,0,0|2,0,0]=4 581 B13R1.1073 CC(N)C(C)(O)CC1CCCCC1 Amb27203814 [0,0,2,0,0,0|1,0,0]=3 582 B15R3.89096 CC(=O)C1CC2CC3CC(C2)C1C3 Amb23603829 [0,0,1,1,0,0|1,0,1]=4 583 B15R3.89096 CC(=O)C1C[C@H]2C[C@@H]3C[C@H](C2)[C@H]1C3 Amb28076157 [0,0,1,1,0,0|1,0,1]=4 584 B15R3.89096 CC(N)C1CC2CC3CC(C2)C1C3 Amb23603830 [0,0,1,1,0,0|0,0,0]=2 585 B15R3.89096 CC(N)C1C[C@H]2C[C@@H]3C[C@H](C2)[C@H]1C3 Amb28208569 [0,0,1,1,0,0|0,0,0]=2 586 B15R3.89096 NC(=O)C1CC2CC3CC(C2)C1C3 Amb23603816 [0,0,1,1,0,0|1,0,1]=4 587 B15R3.77839 CC12CC3CC(CC(C3)C1)CC2O Amb27761668 [0,0,1,1,0,0|1,0,0]=3 588 B15R3.77839 CC1CC2CC3CC(C2)CC1(N)C3 Amb24117994 [0,0,1,1,0,0|2,0,0]=4 589 B15R3.77839 CC1CC2CC3CC(C2)CC1(N)C3 Amb9782420 [0,0,1,1,0,0|2,0,0]=4 590 B15R3.77839 CC1CC2CC3CC(C2)CC1(O)C3 Amb9782419 [0,0,1,1,0,0|2,0,0]=4 591 B15R4.294768 CC(=O)C12C3CC4CC(C3)C1C42 Amb25874961 [0,0,0,1,1,0|1,0,1]=4 592 B17R4.799611 NC1=NC2C3CC4CC(C3)CC2(C4)O1 Amb28197135 [0,0,0,1,0,1|1,0,1]=4 593 B17R4.799611 O=C1CC23CC4CC(CC(C4)C2N1)C3 Amb27751309 [0,0,0,1,0,1|1,0,1]=4 594 B17R4.799611 O=C1CC23C[C@H]4CC(C[C@@H](C4)C2)C3N1 Amb27883237 [0,0,0,1,0,1|1,0,1]=4 595 B17R4.799611 O=C1NC2C3CC4CC(C3)CC2(C4)O1 Amb2737336 [0,0,0,1,0,1|1,0,1]=4 596 B17R4.799611 O=C1N[C@@H]2C3C[C@@H]4C[C@@H](C3)CC2(C4)O1 Amb27780168 [0,0,0,1,0,1|1,0,1]=4 597 B17R4.2224241 C1C2CC3CC1CC(CC4CO4)(C2)C3 Amb28423982 [0,0,0,1,0,1|1,0,0]=3 598 B17R4.2224241 C1C2CC3CC1CC(C[C@@H]4CO4)(C2)C3 Amb33427033 [0,0,0,1,0,1|1,0,0]=3 599 B17R4.2224241 C1C2CC3CC1CC(C[C@H]4CO4)(C2)C3 Amb33427034 [0,0,0,1,0,1|1,0,0]=3 600 B17R4.3160671 C1C2CC3CC1CC(C4NNN4)(C2)C3 Amb27986251 [0,1,0,1,0,0|1,0,0]=3 601 B17R4.3160671 C1CC(C23CC4CC(CC(C4)C2)C3)N1 Amb27260376 [0,1,0,1,0,0|0,0,0]=2 602 B17R4.5830880 CC1(C23CC4CC(CC(C4)C2)C3)CC1 Amb22802471 [0,1,0,1,0,0|1,0,0]=3 603 B17R4.5830880 CC1(C23CC4CC(CC(C4)C2)C3)CO1 Amb9765572 [0,1,0,1,0,0|1,0,0]=3 604 B17R4.5830880 NC1(C23CC4CC(CC(C4)C2)C3)CC1 Amb13887602 [0,1,0,1,0,0|0,0,0]=2 605 B13R2.4962 CC(=O)C12CCCC(CC1C)C2 Amb27256502 [0,0,1,0,1,0|1,0,1]=4 606 B13R2.5515 CC1(C(N)=O)CC2CCCC2C1 Amb28076905 [0,0,1,0,1,0|1,0,1]=4 607 B13R2.5515 CC1(C(N)=O)C[C@@H]2CCC[C@@H]2C1 Amb27592191 [0,0,1,0,1,0|1,0,1]=4 608 B13R2.13763 CC(C)C1(N)CC2CCC(C2)C1 Amb30023894 [0,0,1,0,1,0|2,0,0]=4 609 B13R2.13763 CC(C)C1(O)CC2CCC(C2)C1 Amb30023706 [0,0,1,0,1,0|2,0,0]=4 610 B13R2.13763 CC(N)C1(O)CC2CCC(C1)N2 Amb33495476 [0,0,1,0,1,0|2,0,0]=4 611 B13R3.6479 NCC12CC3CC(CC1C3)C2 Amb27649406 [1,0,0,0,1,0|0,0,0]=2 612 B13R3.6479 O=CC12CC3CC(CC1C3)C2 Amb27176357 [1,0,0,0,1,0|1,0,1]=4 613 B13R3.6479 OCC12CC3CC(CC1C3)C2 Amb3440488 [1,0,0,0,1,0|1,0,0]=3 614 B15R3.123774 NCC12CC3CCC(CC(C3)C1)C2 Amb5716008 [1,0,0,0,0,1|0,0,0]=2 615 B15R3.123774 OCC12CC3CCC(CC(C3)C1)C2 Amb2626996 [1,0,0,0,0,1|1,0,0]=3 616 B15R3.133392 COC12CC3CC(CN1)CC(C3)C2 Amb27597093 [1,0,0,0,0,1|1,0,0]=3 617 B15R3.133392 OCC12CCC3CC(CC(C3)C1)C2 Amb28428028 [1,0,0,0,0,1|1,0,0]=3 618 B15R3.92041 CC(=O)NC12CC3CC(CC1C3)C2 Amb27797342 [0,0,0,0,1,1|1,0,1]=4 619 B17R3.1306585 CC(=O)CCC12CC3CC(CC(C3)C1)C2 Amb33427809 [0,0,0,0,0,2|1,0,1]=4 620 B17R3.1306585 CC(Br)CCC12CC3CC(CC(C3)C1)C2 Amb33331922 [0,0,0,0,0,2|1,0,0]=3 621 B17R3.1306585 CC(O)CCC12CC3CC(CC(C3)C1)C2 Amb33427794 [0,0,0,0,0,2|1,0,0]=3 622 B17R3.1306585 CC(O)CNC12CC3CC(CC(C3)C1)C2 Amb6324966 [0,0,0,0,0,2|1,0,0]=3 623 B17R3.1306585 CN(O)CCC12CC3CC(CC(C3)C1)C2 Amb33427810 [0,0,0,0,0,2|2,0,0]=4 624 B17R3.1306585 C[C@@H](N)CCC12CC3CC(CC(C3)C1)C2 Amb33427485 [0,0,0,0,0,2|0,0,0]=2 625 B17R3.1306585 C[C@@H](O)CCC12CC3CC(CC(C3)C1)C2 Amb33427483 [0,0,0,0,0,2|1,0,0]=3 626 B17R3.1306585 C[C@H](N)CCC12CC3CC(CC(C3)C1)C2 Amb33427272 [0,0,0,0,0,2|0,0,0]=2 627 B17R3.1306585 C[C@H](O)CCC12CC3CC(CC(C3)C1)C2 Amb33427484 [0,0,0,0,0,2|1,0,0]=3 628 B17R3.1306585 N=C(N)CCC12CC3CC(CC(C3)C1)C2 Amb33426825 [0,0,0,0,0,2|1,0,1]=4 629 B17R3.1306585 NC(=O)CCC12CC3CC(CC(C3)C1)C2 Amb21811524 [0,0,0,0,0,2|1,0,1]=4 630 B17R3.1306585 NC(=S)CCC12CC3CC(CC(C3)C1)C2 Amb33426824 [0,0,0,0,0,2|1,0,1]=4