0 B12R1.478 CC(C)[C@H](CN)C1=CC=CC=C1 A11872 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.478 CN(C)[C@@H](CN)C1=CC=NC=C1 AR3470 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.478 CN(C)[C@@H](CN)C1=NC=CC=C1 AR3467 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.12 NC[C@@H](CO)C1=CC=CC=C1 70910 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [1,0,0,0,0,0|1,0,1]=3 18 B13R1.405 CN(C)[C@@H](CCO)C1=CC=CC=C1 FD1319 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.706 CC(C)[C@H](C#N)C1=CC=C(Br)C=C1 92199 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.716 CN(C)[C@@H](CN)C1=CC=CC(Cl)=C1 AR2339 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.719 C[Si](C)(C)[C@@H](CO)C1=CC=CC=C1 W15698 [0,1,0,0,0,0|0,1,2]=4 22 B13R1.720 CN(C)[C@@H](CN)C1=C(Cl)C=CC=C1 AR3479 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.720 CN(C)[C@@H](CN)C1=C(Cl)C=CC=C1 AR3959 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.1111 CN(C)[C@@H](C(=O)O)C1=CC=CC=C1 AT26503 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.1111 CN(C)[C@@H](C(=O)O)C1=CC=CC=C1 W10605 [0,1,0,0,0,0|1,0,0]=2 26 B13R2.15 NC1CCCC1C2=CC=CC=C2 C76071 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.15 OC1CCCC1C2=CC=CC=C2 78687 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.15 O[C@H]1CNC[C@@H]1C2=CC=CC=C2 P14522 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.135 CN1N=C2C=CC=CC2=C1C=O 30208 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.3080 CC1(C)[C@@H](N)[C@@H]1C2=CC=CC=C2 C13591 [0,0,0,1,0,0|1,0,1]=3 31 B13R1.713 CN[C@@H](CN(C)C)C1=CC=CC=C1 AR3530 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [2,0,0,0,0,0|0,0,1]=3 34 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [2,0,0,0,0,0|0,0,1]=3 52 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [2,0,0,0,0,0|0,0,1]=3 53 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.475 C#C[C@](O)(CC)C1=CC=CC=C1 65662 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 D76549 [1,1,0,0,0,0|0,0,1]=3 61 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 F16981 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y11062 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y14022 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31299 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 N12762 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10284 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10285 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 N13973 [1,1,0,0,0,0|0,0,1]=3 69 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11241 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11242 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 C75974 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 W12152 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 25133 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.124 CC(C)C(=O)C1=C(Cl)C=CC=C1 N12696 [1,1,0,0,0,0|0,0,1]=3 77 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 N13950 [1,1,0,0,0,0|0,0,1]=3 78 B12R1.124 CN(C)C(=O)C1=C(Br)C=CC=C1 D71121 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 N12197 [1,1,0,0,0,0|0,0,1]=3 80 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y11951 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y13383 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y14748 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11171 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11172 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.225 CC1=CC=CC(C(=O)C(C)C)=C1 N12777 [1,1,0,0,0,0|0,0,1]=3 86 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15616 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31035 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31052 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 11249 [1,1,0,0,0,0|1,0,0]=3 90 B14R1.4513 CN(C)[C@@H](CC1=CC=CC=C1)C(=O)O 93872 [0,1,0,0,0,1|1,0,0]=3 91 B14R1.6455 CC(=O)N[C@@H](C(=O)O)C1=CC=CC=C1 F11531 [0,1,0,0,0,1|1,0,1]=4 92 B14R1.703 CC(C)[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 73432 [0,2,0,0,0,0|0,0,0]=2 93 B14R1.703 CC(C)[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 73433 [0,2,0,0,0,0|0,0,0]=2 94 B14R1.703 CC(C)[C@@H](C(=O)O)C1=CC=C(F)C=C1 74957 [0,2,0,0,0,0|0,0,0]=2 95 B14R1.703 CC(C)[C@@H](C(=O)O)C1=CC=C(F)C=C1 74994 [0,2,0,0,0,0|0,0,0]=2 96 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [1,0,0,1,0,0|1,0,1]=4 100 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [1,0,0,1,0,0|1,0,1]=4 101 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [1,0,0,1,0,0|1,0,1]=4 102 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,1,0,0|1,0,1]=4 103 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [1,0,0,1,0,0|1,0,0]=3 104 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [1,0,0,1,0,0|0,0,0]=2 105 B12R2.48 C#CC1(C2=CC=CC=C2)CC1 C14707 [1,0,0,1,0,0|1,0,1]=4 106 B12R2.48 NCC1(C2=CC=CC=C2)CC1 31434 [1,0,0,1,0,0|1,0,1]=4 107 B12R2.48 OCC1(C2=CC=CC=C2)CC1 71001 [1,0,0,1,0,0|0,0,2]=4 108 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [1,0,0,1,0,0|1,0,1]=4 109 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10002 [1,0,0,1,0,0|1,0,0]=3 111 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10011 [1,0,0,1,0,0|1,0,0]=3 112 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10344 [1,0,0,1,0,0|1,0,0]=3 113 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 29809 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 N14247 [1,0,0,1,0,0|1,0,1]=4 115 B14R2.21 CC1CNCC(C2=CC=CC=C2)O1 F17620 [0,0,0,1,0,1|1,0,1]=4 116 B14R2.31359 CC(C)C1=CC=CC2=CC=CC=C21 96984 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.95 C[C@@H](CN)C1=CNC2=C1C=CC=C2 P18262 [0,1,0,1,0,0|1,0,1]=4 118 B14R2.642 CC(C)N1C(Cl)=NC2=C1C=CC=C2 D82881 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.642 CC(C)[C@@H]1C(=O)NC2=C1C=CC=C2 W18023 [0,1,0,1,0,0|0,0,0]=2 120 B14R3.2936 C1=CC=C(C23CNCC2C3)C=C1 33742 [0,0,0,2,0,0|1,0,1]=4 121 B10R1.23 CC(C)C(=O)C1=CC=CO1 N14289 [1,0,0,0,1,0|1,0,1]=4 122 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [1,0,0,0,0,1|1,0,1]=4 123 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [1,0,0,0,0,1|1,0,1]=4 124 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [1,0,0,0,0,1|1,0,0]=3 125 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [1,0,0,0,0,1|1,0,0]=3 126 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [1,0,0,0,0,1|1,0,0]=3 127 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [1,0,0,0,0,1|1,0,0]=3 128 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [1,0,0,0,0,1|1,0,0]=3 129 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [1,0,0,0,0,1|2,0,0]=4