0 B12R1.32 C#CCN(C)CC1=CC=CC=C1 T72610 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [1,0,0,0,0,0|1,0,2]=4 9 B13R1.1327 CC(C)(CC=O)SC1=CC=CC=C1 C13207 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13019 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.64 C1=CC=C(CN2C=CCC2)C=C1 C16282 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.135 O=CC1=C(Cl)CC2=C1C=CC=C2 AC9182 [0,0,0,1,0,0|2,0,1]=4 13 B13R2.328 CN1CC(=O)C2=C(C=CC=C2)C1 F12572 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.328 CN1CC(=O)C2=C(C=CC=C2)C1 F12579 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.328 O=C1CC2=C(C=CC=N2)C(=O)N1 52942 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)S1 D73547 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.328 O=C1NC(=S)SC2=C1C=CC=C2 D73549 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.328 O=C1NC(Cl)=CC2=C1C=CC=C2 32072 [0,0,0,1,0,0|1,0,2]=4 19 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.17 CNCCC1=CC=CN=C1 C73747 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.17 NOCCC1=CC=CC=C1 C10179 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [2,0,0,0,0,0|0,0,1]=3 32 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [2,0,0,0,0,0|0,0,1]=3 33 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.1 O=C=NCCC1=CC=C(Br)C=C1 AC6399 [1,1,0,0,0,0|0,0,2]=4 36 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.252 O=C(O)CCCC1=CN=CC=C1 AT25838 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.267 CCNCCC1=C(F)C=CC=C1 AC6701 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.43 C[C@H](NC1=CN=CC=C1)C(=O)O W16392 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.43 C[C@H](SC1=NC=CC=C1)C(=O)O W18318 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O N12543 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.43 O=C(O)[C@@H](O)CC1=CN=CC=C1 AT17758 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.49 CN[C@@H](C)CC1=CC=C(F)C=C1 N12809 [1,1,0,0,0,0|0,0,1]=3 48 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.50 CN[C@@H](C)CC1=CC=CC(F)=C1 N12793 [1,1,0,0,0,0|0,0,1]=3 50 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12975 [1,1,0,0,0,0|0,0,1]=3 51 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 C76076 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [0,1,0,0,1,0|1,0,1]=4 53 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [0,1,0,0,1,0|0,0,0]=2 54 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O D86825 [0,1,0,0,0,1|2,0,0]=4 55 B14R1.6829 C=CCC(C)(C)NCC1=CC=CC=C1 92551 [0,1,0,0,0,1|2,0,0]=4 56 B14R1.698 CC(C)N[C@@H](C)CC1=CC=C(I)C=C1 A10376 [0,2,0,0,0,0|1,0,1]=4 57 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 FD10070 [0,2,0,0,0,0|2,0,0]=4 58 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 FD10101 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 AC6590 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 C15461 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 FD10043 [0,2,0,0,0,0|2,0,0]=4 62 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 FD10047 [0,2,0,0,0,0|2,0,0]=4 63 B14R1.967 N[C@H](CC1=CC(F)=C(Br)C=C1)OC=O E71829 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.5978 CC1=CC=CC(C[C@@H](N)CC(=O)O)=C1 FD10048 [0,2,0,0,0,0|2,0,0]=4 65 B14R1.5978 CC1=CC=CC(C[C@@H](N)CC(=O)O)=C1 FD10051 [0,2,0,0,0,0|2,0,0]=4 66 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Br)=C1 FD10275 [0,2,0,0,0,0|2,0,0]=4 67 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Br)=C1 FD10307 [0,2,0,0,0,0|2,0,0]=4 68 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 FD10054 [0,2,0,0,0,0|2,0,0]=4 69 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 C15460 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 FD10076 [0,2,0,0,0,0|2,0,0]=4 71 B14R1.423 C[C@@H](CC1=CC=CC=C1)NCC(=O)O F19928 [0,2,0,0,0,0|0,0,0]=2 72 B14R1.743 COC(=O)C[C@H](N)CC1=CC=CC=C1 F20090 [0,2,0,0,0,0|2,0,0]=4 73 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 FD10077 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 FD10100 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 FD10305 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.337 N[C@@H](CC(=O)O)CC1=C(F)C=CC=C1 51227 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.337 N[C@@H](CC(=O)O)CC1=C(F)C=CC=C1 FD10068 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.337 N[C@@H](CC(=O)O)CC1=C(F)C=CC=C1 FD10069 [0,2,0,0,0,0|2,0,0]=4 79 B12R2.1 O=C[C@@H]1CCC2=C1C=CC=C2 D78606 [1,0,0,1,0,0|1,0,0]=3 80 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [1,0,0,1,0,0|1,0,0]=3 81 B12R2.1081 C=C1CCCC2=C1C=CC=C2 D87874 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.1081 O=C1CNCC2=C1C=CC=C2 F12400 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.1081 O=C1NCCC2=C1C=CN=C2 D84896 [1,0,0,1,0,0|1,0,0]=3 84 B12R2.18 CN1CC2=C(C=CC=N2)C1=O F18170 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [1,0,0,1,0,0|1,0,0]=3 86 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 F50994 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [1,0,0,1,0,0|0,0,1]=3 88 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [1,0,0,1,0,0|0,0,1]=3 89 B12R2.32 CNC1CC2=C(C=CC=C2)C1 D86972 [1,0,0,1,0,0|0,0,1]=3 90 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [0,0,0,1,1,0|2,0,0]=4 91 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,0,0,1,1,0|0,0,0]=2 92 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [0,0,0,1,1,0|2,0,0]=4 93 B12R2.2028 O=C1N[C@@H](O)C2=C1C=CC=N2 C14231 [0,0,0,1,1,0|2,0,0]=4 94 B12R2.246 C[C@H]1CC2=C(C=CN2)C(=O)N1 96832 [0,0,0,1,1,0|1,0,0]=3 95 B14R2.21 C[C@H]1CN(C2=CC=CC=C2)CCN1 AT25535 [0,0,0,1,0,1|1,0,1]=4 96 B14R2.52 C[C@@H]1N[C@H](C)CNC2=C1C=CC=C2 94598 [0,0,0,1,0,1|1,0,1]=4 97 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)N1 AT25864 [0,0,0,1,0,1|1,0,1]=4 98 B14R2.101 C1=CC=C(OC[C@H]2CCCN2)C=C1 83642 [0,0,0,1,0,1|1,0,1]=4 99 B14R2.101 C1=CC=C(OC[C@H]2CCCN2)C=C1 C77914 [0,0,0,1,0,1|1,0,1]=4 100 B14R2.101 C1=CC=C(OC[C@H]2CCCN2)C=C1 F15220 [0,0,0,1,0,1|1,0,1]=4 101 B14R2.101 C1=CC=C(OC[C@H]2CCCN2)C=C1 F15232 [0,0,0,1,0,1|1,0,1]=4 102 B14R2.598 O=C1NC(=S)N[C@@H]1C2=CC=CC=C2 D73783 [0,0,0,1,0,1|1,0,1]=4 103 B14R2.72 ClC1=CC=C(C[C@H]2CCCN2)C=C1 S11277 [0,1,0,1,0,0|1,0,1]=4 104 B14R2.28480 O=C1CC2=CC=CC(Br)=C2C(=O)N1 D79933 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.29365 CC1CC2=C(C=CC(F)=C2)C(C)N1 AT19630 [0,1,0,1,0,0|1,0,1]=4 106 B14R2.29365 C[C@H]1CC2=C(C=CC(Br)=C2)C(=O)O1 56658 [0,1,0,1,0,0|1,0,0]=3 107 B14R2.6 C1=CC=C(C[C@H]2CCCCN2)C=C1 29630 [0,1,0,1,0,0|1,0,1]=4 108 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 A50771 [0,1,0,1,0,0|0,0,2]=4 109 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 A50772 [0,1,0,1,0,0|0,0,2]=4 110 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 AR1463 [0,1,0,1,0,0|0,0,2]=4 111 B14R2.19 CN1CN[C@@H](CC2=CC=CC=C2)C1 98527 [0,1,0,1,0,0|1,0,1]=4 112 B14R2.19 O=C1C=C(CC2=CC=CC=C2)CC1 87682 [0,1,0,1,0,0|1,0,1]=4 113 B14R2.19 O=C1CC[C@H](CC2=CC=CC=C2)C1 33453 [0,1,0,1,0,0|1,0,0]=3 114 B14R2.7724 CN1NC(=O)C2=C(C=CC=C2)C1=O D74981 [0,1,0,1,0,0|1,0,1]=4 115 B14R2.768 N=C(N)NC1CC2=C(C=CC=C2)C1 89645 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.8045 O=C1CC2=C(Cl)C=CC=C2C(=O)N1 D80048 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.29496 CC1(C)CC2=C(C=CC=C2)C(N)=N1 D81665 [0,1,0,1,0,0|1,0,1]=4 118 B14R2.29496 C[C@@H]1NC(C)(C)CC2=C1C=CC=C2 F14609 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,0,0,0,1,0|0,0,1]=3 120 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,0,0,0,1,0|0,0,0]=2 121 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,0,0,0,1,0|0,0,0]=2 122 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,0,0,0,1,0|0,0,1]=3 123 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,0,0,0,1,0|0,0,1]=3 124 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,0,0,0,1,0|2,0,0]=4 125 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,0,0,0,1,0|2,0,0]=4