0 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.28 OCCCCC1=NC=CC=C1 30660 [1,0,0,0,0,0|1,0,1]=3 15 B13R1.45 NC(=O)OC[C@H](O)C1=CC=CC=C1 D93074 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72702 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72703 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10513 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 D81437 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.149 CC(=O)NCCC1=CC(O)=CC=C1 F19957 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 AC1695 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 AB9372 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.149 O=C(O)CCNC1=CC=CC(Cl)=N1 D70940 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 29126 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 AC1669 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 AC1671 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.149 O=C(O)C\C=C\C1=CC=CC(F)=C1 21126 [0,1,0,0,0,0|0,0,2]=3 28 B13R1.158 CC(=O)NCCC1=C(Br)C=CC=C1 W16283 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 29554 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.158 O=C(O)CCNC1=C(I)C=CC=C1 C90469 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.158 O=C(O)CCOC1=C(Cl)C=CC=C1 W12416 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 30855 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,1,0,0,0,0|1,0,1]=3 34 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53132 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O 60095 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 72184 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.513 CC(=O)NCCC1=CC=C(N)C=C1 AB10208 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 C77069 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 D86561 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 71386 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.718 CCC(=O)COCC1=CC=CC=C1 C74376 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.718 COC(=O)COCC1=CC=CC=C1 W10280 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.718 COC(=O)NOCC1=CC=CC=C1 W13562 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 67393 [0,1,0,0,0,0|0,0,2]=3 47 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 36094 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 W15207 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 D94805 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 E10194 [0,1,0,0,0,0|1,0,2]=4 51 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 11730 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.3523 CS(=O)(=O)NCCC1=CC=CC=C1 W10643 [0,1,0,0,0,0|2,0,1]=4 53 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [0,0,0,1,0,0|1,0,0]=2 55 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [0,0,0,1,0,0|1,0,0]=2 56 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [0,0,0,1,0,0|1,0,0]=2 57 B13R2.10 O=C1C[C@H](C2=CN=CC=C2)CN1 F13637 [0,0,0,1,0,0|3,0,0]=4 58 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [0,0,0,1,0,0|1,0,0]=2 59 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [0,0,0,1,0,0|2,0,0]=3 60 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P10376 [0,0,0,1,0,0|2,1,0]=4 61 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 T71985 [0,0,0,1,0,0|2,1,0]=4 62 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67223 [0,0,0,1,0,0|2,0,1]=4 63 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [0,0,0,1,0,0|1,0,0]=2 64 B13R2.31 OC1CC(CC2=CC=CC=C2)C1 67206 [0,0,0,1,0,0|1,0,1]=3 65 B13R2.72 NC(=O)[C@@H]1NCC2=C1C=CC=C2 D84861 [0,0,0,1,0,0|2,0,0]=3 66 B13R2.72 O=C(O)[C@@H]1CNC2=C1C=CC=C2 60540 [0,0,0,1,0,0|1,0,0]=2 67 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F31040 [0,0,0,1,0,0|1,0,0]=2 68 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F52104 [0,0,0,1,0,0|1,0,0]=2 69 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 Y10427 [0,0,0,1,0,0|1,0,0]=2 70 B13R2.163 O=C1CCCC2=CC=CN=C2N1 C76110 [0,0,0,1,0,0|2,0,0]=3 71 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,0,0,1,0,0|2,0,0]=3 72 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [0,0,0,1,0,0|2,0,0]=3 73 B13R2.423 O=C(Cl)[C@H]1C[C@@H]1C2=NC=CC=C2 AT21498 [0,0,0,1,0,0|2,0,0]=3 74 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 F52568 [0,0,0,1,0,0|1,0,0]=2 75 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 F52567 [0,0,0,1,0,0|1,0,0]=2 76 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 Y10094 [0,0,0,1,0,0|1,0,0]=2 77 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [0,0,0,1,0,0|0,0,0]=1 78 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [0,0,0,1,0,0|0,0,0]=1 79 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 84939 [0,0,0,1,0,0|1,0,0]=2 80 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 C93523 [0,0,0,1,0,0|1,0,0]=2 81 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT10071 [0,0,0,1,0,0|1,0,0]=2 82 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT22878 [0,0,0,1,0,0|1,0,0]=2 83 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 91719 [0,0,0,1,0,0|1,0,0]=2 84 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 AT22087 [0,0,0,1,0,0|1,0,0]=2 85 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,1,0|1,0,2]=4 86 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,0,0,0,1,0|2,0,1]=4 87 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,0,0,1,0|2,0,0]=3 89 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,0,0,1,0|2,0,0]=3 90 B11R1.91 O=C(O)C#CC1=CC=NC=C1 AC1699 [0,0,0,0,1,0|1,0,2]=4 91 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [0,0,0,0,1,0|1,0,2]=4 92 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [0,0,0,0,1,0|1,0,2]=4 93 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [0,0,0,0,1,0|2,0,0]=3 94 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [0,0,0,0,1,0|2,0,0]=3 95 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [0,0,0,0,1,0|2,0,0]=3 96 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [0,0,0,0,1,0|2,0,0]=3 97 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,0,0,0,1,0|2,0,0]=3 98 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,1,0|0,0,1]=2 99 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,0,0,0,1,0|1,0,1]=3 100 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 D97314 [0,0,0,0,0,1|1,0,0]=2 101 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 50047 [0,0,0,0,0,1|1,0,0]=2 102 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 C76122 [0,0,0,0,0,1|1,0,0]=2 103 B13R1.337 O=C(Cl)CCOCC1=CC=CC=C1 C11140 [0,0,0,0,0,1|1,0,0]=2 104 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 78486 [0,0,0,0,0,1|2,0,0]=3 105 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 AT23512 [0,0,0,0,0,1|0,0,0]=1 106 B13R1.337 O=C(O)CCSSC1=NC=CC=C1 H10128 [0,0,0,0,0,1|2,0,0]=3 107 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 W15237 [0,0,0,0,0,1|0,0,0]=1 108 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 C10829 [0,0,0,0,0,1|1,0,1]=3 109 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [2,0,0,0,0,0|1,0,1]=4 110 B10R1.17 CCCOC1=CC=CC=C1 C75927 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.17 NCCCC1=CC=CN=C1 31799 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.17 NCCCC1=CC=NC=C1 S12068 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.17 OCCOC1=CN=CC=C1 D86242 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.17 SCCCC1=CC=NC=C1 F18251 [2,0,0,0,0,0|1,1,0]=4 117 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [2,0,0,0,0,0|1,0,1]=4 118 B12R1.1 CCCCCC1=CC=C(F)C=C1 A11207 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C13856 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 VT1079 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.1 NCCCCC1=CC=C(O)C=C1 P16850 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.1 OCCCOC1=CC=C(Br)C=C1 88164 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.1 OCCNCC1=CC=C(F)C=C1 C80019 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.8 C=CCCOCC1=CC=CC=C1 AC6656 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.8 N#CCCCOC1=CC=CC=C1 20767 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.8 NCCCCOC1=CC=CC=C1 AB7703 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.8 OCCCC#CC1=CC=CC=C1 T72149 [1,1,0,0,0,0|0,0,2]=4 130 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [1,1,0,0,0,0|0,0,1]=3 133 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [1,1,0,0,0,0|0,0,1]=3 134 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.267 N#CCCCC1=C(F)C=CC=C1 20843 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.267 OCCCCC1=C(Br)C=CC=C1 21173 [1,1,0,0,0,0|0,0,1]=3 139 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,1,0,0,1,0|1,0,0]=3 140 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,1,0,0,1,0|2,0,0]=4 141 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [0,1,0,0,1,0|1,0,0]=3 142 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [0,1,0,0,1,0|1,0,0]=3 143 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [0,1,0,0,1,0|2,0,0]=4 144 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [0,1,0,0,1,0|1,0,0]=3 145 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [0,1,0,0,1,0|0,0,2]=4 146 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [0,1,0,0,1,0|0,0,2]=4 147 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,1,0,0,1,0|0,0,0]=2 148 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [0,1,0,0,1,0|1,0,0]=3 149 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,1,0,0,1,0|1,0,0]=3 150 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [0,1,0,0,1,0|1,0,0]=3 151 B12R1.43 C[C@@H](CC1=NC=CC=N1)C(=O)O W18320 [0,1,0,0,1,0|2,0,0]=4 152 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,1,0,0,1,0|1,0,0]=3 153 B12R1.43 C[C@H](OC1=NC=CC=C1)C(=O)O W18936 [0,1,0,0,1,0|2,0,0]=4 154 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,1,0,0,1,0|0,0,0]=2 155 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [0,1,0,0,1,0|1,0,0]=3 156 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,1,0,0,1,0|1,0,1]=4 157 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,1,0,0,1,0|0,0,0]=2 158 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,1,0,0,1,0|1,0,0]=3 159 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,1,0,0,1,0|0,0,0]=2 160 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,1,0,0,1,0|0,0,0]=2 161 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,1,0,0,1,0|1,0,0]=3 162 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [0,1,0,0,1,0|1,0,0]=3 163 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [0,1,0,0,1,0|1,0,0]=3 164 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [0,1,0,0,1,0|1,0,0]=3 165 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,1,0,0,1,0|0,0,2]=4 167 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [0,1,0,0,1,0|1,0,0]=3 169 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [0,1,0,0,1,0|1,0,0]=3 170 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [0,1,0,0,1,0|1,0,0]=3 171 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [0,1,0,0,1,0|1,0,0]=3 172 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,1,0,0,1,0|1,0,0]=3 173 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [0,1,0,0,1,0|1,0,0]=3 175 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [0,1,0,0,1,0|1,0,0]=3 176 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [0,1,0,0,1,0|1,0,0]=3 177 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [0,1,0,0,1,0|0,0,2]=4 178 B12R1.226 O=C(O)C#CC1=CC=CC(F)=C1 W19721 [0,1,0,0,1,0|0,0,2]=4 179 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 73058 [0,1,0,0,1,0|1,0,0]=3 180 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [0,1,0,0,1,0|0,0,2]=4 181 B14R1.148 O=C(O)CCCCC1=CC=CC(Br)=C1 21501 [0,1,0,0,0,1|0,0,0]=2 182 B14R1.420 C=C(CCCC(=O)O)C1=CC=CC=C1 D94335 [0,1,0,0,0,1|0,0,0]=2 183 B14R1.420 N[C@@H](CCCC(=O)O)C1=CC=CC=C1 Y10467 [0,1,0,0,0,1|0,0,0]=2 184 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 A10971 [0,1,0,0,0,1|2,0,0]=4 185 B14R1.677 O=C(O)CCCCC1=CC=C(Cl)C=C1 D80816 [0,1,0,0,0,1|0,0,0]=2 186 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 54011 [0,1,0,0,0,1|0,0,0]=2 187 B14R1.677 O=C(O)CC\C=C\C1=CC=C(F)C=C1 71739 [0,1,0,0,0,1|0,0,1]=3 188 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 62361 [0,1,0,0,0,1|0,0,0]=2 189 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O D86826 [0,1,0,0,0,1|0,0,0]=2 190 B14R1.3331 NS(=O)(=O)CCOCC1=CC=CC=C1 91994 [0,1,0,0,0,1|1,0,1]=4 191 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O A50121 [0,1,0,0,0,1|0,0,1]=3 192 B14R1.6449 O=C(O)[C@@H](O)CCCC1=CC=CC=C1 W13072 [0,1,0,0,0,1|0,0,0]=2 193 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 85225 [0,1,0,0,0,1|0,0,0]=2 194 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(Cl)=C1 AB8927 [0,2,0,0,0,0|0,0,1]=3 195 B14R1.160 O=C(O)CCC(=O)C1=C(F)C=CC=C1 AB3820 [0,2,0,0,0,0|0,0,1]=3 196 B14R1.160 O=C(O)CNC(=O)C1=C(Cl)C=CC=C1 A11069 [0,2,0,0,0,0|1,0,1]=4 197 B14R1.540 NC(=O)OC[C@H](CO)C1=CC=CC=C1 P16881 [0,2,0,0,0,0|2,0,0]=4 198 B14R1.678 C=C(CCC(=O)O)C1=CC=C(C)C=C1 D94332 [0,2,0,0,0,0|0,0,1]=3 199 B14R1.678 CC1=CC=C([C@@H](N)CCC(=O)O)C=C1 N10764 [0,2,0,0,0,0|0,0,0]=2 200 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 F31366 [0,2,0,0,0,0|0,0,1]=3 201 B14R1.687 CC(=O)NCCC1=CC(O)=C(O)C=C1 D70944 [0,2,0,0,0,0|2,0,0]=4 202 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 77807 [0,2,0,0,0,0|0,0,0]=2 203 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 77779 [0,2,0,0,0,0|0,0,0]=2 204 B14R1.161 N[C@@H](CCC1=C(O)C=CC=C1)C(=O)O W18942 [0,2,0,0,0,0|0,0,0]=2 205 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 77784 [0,2,0,0,0,0|0,0,0]=2 206 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 FD10080 [0,2,0,0,0,0|0,0,0]=2 207 B14R1.4464 O=C(O)CCCC1=C(Cl)C=C(Cl)C=C1 C76385 [0,2,0,0,0,0|0,0,0]=2 208 B14R1.4464 O=C(O)CCCC1=C(F)C=C(F)C=C1 20760 [0,2,0,0,0,0|0,0,0]=2 209 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O 51920 [0,2,0,0,0,0|0,0,0]=2 210 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O C16095 [0,2,0,0,0,0|0,0,0]=2 211 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 C75463 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 FD10040 [0,2,0,0,0,0|0,0,0]=2 213 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 F15997 [0,2,0,0,0,0|0,0,0]=2 214 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 AC1733 [0,2,0,0,0,0|0,0,0]=2 215 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 F12119 [0,2,0,0,0,0|0,0,0]=2 216 B14R1.698 O=C(O)CC(=O)NC1=CC=C(F)C=C1 11919 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O D83280 [0,2,0,0,0,0|0,0,0]=2 218 B14R1.756 COC(=O)[C@@H](N)\C=C\C1=CC=CC=C1 59851 [0,2,0,0,0,0|0,0,2]=4 219 B14R1.756 COC(=O)[C@H](C)OCC1=CC=CC=C1 C12989 [0,2,0,0,0,0|1,0,0]=3 220 B14R1.13 COC(=O)CCCC1=CC=C(F)C=C1 D84523 [0,2,0,0,0,0|0,0,0]=2 221 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 34043 [0,2,0,0,0,0|0,0,0]=2 222 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 32658 [0,2,0,0,0,0|1,0,0]=3 223 B14R1.13 COC(=O)C\C=C\C1=CC=C(F)C=C1 D84531 [0,2,0,0,0,0|0,0,2]=4 224 B14R1.13 COC(=O)\C=C\CC1=CC=C(O)C=C1 66203 [0,2,0,0,0,0|0,0,2]=4 225 B14R1.520 CCOC(=O)CNCC1=NC=CC=C1 T72721 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.255 O=C(O)CCCCN1C=CC=C1 W18290 [0,0,1,1,0,0|1,0,1]=4 227 B12R2.1 OC[C@H]1CNC2=C1C=CC=C2 AB9481 [1,0,0,1,0,0|1,0,1]=4 228 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [1,0,0,1,0,0|1,0,1]=4 229 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [1,0,0,1,0,0|1,0,1]=4 230 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [1,0,0,1,0,0|1,0,1]=4 231 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [1,0,0,1,0,0|2,0,0]=4 234 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,1,0,0|1,0,1]=4 235 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [1,0,0,1,0,0|1,0,0]=3 236 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [1,0,0,1,0,0|0,0,0]=2 237 B12R2.27 O=CC1CC1C2=CC=NC=C2 30186 [1,0,0,1,0,0|1,0,0]=3 238 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [1,0,0,1,0,0|0,0,1]=3 239 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [1,0,0,1,0,0|0,0,1]=3 240 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [1,0,0,1,0,0|0,0,1]=3 241 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [1,0,0,1,0,0|1,0,1]=4 242 B12R2.41 C1=CC2=C(C=C1)OCCCN2 VT1052 [1,0,0,1,0,0|1,0,1]=4 243 B12R2.41 C1=CC2=C(C=C1)OCCNC2 C73376 [1,0,0,1,0,0|1,0,1]=4 244 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [1,0,0,1,0,0|0,0,2]=4 245 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [1,0,0,1,0,0|1,0,0]=3 246 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [1,0,0,1,0,0|1,0,0]=3 247 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [1,0,0,1,0,0|1,0,0]=3 248 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [1,0,0,1,0,0|2,0,0]=4 249 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [1,0,0,1,0,0|2,0,0]=4 250 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [1,0,0,1,0,0|2,0,0]=4 251 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [1,0,0,1,0,0|2,0,0]=4 252 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [1,0,0,1,0,0|0,0,1]=3 253 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [1,0,0,1,0,0|0,0,1]=3 254 B12R2.1081 O[C@H]1CCCC2=C1C=CN=C2 53689 [1,0,0,1,0,0|1,0,1]=4 255 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [1,0,0,1,0,0|1,0,1]=4 256 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [1,0,0,1,0,0|1,0,1]=4 257 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [1,0,0,1,0,0|1,0,1]=4 258 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [1,0,0,1,0,0|2,0,0]=4 259 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,0,0,1,1,0|1,0,1]=4 260 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,0,0,1,1,0|1,0,1]=4 261 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,1,0|2,0,0]=4 262 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 P10564 [0,0,0,1,1,0|2,0,0]=4 263 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,0,0,1,1,0|2,0,0]=4 264 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,1,1,0|2,0,0]=4 265 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,0,0,1,1,0|1,0,1]=4 266 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,0,0,1,1,0|1,0,1]=4 267 B14R2.2 CC(=O)O[C@H]1CCC2=CC=CN=C21 N12355 [0,0,0,1,0,1|2,0,0]=4 268 B14R2.2 O=C(O)C[C@H]1CCC2=C1C=CC=C2 20582 [0,0,0,1,0,1|0,0,0]=2 269 B14R2.19 C=C1CCN(CC2=CC=CC=C2)C1 W16256 [0,0,0,1,0,1|2,0,0]=4 270 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56487 [0,0,0,1,0,1|1,0,0]=3 271 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56489 [0,0,0,1,0,1|1,0,0]=3 272 B14R2.21 CC1CNCC(C2=CC=CC=C2)O1 F17620 [0,0,0,1,0,1|1,0,1]=4 273 B14R2.21 O=C1CCO[C@H](C2=CC=CC=C2)C1 25492 [0,0,0,1,0,1|1,0,0]=3 274 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 P13161 [0,0,0,1,0,1|1,0,1]=4 275 B14R2.3018 C1=CC=C(COCC[C@H]2CO2)C=C1 A10556 [0,0,0,1,0,1|1,0,1]=4 276 B14R2.31359 O=C(O)[C@@H]1CCOC2=C1C=CC=C2 F20640 [0,0,0,1,0,1|0,0,0]=2 277 B14R2.31359 O=C(O)[C@@H]1CNCC2=C1C=CC=C2 F19642 [0,0,0,1,0,1|0,0,0]=2 278 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 66508 [0,0,0,1,0,1|0,0,0]=2 279 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 66509 [0,0,0,1,0,1|0,0,0]=2 280 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77666 [0,1,0,1,0,0|1,0,0]=3 281 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P17213 [0,1,0,1,0,0|1,0,0]=3 282 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 C75481 [0,1,0,1,0,0|1,0,0]=3 283 B14R2.68 O=C1CO[C@H](C2=CC=CC=C2)CN1 O11626 [0,1,0,1,0,0|1,0,0]=3 284 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 84300 [0,1,0,1,0,0|1,0,1]=4 285 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 P10220 [0,1,0,1,0,0|1,0,1]=4 286 B14R2.25733 O=C1O[C@@H](C(=O)O)C2=C1C=CC=C2 D87638 [0,1,0,1,0,0|1,0,1]=4 287 B14R2.22 CC1=CC=CC([C@@H]2CNC(=O)C2)=C1 58201 [0,1,0,1,0,0|2,0,0]=4 288 B14R2.22 CC1=CC=CC([C@H]2CCC(=O)C2)=C1 53462 [0,1,0,1,0,0|1,0,0]=3 289 B14R2.22 NC1=CC=CC([C@@H]2CNC(=O)C2)=C1 SC1181 [0,1,0,1,0,0|2,0,0]=4 290 B14R2.22 O=C1C[C@H](C2=CC=CC(Br)=C2)CN1 SC1221 [0,1,0,1,0,0|2,0,0]=4 291 B14R2.300 NC1=NC2=C(C=N1)[C@H](C(=O)O)CC2 D79284 [0,1,0,1,0,0|2,0,0]=4 292 B14R2.300 O=C(O)[C@@H]1CCC2=C1C=CC(Br)=C2 82177 [0,1,0,1,0,0|0,0,0]=2 293 B14R2.300 O=C(O)[C@@H]1CCC2=C1C=CC(Cl)=C2 P20560 [0,1,0,1,0,0|0,0,0]=2 294 B14R2.390 NC1=C2NC(=O)CCCC2=CC=C1 P20083 [0,1,0,1,0,0|1,0,0]=3 295 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 I10673 [0,1,0,1,0,0|1,0,0]=3 296 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 Y10404 [0,1,0,1,0,0|0,0,0]=2 297 B14R2.7974 O=C1CCCC2=C(C=CC(Br)=C2)N1 P19143 [0,1,0,1,0,0|1,0,0]=3 298 B14R2.7974 O=C1COCC2=C(C=CC(Br)=C2)N1 W19048 [0,1,0,1,0,0|2,0,0]=4 299 B14R2.256 CC1=C([C@@H]2CNC(=O)C2)C=CC=C1 58204 [0,1,0,1,0,0|2,0,0]=4 300 B14R2.256 O=C1CC[C@@H](C2=C(Br)C=CC=C2)N1 74691 [0,1,0,1,0,0|1,0,0]=3 301 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 53466 [0,1,0,1,0,0|1,0,0]=3 302 B14R2.256 O=C1C[C@H](C2=C(Br)C=CC=C2)CN1 F53811 [0,1,0,1,0,0|2,0,0]=4 303 B14R2.256 O=C1C[C@H](C2=C(Cl)C=CC=C2)CN1 65781 [0,1,0,1,0,0|2,0,0]=4 304 B14R2.256 O=C1C[C@H](C2=C(F)C=CC=C2)CN1 58206 [0,1,0,1,0,0|2,0,0]=4 305 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 24899 [0,1,0,1,0,0|0,0,2]=4 306 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 25903 [0,1,0,1,0,0|0,0,2]=4 307 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 C76425 [0,1,0,1,0,0|0,0,2]=4 308 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66619 [0,1,0,1,0,0|0,0,0]=2 309 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66629 [0,1,0,1,0,0|0,0,0]=2 310 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50355 [0,1,0,1,0,0|0,0,0]=2 311 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 60392 [0,1,0,1,0,0|1,0,0]=3 312 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 34030 [0,1,0,1,0,0|0,0,0]=2 313 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 Y10099 [0,1,0,1,0,0|0,0,0]=2 314 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(Cl)C=CC=C2 AC9714 [0,1,0,1,0,0|0,0,0]=2 315 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(F)C=CC=C2 AC9747 [0,1,0,1,0,0|0,0,0]=2 316 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2N C73313 [0,1,0,1,0,0|2,0,0]=4 317 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2O 75096 [0,1,0,1,0,0|2,0,0]=4 318 B14R2.8032 O=C(O)[C@@H]1CCC2=C(Br)C=CC=C21 D84859 [0,1,0,1,0,0|0,0,0]=2 319 B14R2.28454 O=C1CCCC2=C(Br)C=CC=C2N1 N13123 [0,1,0,1,0,0|1,0,0]=3 320 B14R2.598 O=C1NC(=O)[C@@H](C2=CC=CC=C2)O1 D81737 [0,1,0,1,0,0|1,0,1]=4 321 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 P10844 [0,1,0,1,0,0|2,0,0]=4 322 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O C11953 [0,1,0,1,0,0|2,0,0]=4 323 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 53464 [0,1,0,1,0,0|1,0,0]=3 324 B14R2.20 O=C1CC[C@@H](C2=CC=C(Br)C=C2)N1 O11290 [0,1,0,1,0,0|1,0,0]=3 325 B14R2.20 O=C1CC[C@@H](C2=CC=C(O)C=C2)N1 C73927 [0,1,0,1,0,0|1,0,0]=3 326 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65772 [0,1,0,1,0,0|2,0,0]=4 327 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 65720 [0,1,0,1,0,0|2,0,0]=4 328 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 65771 [0,1,0,1,0,0|2,0,0]=4 329 B14R2.20 O=C1NC[C@@H](C2=CC=C(Br)C=C2)O1 W10423 [0,1,0,1,0,0|1,0,0]=3 330 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 11502 [0,1,0,1,0,0|2,0,0]=4 331 B14R2.380 O=C1CCCC2=C(C=C(Br)C=C2)N1 N13010 [0,1,0,1,0,0|1,0,0]=3 332 B14R2.380 O=C1CCNC2=C(C=C(Cl)C=C2)N1 W13171 [0,1,0,1,0,0|2,0,0]=4 333 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 83820 [0,1,0,1,0,0|0,0,0]=2 334 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 H11100 [0,1,0,1,0,0|0,0,0]=2 335 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 W12440 [0,1,0,1,0,0|0,0,0]=2 336 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(O)C=C2 P15790 [0,1,0,1,0,0|0,0,0]=2 337 B14R2.5816 O=C(O)[C@@H]1CCC2=C1C=C(Br)C=C2 A11807 [0,1,0,1,0,0|0,0,0]=2 338 B14R2.5816 O=C(O)[C@@H]1CCC2=C1C=C(Cl)C=C2 O11570 [0,1,0,1,0,0|0,0,0]=2 339 B14R2.279 NC1C2=C(C=CC=C2)CCCC1O F14464 [0,1,0,1,0,0|1,0,1]=4 340 B14R2.279 N[C@@H]1C(=O)NCCC2=C1C=CC=C2 C15419 [0,1,0,1,0,0|2,0,0]=4 341 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 P10066 [0,1,0,1,0,0|2,0,0]=4 342 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,2,0|2,0,0]=4 343 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,2,0|2,0,0]=4 344 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,0,0,0,2,0|2,0,0]=4 345 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,0,0,0,2,0|1,1,0]=4 346 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [0,0,0,0,2,0|2,0,0]=4 347 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,0,0,0,2,0|1,0,0]=3 348 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,0,0,0,2,0|1,0,0]=3 349 B10R1.66 O=C(O)CCC1=CN=CN1 28308 [0,0,0,0,2,0|2,0,0]=4 350 B10R1.66 O=C(O)CCC1=CN=CS1 97779 [0,0,0,0,2,0|2,0,0]=4 351 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [0,0,0,0,2,0|1,0,0]=3 352 B10R1.66 O=C(O)CCC1=CNN=C1 71939 [0,0,0,0,2,0|2,0,0]=4 353 B10R1.66 O=C(O)CCC1=NC=CN1 69195 [0,0,0,0,2,0|2,0,0]=4 354 B10R1.66 O=C(O)CCC1=NC=CN1 69196 [0,0,0,0,2,0|2,0,0]=4 355 B10R1.66 O=C(O)CCC1=NC=CS1 69864 [0,0,0,0,2,0|2,0,0]=4 356 B10R1.66 O=C(O)CCN1C=CC=N1 30854 [0,0,0,0,2,0|2,0,0]=4