0 B12R1.118 CCN(CC)CC1=CC=CC=C1 D72507 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 CCC(=O)CC1=CC=CC=C1 75226 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 D94692 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.40 CN[C@@H](C)CC1=NC=CC=C1 D82185 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.40 COC(=O)CC1=CC=CC=C1 D77850 [1,0,0,0,0,0|0,0,2]=3 5 B11R1.40 COC(=O)CC1=CC=NC=C1 28936 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.40 COC(=O)CC1=CN=CC=C1 AB11862 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.40 COC(=O)CC1=NC=CC=C1 63412 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.40 COC(=O)NC1=CC=CC=C1 D70137 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.40 COC(=O)OC1=CC=CC=C1 D71100 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 F17120 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.40 C[C@H](CO)CC1=CC=CC=C1 D86956 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR3947 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 26243 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 26245 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 F10667 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O 34331 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 62832 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 FD1007 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 FD7203 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 CL2811 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 AR1052 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 AR1412 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.12 CCC(CC)C1=NC=CC=C1 D83598 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.12 COB(OC)C1=CC=CC=C1 D97210 [0,0,0,0,1,0|1,0,0]=2 25 B11R1.12 COC(OC)C1=CC=CC=C1 D70174 [0,0,0,0,1,0|0,0,0]=1 26 B11R1.12 COC(OC)C1=NC=NC=C1 BL001003 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.12 COP(OC)C1=CC=CC=C1 F17185 [0,0,0,0,1,0|1,0,0]=2 28 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 S11979 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.84 COC(CN1C=CC=N1)OC D81465 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.17 BrCCCC1=CC=CC=C1 D78162 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 C#CCCC1=CC=CC=C1 D74342 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 CCCCC1=CC=CC=C1 H11923 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.17 CCCCC1=CC=CN=C1 F20500 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.17 CCCC[N+]1=CC=CC=C1 C93409 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.17 CCCC[N+]1=CC=CC=C1 C93435 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.17 CCCC[N+]1=CC=CC=C1 C93442 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.17 CCCC[N+]1=CC=CC=C1 C93518 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.17 CCCNC1=CC=CC=C1 D91987 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.17 CCOCC1=CC=CC=C1 F30115 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.17 CNCCC1=CC=CC=C1 AR1058 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.17 CNCCC1=CC=NC=C1 64165 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 CNCCC1=CC=NC=C1 AR3935 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 CNCCC1=NC=CC=C1 23018 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 CNCCC1=NC=CC=C1 AR1013 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.17 CNCCC1=NC=CC=C1 D87714 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.17 COCSC1=CC=CC=C1 D91464 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.17 ClCCCC1=CC=CC=C1 S12344 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 N#CCCC1=CC=CC=C1 D91984 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.17 NCCCC1=CC=CC=C1 S10208 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.17 O=CCCC1=CC=CC=C1 C10629 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.17 OCCCC1=CC=CC=C1 AC1807 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.18 CC(C)=CC1=CC=CC=C1 W16227 [2,0,0,0,0,0|0,0,2]=4 53 B10R1.18 CC(C)NC1=CC=CC=C1 D70367 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.18 CC(C)OC1=CC=CC=C1 I10258 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.18 CC(C)OC1=CN=CC=C1 N10666 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.18 CC(C)OC1=NC=CC=C1 D82294 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.18 C[C@H](O)CC1=CC=CC=C1 D71014 [2,0,0,0,0,0|0,0,0]=2 58 B10R1.18 C[Si](C)CC1=CC=CC=C1 D89172 [2,0,0,0,0,0|0,1,0]=3 59 B10R1.18 O=C(O)CC1=CC=CC=C1 A12791 [2,0,0,0,0,0|0,0,2]=4 60 B12R1.32 CCOC(=O)CC1=CC=CC=C1 D77783 [1,1,0,0,0,0|0,0,2]=4 61 B12R1.32 CN(CCN)CC1=CC=CC=C1 65355 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.32 CN(CCO)CC1=CC=CC=C1 D70360 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.34 COC(=O)[C@H](Br)C1=CC=CC=C1 S12168 [1,1,0,0,0,0|0,0,2]=4 64 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W13540 [1,1,0,0,0,0|0,0,2]=4 65 B12R1.34 COC(=O)[C@H](Cl)C1=CC=CC=C1 D81981 [1,1,0,0,0,0|0,0,2]=4 66 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 39409 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 E70004 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 F14561 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 D70330 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 FD1304 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 FD1307 [1,1,0,0,0,0|0,0,2]=4 72 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 AB11569 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC1610 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1244 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1250 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 AB3932 [1,1,0,0,0,0|0,0,2]=4 77 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 76662 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 76653 [1,1,0,0,0,0|0,0,2]=4 79 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 AB7526 [1,1,0,0,0,0|0,0,2]=4 80 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 AC6509 [1,1,0,0,0,0|0,0,2]=4 81 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 50001 [1,1,0,0,0,0|0,0,2]=4 82 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 AB7450 [1,1,0,0,0,0|0,0,2]=4 83 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 35758 [1,1,0,0,0,0|0,0,2]=4 84 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 35769 [1,1,0,0,0,0|0,0,2]=4 85 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CL8810 [1,1,0,0,0,0|0,0,2]=4 86 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 AB3965 [1,1,0,0,0,0|0,0,2]=4 87 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 AB3931 [1,1,0,0,0,0|0,0,2]=4 88 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 AB9674 [1,1,0,0,0,0|0,0,2]=4 89 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 22081 [1,1,0,0,0,0|0,0,2]=4 90 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 P16659 [1,1,0,0,0,0|0,0,2]=4 91 B12R1.194 CC[C@](C)(O)CC1=CC=CC=C1 D91562 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 AB3930 [1,1,0,0,0,0|0,0,2]=4 93 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 D74700 [1,1,0,0,0,0|0,0,2]=4 94 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 29411 [1,1,0,0,0,0|0,0,2]=4 95 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 AB7523 [1,1,0,0,0,0|0,0,2]=4 96 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 A10071 [1,1,0,0,0,0|0,0,2]=4 97 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 D84237 [0,1,0,0,1,0|0,0,0]=2 98 B12R1.13 COC(OC)C1=CC(Br)=CN=C1 D94544 [0,1,0,0,1,0|1,0,0]=3 99 B12R1.13 COC(OC)C1=CC(N)=NC=C1 38119 [0,1,0,0,1,0|1,0,0]=3 100 B12R1.13 COC(OC)C1=NC(C)=NC=C1 24042 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.13 COC(OC)C1=NC(N)=NC=C1 23945 [0,1,0,0,1,0|2,0,0]=4 102 B12R1.243 COC(OC)C1=C(Br)C=CC=C1 D89169 [0,1,0,0,1,0|0,0,0]=2 103 B12R1.475 COP(=O)(OC)C1=CC=CC=C1 D77928 [0,1,0,0,1,0|1,0,0]=3 104 B12R1.475 CO[Si](C)(OC)C1=CC=CC=C1 AC7801 [0,1,0,0,1,0|0,1,0]=3 105 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 D95249 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 28625 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 63178 [0,1,0,0,1,0|2,0,0]=4 108 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 63179 [0,1,0,0,1,0|2,0,0]=4 109 B14R1.529 COC(CNC1=NC=C(Br)C=N1)OC 30035 [0,1,0,0,0,1|2,0,0]=4 110 B14R1.494 CCOC(CC1=CC=CC=C1)OCC D93518 [0,2,0,0,0,0|0,0,0]=2 111 B14R1.494 CCOC(OCC)OC1=CC=CC=C1 D91829 [0,2,0,0,0,0|1,0,0]=3 112 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O 75581 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.18 C[C@H]1CC2=C(C=CC=C2)N1N D97185 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 20134 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 20142 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O P15222 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 AC1627 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 20236 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 71053 [1,0,0,1,0,0|0,0,2]=4 120 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 94674 [1,0,0,1,0,0|1,0,0]=3 121 B12R2.32 CNC1CC2=C(C=CC=C2)C1 A11850 [1,0,0,1,0,0|1,0,0]=3 122 B12R2.32 OCC1CC2=C(C=CC=C2)C1 83148 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.2 C1=CC=C(C2=NCCO2)C=C1 F19688 [0,0,0,1,1,0|1,0,1]=4 124 B12R2.2 C1=CC=C(C2SCCS2)C=C1 65391 [0,0,0,1,1,0|0,2,0]=4 125 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23433 [0,0,0,1,1,0|2,0,0]=4 126 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59897 [0,0,0,1,1,0|2,0,0]=4 127 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AR1028 [0,0,0,1,1,0|2,0,0]=4 128 B12R2.2 C1=CC=C([C@H]2NCCS2)C=C1 S12217 [0,0,0,1,1,0|1,1,0]=4 129 B12R2.2 C1=CN=C(C2OCCO2)C=C1 D84589 [0,0,0,1,1,0|1,0,0]=3 130 B14R2.101 C1=CC=C(CC[C@H]2CCCN2)C=C1 AR1055 [0,0,0,1,0,1|2,0,0]=4 131 B14R2.101 C1=CC=C(NC[C@H]2CCCN2)C=C1 T71165 [0,0,0,1,0,1|2,0,0]=4 132 B14R2.6 C1=CC=C(CC2CCNCC2)C=C1 56720 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.6 C1=CC=C(C[C@H]2CCCNC2)C=C1 29480 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.6 C1=CC=C(C[C@H]2CNCCN2)C=C1 53934 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CO1 D83358 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 AC1347 [1,0,0,0,1,0|1,0,1]=4 137 B10R1.15 CC[C@H](N)C1=CC=CC=C1 A11524 [1,0,0,0,1,0|2,0,0]=4 138 B10R1.15 CC[C@H](N)C1=CC=CC=C1 F11436 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.15 CC[C@H](O)C1=CC=CC=C1 S11247 [1,0,0,0,1,0|1,0,0]=3 140 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 30941 [1,0,0,0,1,0|1,0,0]=3 141 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 D82152 [1,0,0,0,1,0|1,0,0]=3 142 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 N12133 [1,0,0,0,1,0|1,0,0]=3 143 B10R1.15 COC(=N)C1=CC=CC=C1 77505 [1,0,0,0,1,0|1,0,1]=4 144 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 N11940 [1,0,0,0,1,0|1,0,1]=4 145 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 H11244 [1,0,0,0,1,0|2,0,0]=4 146 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 23817 [1,0,0,0,1,0|2,0,0]=4 147 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 28511 [1,0,0,0,1,0|2,0,0]=4 148 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 65652 [1,0,0,0,1,0|2,0,0]=4 149 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AC1145 [1,0,0,0,1,0|2,0,0]=4 150 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 F13480 [1,0,0,0,1,0|2,0,0]=4 151 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 F13479 [1,0,0,0,1,0|2,0,0]=4 152 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 A11559 [1,0,0,0,1,0|2,0,0]=4 153 B10R1.15 NC[C@H](O)C1=CC=CC=C1 52103 [1,0,0,0,1,0|2,0,0]=4 154 B10R1.15 NC[C@H](O)C1=CC=CC=C1 66448 [1,0,0,0,1,0|2,0,0]=4 155 B10R1.15 NC[C@H](O)C1=CC=CC=C1 FD1187 [1,0,0,0,1,0|2,0,0]=4 156 B10R1.15 NC[C@H](O)C1=CC=CC=C1 FD1190 [1,0,0,0,1,0|2,0,0]=4 157 B10R1.15 OC[C@H](O)C1=CC=CC=C1 FD10472 [1,0,0,0,1,0|2,0,0]=4 158 B10R1.15 OC[C@H](O)C1=CC=CC=C1 FD1181 [1,0,0,0,1,0|2,0,0]=4 159 B10R1.15 OC[C@H](O)C1=CC=CC=C1 FD1184 [1,0,0,0,1,0|2,0,0]=4 160 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 34752 [1,0,0,0,1,0|2,0,0]=4 161 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 D83182 [1,0,0,0,1,0|2,0,0]=4 162 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 D89568 [1,0,0,0,1,0|2,0,0]=4 163 B10R1.9 COC(OC)C1=NNC=C1 W17403 [0,0,0,0,2,0|2,0,0]=4 164 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC8659 [1,0,0,0,0,1|0,0,2]=4 165 B12R1.27 COC(=O)COC1=CC=CC=C1 D70332 [1,0,0,0,0,1|0,0,2]=4 166 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 79303 [1,0,0,0,0,1|2,0,0]=4 167 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 W12270 [1,0,0,0,0,1|2,0,0]=4 168 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 D92114 [1,0,0,0,0,1|2,0,0]=4 169 B14R1.546 COC(CNCC1=CC=CC=C1)OC W10005 [0,0,0,0,0,2|0,0,0]=2 170 B14R1.546 COC(COCC1=CC=CC=C1)OC 77738 [0,0,0,0,0,2|0,0,0]=2 171 B14R1.546 COC(\C=N\CC1=CC=CC=C1)OC D83859 [0,0,0,0,0,2|0,0,0]=2