0 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [1,0,0,0,0,0|0,0,2]=3 21 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,0,0,0,0,0|0,0,2]=3 23 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,0,0,0,0,0|0,0,0]=1 30 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,0,0,0,0,0|0,0,0]=1 31 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,0,0,0,0,0|0,0,0]=1 33 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,0,0,0,0,0|0,0,0]=1 34 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,0,0,0,0,0|0,0,0]=1 35 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.17 CCCCC1=CC=NC=C1 B50306 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 CCNCC1=NC=CC=C1 P46970 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.17 CNCCC1=CC=CN=C1 M46974 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.17 NCCCC1=CC=NC=C1 P46966 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.17 OCCCC1=CC=NC=C1 P46905 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [1,0,0,0,0,0|2,0,1]=4 72 B12R1.16 C=CC[C@@H](N)C1=CC=C(F)C=C1 F54124 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 F52671 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 H49931 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 A52258 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A50260 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A63764 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 A50262 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.17 C=CC[C@H](N)C1=CC=CC(Cl)=C1 C62600 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.30 C#CCN[C@@H](C)C1=CC=CC=C1 P54604 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [0,1,0,0,0,0|1,0,1]=3 85 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [0,1,0,0,0,0|1,0,2]=4 88 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [0,1,0,0,0,0|1,0,1]=3 91 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 M54755 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [0,1,0,0,0,0|2,0,0]=3 111 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 P8797 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.2 C1=CC=C(N2CCCC2)C=C1 P52876 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [0,0,0,1,0,0|2,0,0]=3 114 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [0,0,0,1,0,0|2,0,0]=3 115 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [0,0,0,1,0,0|2,0,0]=3 116 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [0,0,0,1,0,0|0,0,0]=1 119 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [0,0,0,1,0,0|0,0,0]=1 120 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [0,0,0,1,0,0|0,0,0]=1 121 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [0,0,0,1,0,0|0,0,0]=1 122 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 P14241 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P60923 [0,0,0,1,0,0|1,0,0]=2 124 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P64140 [0,0,0,1,0,0|1,0,0]=2 125 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 P52249 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 P67466 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.2 C1=CN=CC([C@H]2CCCN2)=C1 P52248 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [0,0,0,1,0,0|2,0,0]=3 129 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.22 OC1CN(C2=CC=CC=C2)C1 H14395 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,0,0,1,0,0|2,0,0]=3 133 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P69467 [0,0,0,1,0,0|2,0,0]=3 134 B12R2.116 NC1(C2=CC=CC=C2)COC1 P7034 [0,0,0,1,0,0|2,0,0]=3 135 B12R2.116 OC1(C2=CC=CC=C2)CNC1 H11459 [0,0,0,1,0,0|1,0,0]=2 136 B12R2.116 OC1(C2=CC=CC=C2)COC1 P1182 [0,0,0,1,0,0|2,0,0]=3 137 B12R2.1081 CN1CCNC2=C1C=CC=C2 M52251 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,0,0,1,0,0|2,0,0]=3 139 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,0,0,1,0,0|2,0,0]=3 141 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,0,0,1,0,0|2,0,0]=3 142 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,0,0,1,0,0|0,0,0]=1 143 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,0,0,1,0,0|2,0,0]=3 144 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 T66114 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,0,0,1,0,0|2,0,0]=3 148 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 D66113 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 T52250 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 A12037 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [0,0,0,1,0,0|1,0,0]=2 156 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [0,0,0,1,0,0|2,0,1]=4 159 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [0,0,0,1,0,0|2,0,1]=4 160 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,0,0,1,0,0|2,0,0]=3 161 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 D52502 [0,0,0,1,0,0|0,0,2]=3 164 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 D49693 [0,0,0,1,0,0|1,0,1]=3 165 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 B12796 [0,0,0,1,0,0|2,0,1]=4 166 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 I14462 [0,0,0,1,0,0|2,0,1]=4 167 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,0,0,1,0,0|2,0,1]=4 168 B12R2.2075 O[C@H](C1=CN=CC=C1)C2CC2 A50027 [0,0,0,1,0,0|3,0,0]=4 169 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,0,0,0,0,1|2,0,1]=4 170 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [2,0,0,0,0,0|0,0,0]=2 174 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [2,0,0,0,0,0|0,0,0]=2 185 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [2,0,0,0,0,0|0,0,0]=2 186 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [2,0,0,0,0,0|1,0,1]=4 204 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [2,0,0,0,0,0|1,0,1]=4 205 B9R1.8 BrCCC1=CC=NC=C1 B46088 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.8 CC#CC1=CC=CC=C1 P68608 [2,0,0,0,0,0|0,0,2]=4 207 B9R1.8 CCCC1=NC=CC=C1 P46859 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.8 CCCC1=NC=CN=C1 P43598 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.8 CCOC1=NC=CC=C1 E46369 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.8 CNCC1=CC=NC=C1 M43623 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.8 CNCC1=CN=CN=C1 N11436 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.8 CNCC1=CN=NC=C1 M12238 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.8 CNCC1=CN=NC=C1 M27035 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.8 CNCC1=NC=CC=N1 M14362 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.8 CNCC1=NC=CC=N1 M31227 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.8 CNCC1=NC=CN=C1 M14584 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.8 CNNC1=CC=CC=C1 M46459 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.8 COCC1=NC=CC=C1 M46377 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [2,0,0,0,0,0|0,0,2]=4 220 B9R1.8 NCCC1=CC=CN=C1 P43605 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.8 NCCC1=NC=CC=C1 P67673 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.8 NCCC1=NC=NC=C1 P14666 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.8 NCCC1=NC=NC=C1 P29961 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.8 NNCC1=CC=CC=C1 B6123 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.8 NNCC1=CC=CC=C1 B68081 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.8 NNCC1=CC=CN=C1 H0097 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.8 NNCC1=CC=CN=C1 H36962 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.8 NNCC1=CC=NC=C1 H0096 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.8 NNCC1=CC=NC=C1 H26285 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.8 NNCC1=NC=CC=C1 H0098 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.8 NOCC1=CC=CC=C1 B68114 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.8 OCCC1=CC=NC=C1 H46381 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.8 OCCC1=CN=CC=C1 P46376 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.8 ONCC1=CC=CC=C1 B36744 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.8 ONCC1=CC=CC=C1 B46575 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [2,0,0,0,0,0|0,0,2]=4 237 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [2,0,0,0,0,0|1,0,0]=3 238 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 M64383 [1,1,0,0,0,0|0,0,2]=4 239 B11R1.7 C#C[C@@](C)(O)C1=CC=CC=C1 P52408 [1,1,0,0,0,0|0,0,2]=4 240 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M62343 [1,1,0,0,0,0|0,0,2]=4 241 B11R1.7 CC(C)(CN)C1=CC=CC=C1 M53116 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.7 NCC(F)(F)C1=NC=CC=C1 D64291 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P12649 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.12 CCB(CC)C1=CC=CN=C1 D50430 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [1,1,0,0,0,0|0,0,0]=2 246 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B16168 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 F39582 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 K52052 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [1,1,0,0,0,0|0,0,0]=2 258 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 B49023 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 K63815 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 A69158 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [1,1,0,0,0,0|0,0,0]=2 267 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [1,1,0,0,0,0|0,0,0]=2 268 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [1,1,0,0,0,0|0,0,0]=2 269 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [1,1,0,0,0,0|0,0,0]=2 270 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [1,1,0,0,0,0|0,0,2]=4 271 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 B49032 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A49045 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A49617 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 A50349 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A50350 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A52173 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 H49893 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 F38669 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 B69408 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 A46787 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46801 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46803 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A64410 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A66336 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 A49514 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 A49526 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 A46799 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46804 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46810 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A46820 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A49516 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.23 N[C@H](CO)C1=CC=CC(I)=C1 A11985 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 C49388 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C36827 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [1,1,0,0,0,0|0,0,2]=4 327 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [1,1,0,0,0,0|0,0,0]=2 332 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 A67666 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.222 N[C@H](CO)C1=C(Cl)C=CC=C1 A46809 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A46819 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A49515 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 B54248 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.24 COCOC1=CC=CC(F)=C1 F49397 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,1,0,0,0,0|1,0,1]=4 402 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.29 CNCC[C@@H](O)C1=CC=CS1 M47068 [0,1,0,0,1,0|2,0,0]=4 404 B11R1.29 CNCC[C@H](O)C1=CC=CS1 M47069 [0,1,0,0,1,0|2,0,0]=4 405 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 A53040 [0,1,0,0,0,1|1,0,1]=4 406 B13R1.1327 CC(C)(CC=O)SC1=CC=CC=C1 M64695 [0,1,0,0,0,1|2,0,0]=4 407 B13R1.405 CN(C)[C@@H](CCO)C1=CC=CC=C1 D54993 [0,2,0,0,0,0|2,0,0]=4 408 B13R1.21 COC(=O)[C@H](C)C1=CC=C(N)C=C1 M62862 [0,2,0,0,0,0|1,0,1]=4 409 B13R1.452 COC[C@H](N)C1=CC=C(C#N)C=C1 A54120 [0,2,0,0,0,0|2,0,0]=4 410 B13R1.18 COCCN(C)C1=CC(N)=CC=C1 M53183 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.22 COC(=O)[C@H](C)C1=CC=CC(Br)=C1 M52624 [0,2,0,0,0,0|1,0,1]=4 412 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M54166 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 P52966 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 P52967 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.152 CN(C)C(=O)[C@@H](N)C1=CC=CC=C1 A64478 [0,2,0,0,0,0|1,0,1]=4 416 B13R1.708 COC(=O)C(C)(C)C1=CC=CC=C1 M54778 [0,2,0,0,0,0|1,0,1]=4 417 B13R1.708 COC(=O)[C@](C)(N)C1=CC=CC=C1 M54161 [0,2,0,0,0,0|1,0,1]=4 418 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 M62402 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 D61048 [0,2,0,0,0,0|1,0,0]=3 420 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,1,0,0|0,0,2]=4 421 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [1,0,0,1,0,0|0,0,2]=4 422 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [1,0,0,1,0,0|1,0,1]=4 423 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [1,0,0,1,0,0|2,0,0]=4 424 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [1,0,0,1,0,0|1,0,0]=3 425 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [1,0,0,1,0,0|1,0,0]=3 426 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [1,0,0,1,0,0|1,0,0]=3 427 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [1,0,0,1,0,0|2,0,0]=4 428 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [1,0,0,1,0,0|1,0,1]=4 429 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [1,0,0,1,0,0|1,0,0]=3 430 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [1,0,0,1,0,0|1,0,0]=3 431 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [1,0,0,1,0,0|1,0,0]=3 432 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [1,0,0,1,0,0|2,0,0]=4 433 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [1,0,0,1,0,0|0,0,0]=2 434 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [1,0,0,1,0,0|0,0,0]=2 435 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [1,0,0,1,0,0|1,0,0]=3 436 B11R2.40 NC1(C2=CC=CN=C2)CC1 P49656 [1,0,0,1,0,0|2,0,0]=4 437 B11R2.40 NC1(C2=CC=NC=C2)CC1 P8762 [1,0,0,1,0,0|2,0,0]=4 438 B11R2.40 NC1(C2=NC=CC=C2)CC1 P61647 [1,0,0,1,0,0|2,0,0]=4 439 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [1,0,0,1,0,0|2,0,0]=4 440 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [1,0,0,1,0,0|1,0,0]=3 441 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [1,0,0,1,0,0|1,0,0]=3 442 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [1,0,0,1,0,0|1,0,0]=3 443 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [1,0,0,1,0,0|2,0,0]=4 444 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [1,0,0,1,0,0|2,0,0]=4 445 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [1,0,0,1,0,0|2,0,0]=4 446 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [1,0,0,1,0,0|1,0,0]=3 447 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [1,0,0,1,0,0|1,0,0]=3 448 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [1,0,0,1,0,0|1,0,0]=3 449 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [1,0,0,1,0,0|1,0,0]=3 450 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [1,0,0,1,0,0|2,0,0]=4 451 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [1,0,0,1,0,0|1,0,0]=3 452 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [1,0,0,1,0,0|1,0,0]=3 453 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [1,0,0,1,0,0|1,0,0]=3 454 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [1,0,0,1,0,0|1,0,0]=3 455 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [1,0,0,1,0,0|1,0,0]=3 456 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [1,0,0,1,0,0|1,0,0]=3 457 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [1,0,0,1,0,0|2,0,0]=4 458 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [1,0,0,1,0,0|2,0,0]=4 459 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [1,0,0,1,0,0|2,0,0]=4 460 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [1,0,0,1,0,0|2,0,0]=4 461 B11R2.106 C[C@H]1CNCC2=CC=NN21 M20706 [0,0,0,1,1,0|2,0,0]=4 462 B13R2.15 OC1COCC1C2=CC=CC=C2 P52796 [0,0,0,1,0,1|2,0,0]=4 463 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 P10576 [0,0,0,1,0,1|1,0,0]=3 464 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13335 [0,0,0,1,0,1|2,0,0]=4 465 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 B61072 [0,0,0,1,0,1|2,0,0]=4 466 B13R2.64 C1=CC=C(C[S+]2CCCC2)C=C1 T8209 [0,0,0,1,0,1|2,0,0]=4 467 B13R2.221 NC1(CC2=CC=CC=C2)COC1 B10930 [0,0,0,1,0,1|2,0,0]=4 468 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 D54824 [0,0,0,1,0,1|1,0,0]=3 469 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 P53026 [0,1,0,1,0,0|1,0,0]=3 470 B13R2.3 C1=CC([C@@H]2CNCCO2)=CC=N1 P50172 [0,1,0,1,0,0|1,0,0]=3 471 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 P0629 [0,1,0,1,0,0|1,0,1]=4 472 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C68848 [0,1,0,1,0,0|1,0,0]=3 473 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 P28437 [0,1,0,1,0,0|0,0,0]=2 474 B13R2.3 C1=CC=C(C2SCCCS2)C=C1 P68812 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 P66378 [0,1,0,1,0,0|1,0,0]=3 476 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 P69285 [0,1,0,1,0,0|1,0,0]=3 477 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 P68690 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 P54820 [0,1,0,1,0,0|1,0,0]=3 479 B13R2.3 C1=CC=C([C@@H]2CNCCN2)C=C1 P13393 [0,1,0,1,0,0|0,0,0]=2 480 B13R2.3 C1=CC=C([C@@H]2CNCCN2)C=C1 P13419 [0,1,0,1,0,0|0,0,0]=2 481 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 P9416 [0,1,0,1,0,0|0,0,0]=2 482 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P13331 [0,1,0,1,0,0|1,0,0]=3 483 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P52920 [0,1,0,1,0,0|1,0,0]=3 484 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 P54819 [0,1,0,1,0,0|1,0,0]=3 485 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 P23480 [0,1,0,1,0,0|0,0,0]=2 486 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 P23657 [0,1,0,1,0,0|0,0,0]=2 487 B13R2.3 C1=CC=C([C@H]2CNCCN2)C=C1 P13420 [0,1,0,1,0,0|0,0,0]=2 488 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 P52921 [0,1,0,1,0,0|0,0,0]=2 489 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 P61270 [0,1,0,1,0,0|1,0,0]=3 490 B13R2.3 C1=CN=C(C2CCNCC2)N=C1 P52165 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.3 C1=CN=C([C@@H]2CNCCO2)C=C1 P50171 [0,1,0,1,0,0|1,0,0]=3 492 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 P53025 [0,1,0,1,0,0|1,0,0]=3 493 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 P54177 [0,1,0,1,0,0|1,0,0]=3 494 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 P54176 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 P54235 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 M30077 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [0,1,0,1,0,0|0,0,1]=3 498 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 E54823 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.1613 N#C[C@H]1CCCC2=C1C=CC=C2 T54377 [0,1,0,1,0,0|1,0,1]=4 500 B13R2.2539 ICC1(C2=CC=CC=C2)COC1 I8494 [0,1,0,1,0,0|1,0,0]=3 501 B13R2.2539 N#CC1(C2=CC=CC=C2)CCC1 P54376 [0,1,0,1,0,0|1,0,1]=4 502 B13R2.2539 N#CC1(C2=CC=CC=C2)COC1 P8307 [0,1,0,1,0,0|1,0,1]=4 503 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 P1183 [0,1,0,1,0,0|1,0,0]=3 504 B13R2.2539 OCC1(C2=CC=CC=C2)COC1 P1185 [0,1,0,1,0,0|1,0,0]=3 505 B13R2.2931 CN1C=C(CN)C2=C1C=CC=C2 M14457 [0,1,0,1,0,0|0,0,2]=4 506 B13R2.2931 CN1N=C(CO)C2=C1C=CC=C2 H10488 [0,1,0,1,0,0|1,0,1]=4 507 B13R2.12 BrC1=CC=C(N2CCCC2)C=C1 B52721 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 B38316 [0,1,0,1,0,0|2,0,0]=4 509 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 B52720 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 B52723 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.12 BrC1=CC=C([C@H]2CCNC2)C=C1 B52734 [0,1,0,1,0,0|0,0,0]=2 512 B13R2.12 CC1=CC=C(C2CCCC2)C=C1 C56018 [0,1,0,1,0,0|1,0,0]=3 513 B13R2.12 CC1=CC=C([C@@H]2CCCN2)C=C1 M54822 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 C37360 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 C52747 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.12 ClC1=CC=C([C@H]2CCCN2)C=C1 C52745 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 F52750 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 F54123 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.12 FC1=CC=C([C@H]2CCCN2)C=C1 F37019 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 P53027 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 C13101 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.520 N[C@@H](C1=CC=C(F)C=C1)C2CC2 C54126 [0,1,0,1,0,0|2,0,0]=4 523 B13R2.520 N[C@H](C1=CC=C(Br)C=C1)C2CC2 B52724 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.520 N[C@H](C1=CC=C(F)C=C1)C2CC2 C63731 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.2986 CC1(C2=CC=C(Br)C=C2)COC1 B11912 [0,1,0,1,0,0|1,0,0]=3 526 B13R2.2986 CC1(C2=CC=C(N)C=C2)COC1 M17694 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.2986 CC1=CC=C(C2(N)COC2)C=C1 M8505 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 B37588 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 B31601 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 B8448 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)COC1 C8533 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.2986 NC1(C2=CC=C(I)C=C2)COC1 I8587 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.2986 OC1(C2=CC=C(Br)C=C2)CCC1 B52667 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.2986 OC1(C2=CC=C(Br)C=C2)COC1 B6659 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 M55487 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 B32355 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 B52738 [0,1,0,1,0,0|2,0,0]=4 538 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 C52743 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 F54129 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.5179 O[C@H]1CCCC2=C1C=CC(F)=C2 F63760 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.5187 CC1=CN(C)C2=C1C=C(Br)C=C2 B52352 [0,1,0,1,0,0|0,0,2]=4 542 B13R2.5187 CC1=NN(C)C2=C1C=C(Br)C=C2 B9586 [0,1,0,1,0,0|1,0,1]=4 543 B13R2.5187 CC1=NN(C)C2=C1C=C(N)C=C2 A7935 [0,1,0,1,0,0|1,0,1]=4 544 B13R2.5187 CC1=NN(C)C2=C1C=CC(Br)=C2 B10394 [0,1,0,1,0,0|1,0,1]=4 545 B13R2.5187 CC1=NN(C)C2=C1C=CC(N)=C2 D8180 [0,1,0,1,0,0|1,0,1]=4 546 B13R2.13 BrC1=CC(N2CCCC2)=CC=C1 B52719 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 B52731 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 B52736 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 B63734 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.13 BrC1=CC([C@H]2CCNC2)=CC=C1 B52733 [0,1,0,1,0,0|0,0,0]=2 551 B13R2.13 CC1=CC=CC([C@@H]2CCCN2)=C1 M54821 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.13 ClC1=CC([C@H]2CCCN2)=CC=C1 C52744 [0,1,0,1,0,0|2,0,0]=4 553 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F22907 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F52749 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F54122 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.13 NC1=CC=CC([C@H]2CCCN2)=C1 P54179 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N M55488 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.162 C[C@H]1CCNC2=C1C=C(Br)C=C2 B52727 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.162 C[C@H]1CNCC2=C1C=C(Br)C=C2 B60390 [0,1,0,1,0,0|0,0,0]=2 560 B13R2.162 NC1=CC2=C(C=C1)CCC[C@@H]2O A52930 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 B36947 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 B52739 [0,1,0,1,0,0|2,0,0]=4 563 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N M55486 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.342 CC1=CC=CC2=C1CCC[C@H]2N M54825 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.342 N[C@@H]1CCCC2=C(Br)C=CC=C21 B63754 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52725 [0,1,0,1,0,0|2,0,0]=4 567 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52737 [0,1,0,1,0,0|2,0,0]=4 568 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52742 [0,1,0,1,0,0|2,0,0]=4 569 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 F52751 [0,1,0,1,0,0|2,0,0]=4 570 B13R2.3018 CC1(C2=CC=CC(Br)=C2)COC1 B11947 [0,1,0,1,0,0|1,0,0]=3 571 B13R2.3018 CC1=CC=CC(C2(N)COC2)=C1 T8508 [0,1,0,1,0,0|2,0,0]=4 572 B13R2.3018 NC1(C2=CC=CC(Br)=C2)COC1 A8397 [0,1,0,1,0,0|2,0,0]=4 573 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)COC1 C8581 [0,1,0,1,0,0|2,0,0]=4 574 B13R2.3018 NC1(C2=CC=CC(F)=C2)COC1 F8584 [0,1,0,1,0,0|2,0,0]=4 575 B13R2.3018 NC1(C2=CC=CC(I)=C2)COC1 I8586 [0,1,0,1,0,0|2,0,0]=4 576 B13R2.3018 OC1(C2=CC=CC(Br)=C2)COC1 B8450 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.4857 CC1=NN(C)C2=C(Br)C=CC=C12 B10395 [0,1,0,1,0,0|1,0,1]=4 578 B13R2.4857 CC1=NN(C)C2=CC=CC(Br)=C21 B16849 [0,1,0,1,0,0|1,0,1]=4 579 B13R2.371 C[C@H]1CCC(=O)C2=C1C=CC=C2 M54548 [0,1,0,1,0,0|1,0,1]=4 580 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 D64500 [0,1,0,1,0,0|1,0,1]=4 581 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 C55483 [0,1,0,1,0,0|2,0,0]=4 582 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 C55481 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 C55484 [0,1,0,1,0,0|2,0,0]=4 584 B13R2.32 NC1CCC2=C(C=CC=C2)C1O A37316 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 D49726 [0,1,0,1,0,0|1,0,1]=4 586 B13R2.15272 COC(=O)[C@@H]1CC2=C1C=CC=C2 M52443 [0,1,0,1,0,0|1,0,1]=4 587 B13R2.3063 C[C@@](O)(C1=CC=CC=C1)C2CC2 C54759 [0,1,0,1,0,0|1,0,0]=3 588 B13R2.3122 CC1(C)CNCC2=C1C=CC=C2 D55485 [0,1,0,1,0,0|0,0,0]=2 589 B13R2.12159 CC1(C)CC(=O)C2=C1C=CC=C2 D54541 [0,1,0,1,0,0|2,0,0]=4 590 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [0,1,0,1,0,0|2,0,0]=4 592 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 B36999 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 B52722 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 B52735 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.18 BrC1=C([C@H]2CCCN2)C=CC=C1 B63753 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.18 BrC1=C([C@H]2CCNC2)C=CC=C1 B52732 [0,1,0,1,0,0|0,0,0]=2 598 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 C52746 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 F25056 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.18 OC1=C(C2CCCC2)C=CC=C1 C62518 [0,1,0,1,0,0|1,0,0]=3 601 B13R2.18 OC1=C([C@@H]2CCCN2)C=CC=C1 P54147 [0,1,0,1,0,0|2,0,0]=4 602 B13R2.3097 CC1=C([C@@H](N)C2CC2)C=CC=C1 C55482 [0,1,0,1,0,0|2,0,0]=4 603 B13R2.3097 N[C@@H](C1=C(F)C=CC=C1)C2CC2 C54125 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.3097 N[C@H](C1=C(F)C=CC=C1)C2CC2 C54127 [0,1,0,1,0,0|2,0,0]=4 605 B13R2.3569 NC1(C2=C(Br)C=CC=C2)COC1 A8582 [0,1,0,1,0,0|2,0,0]=4 606 B13R2.3569 NC1(C2=C(F)C=CC=C2)COC1 F8583 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 T13686 [0,1,0,1,0,0|2,0,0]=4 608 B13R3.1962 C1=CC2=C(C=C1)C3C=CC2C3 D64066 [0,0,0,2,0,0|1,0,1]=4 609 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 T63009 [0,0,0,2,0,0|2,0,0]=4 610 B9R1.12 CCCCC1=CSC=C1 B47048 [1,0,0,0,1,0|2,0,0]=4 611 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 B62459 [0,0,0,0,0,2|1,0,1]=4