0 B12R1.6 C#CC1=CC=C(S(C)(=O)=O)C=C1 W10760 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.6 C#CC1=CC=C(S(N)(=O)=O)C=C1 25797 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.6 C=CC1=CC=C(S(N)(=O)=O)C=C1 N16925 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.6 CNC1=CC=C(S(N)(=O)=O)C=C1 AT23136 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.6 CS(=O)(=O)C1=CN=C(C#N)C=C1 D74412 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.6 CS(=O)(=O)C1=CN=C(CN)C=C1 72965 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.6 CS(=O)(=O)C1=NC=C(C=O)C=C1 O11510 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.6 NNC1=CC=C(S(N)(=O)=O)C=C1 24528 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.6 NS(=O)(=O)C1=CC=C(C=O)C=C1 68668 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.6 NS(=O)(=O)C1=CC=C(CBr)C=C1 26150 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.6 NS(=O)(=O)C1=CC=C(CO)C=C1 N16854 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 79124 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.6 O=S(=O)(F)C1=CC=C(CBr)C=C1 AT12032 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.6 O=S(=O)([O-])C1=CC=C(CBr)C=C1 C15572 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 D81145 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 Y13670 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33613 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33618 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33808 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.3 NCC1=CC=C(C(F)F)C=C1 71247 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 11076 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 73838 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 O12033 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 20480 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 55666 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 63204 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 87616 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 91259 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C73216 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3396 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3405 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D83842 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F51928 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H11175 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P18527 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 S11121 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10985 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13813 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13814 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13829 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 38109 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 D70941 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.19 CC1=NC=C(S(=O)(=O)Cl)C=C1 P20210 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 C75280 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 AC6545 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.19 CS(=O)(=O)C1=CN=C(Cl)C=C1 91182 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.19 CS(=O)(=O)C1=NC=C(Br)C=C1 P10314 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.19 CS(=O)(=O)C1=NC=C(O)C=C1 F51251 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W10955 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.19 NC1=CC=C(S(=O)(=O)F)C=C1 D72000 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 I12019 [1,0,0,0,0,0|0,0,0]=1 57 B11R1.19 NC1=NC=C(S(=O)(=O)Cl)C=N1 F51918 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.19 O=C1C=CC(S(=O)(=O)Cl)=CN1 P17141 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.19 O=S(=O)(Cl)C1=CC=C(O)C=C1 F21306 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.19 O=S(=O)(Cl)C1=CN=C(Br)C=C1 Y14733 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.19 O=S(=O)(Cl)C1=NC=C(Cl)C=C1 76275 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.19 O=S(=O)(O)C1=CC=C(S)C=C1 FD13126 [1,0,0,0,0,0|2,0,0]=3 63 B13R1.96 CS(=O)(=O)C1=C(Br)C=C(C=O)C=C1 30604 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.140 CS(=O)(=O)C1=CC=C(CCBr)C=C1 72284 [0,1,0,0,0,0|2,0,0]=3 65 B13R1.140 NCCC1=CC=C(S(=O)(=O)F)C=C1 T70748 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.140 O=S(=O)(O)C1=CC=C(CCBr)C=C1 T71040 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.187 CCS(=O)(=O)C1=CC=C(C=O)C=C1 F20042 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.187 CCS(=O)(=O)C1=CC=C(CN)C=C1 P10910 [0,1,0,0,0,0|1,0,0]=2 69 B13R1.187 CCS(=O)(=O)C1=CC=C(CN)C=C1 W11918 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.187 CCS(=O)(=O)C1=CN=C(CN)N=C1 F20237 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.187 CNC1=CC=C(S(=O)(=O)NC)C=C1 72133 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.338 CC(=O)C1=CC=C(S(=O)(=O)[O-])C=C1 T71128 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.338 CS(=O)(=O)C1=CC=C(C(=N)N)C=C1 F12231 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 67488 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 F16985 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.338 NC(=O)C1=CC=C(S(=O)(=O)Cl)C=C1 31125 [0,1,0,0,0,0|1,0,1]=3 77 B13R1.338 NC(=O)C1=CC=C(S(N)(=O)=O)C=C1 29805 [0,1,0,0,0,0|0,0,1]=2 78 B11R1.45 NCC1=CC=C(S(N)(=O)=O)S1 C11255 [0,0,0,0,1,0|1,0,0]=2 79 B13R1.4 CS(=O)(=O)NC1=CC=C(C=O)C=C1 30394 [0,0,0,0,0,1|2,0,1]=4 80 B13R1.4 N#CC1=CC=C(CS(=O)(=O)Cl)C=C1 S10027 [0,0,0,0,0,1|1,0,2]=4 81 B10R1.3 NCC1=CC=C(CBr)C=C1 54465 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.3 NCC1=CC=C(CCl)C=C1 51899 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [2,0,0,0,0,0|0,0,1]=3 87 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [2,0,0,0,0,0|0,0,1]=3 88 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 C15067 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.28 O=S(=O)(Cl)C1=NC=CC=C1 F14522 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 12268 [2,0,0,0,0,0|2,0,0]=4 101 B12R1.48 NCC1=C(F)C=C([N+](=O)[O-])C=C1 70945 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.113 CNCC1=CC=C([N+](=O)[O-])C=C1 76740 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20153 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 F31037 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10456 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10681 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 Y10258 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 C71562 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.452 CCC1=CC(F)=C(C(N)=O)C=C1 D79253 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.9 C#CS(=O)(=O)C1=CC=C(C)C=C1 F21382 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.9 CNS(=O)(=O)C1=CC=C(Cl)C=C1 S12303 [1,1,0,0,0,0|1,0,0]=3 112 B12R1.9 CNS(=O)(=O)C1=CN=C(Cl)C=C1 AC6294 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 D72514 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.9 COS(=O)(=O)C1=CC=C(Cl)C=C1 D93386 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.23 CC1=C(F)C=CC(S(C)(=O)=O)=C1 AC1328 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.23 CC1=C(N)C=CC(S(C)(=O)=O)=N1 F30057 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.23 CS(=O)(=O)C1=CC(Br)=C(F)C=C1 79749 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.23 CS(=O)(=O)C1=CC(F)=C(Br)C=C1 29976 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.23 CS(=O)(=O)C1=CC(N)=C(Br)C=C1 D82238 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.23 NC1=C(Cl)C=C(S(N)(=O)=O)C=C1 F11675 [1,1,0,0,0,0|0,0,0]=2 121 B12R1.23 NC1=C(N)C=C(S(N)(=O)=O)C=C1 C77655 [1,1,0,0,0,0|0,0,0]=2 122 B12R1.23 NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1 80082 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.126 CC1=C(S(=O)(=O)Cl)C=CC(Cl)=C1 W16423 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.126 CC1=C(S(N)(=O)=O)C=CC(=O)N1 D77093 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.126 CC1=C(S(N)(=O)=O)C=CC(Br)=C1 CL8747 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.126 CC1=CC(C)=C(S(=O)(=O)Cl)C=C1 A12684 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.126 CC1=CC(O)=C(S(=O)(=O)O)C=C1 N11832 [1,1,0,0,0,0|1,0,0]=3 128 B14R1.414 C[C@H](N)C1=CC=C(CS(C)(=O)=O)C=C1 D97273 [0,1,0,0,0,1|1,0,0]=3 129 B14R1.3275 COC1=C(F)C=C(CS(N)(=O)=O)C=C1 F53364 [0,1,0,0,0,1|2,0,0]=4 130 B14R1.719 COC(=O)C1=CC=C(S(N)(=O)=O)C=C1 Y13486 [0,2,0,0,0,0|1,0,1]=4 131 B14R1.719 CS(=O)(=O)C1=CC=C(C(=N)NO)C=C1 69911 [0,2,0,0,0,0|1,0,1]=4 132 B14R1.719 O=C(CBr)C1=CC=C(S(=O)(=O)Cl)C=C1 54474 [0,2,0,0,0,0|2,0,0]=4 133 B14R1.806 NS(=O)(=O)C1=CC=C(CC(=O)O)C=C1 W13345 [0,2,0,0,0,0|1,0,0]=3 134 B14R1.213 CN(C)S(=O)(=O)C1=CC=C(CBr)C=C1 AC5958 [0,2,0,0,0,0|1,0,0]=3 135 B14R1.3332 NS(=O)(=O)C1=NC=C(C(F)(F)F)C=C1 78973 [0,2,0,0,0,0|2,0,0]=4 136 B14R2.3125 CS(=O)(=O)C1=CC2=C(C=C1)NCC2 C15715 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.3125 O=S(=O)(Cl)C1=CC2=C(C=C1)C=NN2 88020 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)O1 AT17332 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.55 CN1C=CC(S(N)(=O)=O)=N1 W17060 [1,0,0,0,1,0|2,0,0]=4 140 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [1,0,0,0,0,1|2,0,0]=4 141 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [1,0,0,0,0,1|2,0,0]=4 142 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [1,0,0,0,0,1|1,0,1]=4 143 B12R1.106 O=S(=O)([O-])CC1=CC=C(F)C=C1 F53362 [1,0,0,0,0,1|2,0,0]=4 144 B12R1.436 CS(=O)(=O)C1=CC(CN)=CC=C1 32692 [0,0,0,0,1,1|1,0,0]=3