0 B12R1.121 CNCCC1=C(OC)C=CC=C1 C77728 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.121 COC1=C(CCCBr)C=CC=C1 C78175 [0,0,0,0,0,0|1,0,3]=4 2 B12R1.121 O=CCCC1=C(CO)C=CC=C1 F19762 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 W16727 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 D90980 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.41 COC1=C(CNN)C=CC=C1 P10476 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.91 CCC(=O)CC1=C(OC)C=CC=C1 N14171 [0,1,0,0,0,0|1,0,2]=4 7 B13R1.91 COC1=C(NC(=O)CN)C=CC=C1 F21120 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.464 CCCC(=O)C1=C(OC)C=CC=C1 N13987 [0,1,0,0,0,0|1,0,2]=4 9 B13R1.464 COC1=C(\C(C)=C\C#N)C=CC=C1 W15658 [0,1,0,0,0,0|1,0,1]=3 10 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 D76287 [0,0,0,1,0,0|2,0,1]=4 11 B13R2.45 CN1C(C=O)=NC2=C1C=NC=C2 F50996 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 54475 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 AC9120 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.573 COC1=C2C=CN(C)C2=CC=C1 S12063 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.573 COC1=CC=CC2=C1COC2=O 76158 [0,0,0,1,0,0|1,0,1]=3 16 B13R2.573 COC1=CC=CC2=C1NNC2=O 32311 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.1613 BrCC1=CC=CC2=NC=CC=C12 O11300 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.1613 COC1=NC=CC2=CC=CC=C21 C15382 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.1613 OCC1=CC=CC2=NC=CC=C12 W10519 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [2,0,0,0,0,0|0,0,1]=3 21 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.17 O=C\C=C\C1=CC=NC=C1 T72403 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.20 COC1=C(NN)C=CC=C1 71208 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.20 COC1=NC=CN=C1C=O P10873 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.69 CC1=C(OCC=O)C=CC(Cl)=C1 H11069 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 V10202 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.125 O=C(O)CSC1=C(O)C=CC=C1 AT20931 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.1631 O=C\C=C\C1=C(F)C=CC=C1F 30455 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 F11411 [1,1,0,0,0,0|0,0,1]=3 32 B12R1.75 COC1=C(NC(C)=S)C=CC=C1 81285 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.75 COC1=CC=CN=C1CC(C)=O F31310 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.77 C=C[C@H](N)C1=C(CC)C=CC=C1 N15268 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.77 C=C[C@H](N)C1=C(CC)C=CC=C1 N15269 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.77 C=C[C@H](N)C1=C(CC)C=CC=C1 N15270 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.77 C=C[C@H](N)C1=C(OC)C=CC=C1 N15283 [1,1,0,0,0,0|0,0,1]=3 38 B12R1.77 C=C[C@H](N)C1=C(OC)C=CC=C1 N15284 [1,1,0,0,0,0|0,0,1]=3 39 B12R1.77 C=C[C@H](N)C1=C(OC)C=CC=C1 N15285 [1,1,0,0,0,0|0,0,1]=3 40 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 C74781 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.77 COC1=C(C(=O)CO)C=CC=C1 AC5663 [1,1,0,0,0,0|0,0,2]=4 42 B14R1.1600 COC1=C(CCC(=O)O)C=CC(Br)=C1 F52904 [0,2,0,0,0,0|0,0,2]=4 43 B14R1.1600 COC1=C(CCC(=O)O)C=CC(O)=C1 F18296 [0,2,0,0,0,0|0,0,2]=4 44 B14R1.1600 COC1=C(OCC(=O)O)C=CC(Br)=C1 AT13467 [0,2,0,0,0,0|1,0,1]=4 45 B14R1.1600 N#CC1=C(\C=C/C(=O)O)C=CC(O)=C1 F50385 [0,2,0,0,0,0|2,0,0]=4 46 B14R1.840 COC1=C([C@@H](N)CC(=O)O)C=CC=C1 A50423 [0,2,0,0,0,0|0,0,2]=4 47 B14R1.1865 COC1=C(CCC(=O)O)C=C(Cl)C=C1 F52902 [0,2,0,0,0,0|0,0,2]=4 48 B14R1.1865 COC1=NC=C(Br)C=C1\C=C\C(=O)O V10261 [0,2,0,0,0,0|1,0,0]=3 49 B14R1.3135 COC1=C(CC(=O)C(=O)O)C=CC=C1 C91207 [0,2,0,0,0,0|0,0,1]=3 50 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 N10901 [0,2,0,0,0,0|0,0,2]=4 51 B14R1.3135 COC1=C(NC(=O)C(=O)O)C=CC=C1 AT24760 [0,2,0,0,0,0|1,0,0]=3 52 B14R1.787 CCCOC1=C(CCC=O)C=CC=C1 P16988 [0,2,0,0,0,0|0,0,2]=4 53 B14R1.789 CO\C=C\C1=C(C(=O)OC)C=CC=C1 93000 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.450 COC1=C(Br)C=C(C=O)C(F)=C1 D78772 [0,0,1,1,0,0|2,0,0]=4 55 B12R1.450 COC1=C(Br)C=C(C=O)C(N)=C1 F15880 [0,0,1,1,0,0|2,0,0]=4 56 B12R1.450 COC1=C(Cl)C=C(C=O)C(C)=C1 D96249 [0,0,1,1,0,0|1,0,1]=4 57 B12R1.450 COC1=C(Cl)C=C(C=O)C(Cl)=C1 F17589 [0,0,1,1,0,0|2,0,0]=4 58 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [1,0,0,1,0,0|1,0,1]=4 60 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.32 BrCC1=CC2=C(C=CC=C2)O1 AC6096 [1,0,0,1,0,0|1,0,1]=4 62 B12R2.32 ClCC1=CC2=C(C=CC=C2)O1 AC6009 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.32 O=CC1=CC2=C(C=CC=N2)S1 98422 [1,0,0,1,0,0|1,1,0]=4 64 B12R2.32 O=CC1=NC2=C(C=CC=C2)O1 C16106 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.32 O=CC1=NN2C=CC=CC2=C1 F14285 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.196 CC1=CC=CC2=C1OCC2=O 32296 [1,0,0,1,0,0|1,0,1]=4 67 B12R2.1081 CC1=C2C=NC=CC2=CC=C1 D87678 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.1081 OC1=CC=NC2=NC=CC=C12 F20689 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.1081 [2H]C1=CC=CC2=CC=CC=C12 D98917 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.1 O=CC1=C2C=CC=CC2=NN1 F17858 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.1 O=C[C@@H]1CCC2=C1C=CC=C2 D78606 [1,0,0,1,0,0|1,0,1]=4 72 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 AC7141 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 Y10946 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.315 CCC1=CC=CC2=C1C=CN2 F18194 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.315 COC1=C2NN=CC2=CC=C1 D78821 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.315 COC1=C2OC=CC2=NC=C1 AC4949 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.315 COC1=CC=CC2=C1N=CS2 76145 [1,0,0,1,0,0|1,1,0]=4 79 B12R2.315 COC1=CC=CC2=CC=NN21 C90959 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.315 CSC1=C2NC=CC2=CC=C1 89387 [1,0,0,1,0,0|1,1,0]=4 81 B14R2.1060 CC1=CC2=C(C=C1)OC(C=O)=C2C 95746 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.1146 COC1=CC(Br)=CC2=CN=CC=C21 D87199 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.1146 COC1=CC(Cl)=CC2=NC=CC=C12 K10279 [0,1,0,1,0,0|1,0,0]=3 84 B14R2.1146 COC1=CC(F)=CC2=NC=CC=C12 K10278 [0,1,0,1,0,0|1,0,0]=3 85 B14R2.1146 COC1=CC(N)=CC2=CC=CC=C21 70410 [0,1,0,1,0,0|1,0,0]=3 86 B14R2.1146 COC1=CC(N)=CC2=CN=CC=C21 D87197 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.1938 COC1=C2CCC(=O)C2=CC(Br)=C1 F52780 [0,1,0,1,0,0|0,0,2]=4 88 B14R2.1938 COC1=C2CCC(=O)C2=CC(Cl)=C1 F52777 [0,1,0,1,0,0|0,0,2]=4 89 B14R2.1938 COC1=C2CCC(=O)C2=CC(F)=C1 F52774 [0,1,0,1,0,0|0,0,2]=4 90 B14R2.1938 COC1=C2NC=C(C)C2=CC(Cl)=C1 C92590 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.1938 COC1=C2NC=C(C)C2=CC(I)=C1 C92591 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.2332 CC1=CC=C2C=C(C=O)C=CC2=C1 AT10298 [0,1,0,1,0,0|1,0,1]=4 93 B14R2.4513 CN1C(=O)C=CC2=C1C=C(F)C=C2 P15189 [0,1,0,1,0,0|1,0,0]=3 94 B14R2.4513 CN1C(=O)C=CC2=CC=C(N)N=C21 AC6225 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.98 COC1=C(C2=NC=CN2)C=CC=C1 C12375 [0,1,0,1,0,0|1,0,0]=3 96 B14R2.1072 COC1=C2NC=C(C#N)C2=CC=C1 92841 [0,1,0,1,0,0|1,0,1]=4 97 B14R2.1072 COC1=CC=CC2=C(C=O)C=NN12 C91721 [0,1,0,1,0,0|1,0,0]=3 98 B14R2.1078 CCC1=C2N=CC=C(O)C2=CC=C1 AT25642 [0,1,0,1,0,0|1,0,1]=4 99 B14R2.1078 COC1=C2C=CC=C(Br)C2=CC=C1 N14591 [0,1,0,1,0,0|1,0,0]=3 100 B14R2.1078 COC1=C2C=CC=C(Br)C2=CC=N1 AT25640 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.1078 COC1=C2C=CC=C(Cl)C2=CC=C1 N14588 [0,1,0,1,0,0|1,0,0]=3 102 B14R2.1078 COC1=C2C=CC=C(F)C2=CC=C1 N14585 [0,1,0,1,0,0|1,0,0]=3 103 B14R2.1078 COC1=C2C=CC=C(I)C2=CC=C1 20757 [0,1,0,1,0,0|1,0,0]=3 104 B14R2.1078 COC1=C2C=CN=C(Cl)C2=CC=C1 69096 [0,1,0,1,0,0|1,0,0]=3 105 B14R2.1078 COC1=CC=CC2=C1CCNC2=O Y11341 [0,1,0,1,0,0|0,0,2]=4 106 B14R2.1078 COC1=CC=CC2=C1N=CNC2=O F15670 [0,1,0,1,0,0|1,0,0]=3 107 B14R2.1078 COC1=CC=NC2=C(O)C=CC=C12 76153 [0,1,0,1,0,0|1,0,1]=4 108 B14R2.2 O=C(O)C[C@H]1COC2=C1C=CC=C2 AC6774 [0,1,0,1,0,0|0,0,2]=4 109 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)N1 AT25864 [0,1,0,1,0,0|1,0,0]=3 110 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C P10161 [0,1,0,1,0,0|1,0,0]=3 111 B14R2.450 CC1=C(C(=O)Cl)SC2=C1C=CC=C2 A11319 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.450 CN1C(C(N)=O)=CC2=C1C=CC=C2 F13270 [0,1,0,1,0,0|1,0,0]=3 113 B14R2.1073 COC1=C2C=CC(Cl)=CC2=CC=C1 N14589 [0,1,0,1,0,0|1,0,0]=3 114 B14R2.1073 COC1=C2C=CC(Cl)=CC2=CN=C1 F15336 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.1073 COC1=C2C=CC(F)=CC2=CC=C1 N14586 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)O2 D86442 [0,1,0,1,0,0|0,0,0]=2 117 B14R2.1073 COC1=CC=CC2=C1C=NC(=O)N2 F15810 [0,1,0,1,0,0|1,0,0]=3 118 B14R2.1073 COC1=CC=CC2=C1CNC(=O)C2 F53268 [0,1,0,1,0,0|1,0,1]=4 119 B14R2.1073 COC1=CC=CC2=C1COC(=O)N2 AC4754 [0,1,0,1,0,0|1,0,1]=4 120 B14R2.1073 COC1=CC=CC2=NC(N)=NC=C12 AC6661 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.8188 CC1=CC2=C(C=CC=C2)N(C)C1=O 58047 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.8188 CN1C(=O)C(Br)=CC2=C1C=CC=C2 D77883 [0,1,0,1,0,0|1,0,0]=3 123 B14R2.11645 COC1=CC=CC2=C1C[C@H](C)C2=O N14234 [0,1,0,1,0,0|0,0,2]=4 124 B14R2.11684 COC1=C2C=C(Br)C=CC2=CC=N1 C91488 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.11684 COC1=C2C=C(Cl)C=CC2=CC=C1 N14590 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.215 CN1C(C=O)=C(Cl)C2=C1C=CC=C2 91252 [0,1,0,1,0,0|1,0,0]=3 127 B14R2.11635 CCC1=C2C(Br)=CC=CC2=CC=C1 E71997 [0,1,0,1,0,0|2,0,0]=4 128 B14R2.11635 COC1=C2C(=CC=C1)N=CN=C2Cl 68717 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.11635 COC1=C2C(=O)NC=CC2=CC=C1 F19023 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.11635 COC1=CC=CC2=CC=NC(C)=C21 Y10187 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.11635 COC1=CC=CC2=NC=CC(N)=C12 D87198 [0,1,0,1,0,0|1,0,0]=3 132 B14R2.11635 COC1=CC=CC2=NC=NC(N)=C12 D74541 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.203 CC1=C(CBr)C2=CC=CC=C2C=C1 F21155 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.527 CCOC1=CC=CC2=C1CCC2=O F52807 [0,1,0,1,0,0|0,0,2]=4 135 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C=O 71782 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.1128 NC1=CC2=CC=CC=C2C=C1C=O F15847 [0,1,0,1,0,0|1,0,1]=4 137 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O 71230 [0,1,0,1,0,0|1,0,1]=4 138 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 AT10297 [0,1,0,1,0,0|1,0,1]=4 139 B14R2.1131 COC1=CC=C(Cl)C2=CC=CC=C12 AT15697 [0,1,0,1,0,0|1,0,0]=3 140 B14R2.1131 COC1=CC=C(N)C2=CC=NC=C12 F19178 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.1745 COC1=C2CCC(=O)C2=C(Cl)C=C1 F52778 [0,1,0,1,0,0|0,0,2]=4 142 B14R2.1745 COC1=C2CCC(=O)C2=C(O)C=C1 F19151 [0,1,0,1,0,0|0,0,2]=4 143 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(Br)=C2 88454 [0,1,0,1,0,0|1,0,0]=3 144 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(N)=C2 58051 [0,1,0,1,0,0|1,0,0]=3 145 B14R2.31359 CC(=O)C1=CC=CC2=NC=CC=C12 92492 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.31359 C[C@H](Cl)C1=CC=CC2=NC=CC=C12 92494 [0,1,0,1,0,0|2,0,0]=4 147 B14R2.31359 C[C@H](O)C1=CC=CC2=NC=CC=C12 92493 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.3818 COC1=C(Cl)C=CC2=C1CCC2=O F52776 [0,1,0,1,0,0|0,0,2]=4 149 B14R2.3818 COC1=C(F)C=CC2=C1CCC2=O F52773 [0,1,0,1,0,0|0,0,2]=4