0 B14R2.28472 CC1=CC=CC2=CC(C)=C(C)C=C12 D78423 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.28472 C[C@@H]1OC2=C(Br)C=CC=C2NC1=O 69216 [0,0,0,0,0,0|2,1,1]=4 2 B14R2.28472 C[C@@H]1OC2=C(F)C=CC=C2NC1=O 70981 [0,0,0,0,0,0|2,1,1]=4 3 B14R2.28472 ClC1=CC2=NC=CC(Cl)=C2C=C1I 53871 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.28472 NC1=NC2=C(C=CC=C2O)NC1=O F14454 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.28472 OC1=C(O)C=C2C(=C1)N=CN=C2Cl 59614 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.28472 OC1=C2C=C(Br)C(Br)=CC2=CC=C1 N13324 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=C1 97676 [1,0,0,0,0,0|2,1,0]=4 8 B13R2.162 CC1=CC=C2C=CC=C(N)C2=C1 C16241 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 F30684 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.162 ClC1=CC=C2C=CC=C(Br)C2=C1 W18103 [1,0,0,0,0,0|2,1,0]=4 11 B13R2.162 ClC1=CN=C2C=CC=C(Br)C2=C1 80410 [1,0,0,0,0,0|1,1,1]=4 12 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=C1 AT10622 [1,0,0,0,0,0|2,1,0]=4 13 B13R2.162 OC1=C2C=C(Cl)C=NC2=CC=C1 80400 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 C73233 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.162 OC1=CN=C2C=CC=C(Cl)C2=C1 33283 [1,0,0,0,0,0|0,0,1]=2 16 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I F30333 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [1,0,0,0,0,0|1,0,0]=2 18 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br 94406 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Br D84301 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl 26652 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.369 OC1=CC2=NC=CC=C2C=C1Br K10294 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 84263 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=N1 69653 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.5179 CC1=NC2=CC=CC(C)=C2C=C1 AT13138 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.5179 ClC1=C2C=CC(Br)=CC2=CC=C1 D86133 [1,0,0,0,0,0|2,0,0]=3 29 B13R2.5179 ClC1=CC=C2C(Cl)=CC=[15N]C2=C1 D98227 [1,0,0,0,0,0|3,0,0]=4 30 B13R2.5179 FC1=CC=C2C(Br)=CC=CC2=N1 91506 [1,0,0,0,0,0|1,1,1]=4 31 B13R2.5179 NC1=C2C=CC(Cl)=NC2=CC=C1 O10759 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.5179 NC1=CC=CC2=C1COC(=O)N2 AC2657 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.5179 O=C1C=C2C=CC=C(Br)C2=CN1 P16671 [1,0,0,0,0,0|2,1,0]=4 34 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 D76504 [1,0,0,0,0,0|2,0,0]=3 35 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2O1 E70217 [1,0,0,0,0,0|1,1,0]=3 36 B13R2.5179 O=C1C=NC2=C(C=CN=C2Cl)N1 55073 [1,0,0,0,0,0|2,0,0]=3 37 B13R2.5179 O=C1CCC2=C(F)C=CC=C2N1 69694 [1,0,0,0,0,0|0,1,2]=4 38 B13R2.5179 O=C1COC2=C(Br)C=CC=C2N1 69214 [1,0,0,0,0,0|1,1,1]=4 39 B13R2.5179 O=C1COC2=C(Cl)C=CC=C2N1 AC6385 [1,0,0,0,0,0|1,0,1]=3 40 B13R2.5179 O=C1CSC2=C(Br)C=CC=C2N1 69221 [1,0,0,0,0,0|1,1,1]=4 41 B13R2.5179 O=C1NC2=CC=CC(Cl)=C2CO1 AC4761 [1,0,0,0,0,0|1,0,1]=3 42 B13R2.5179 O=C1NCC2=C(Cl)C=CN=C2N1 82219 [1,0,0,0,0,0|2,0,1]=4 43 B15R2.2393 O=CC1=CC2=C(Cl)C=CC=C2N=C1Cl AC2831 [0,1,0,0,0,0|1,0,2]=4 44 B15R2.61510 CC1(C)OC2=C(Cl)C=CC=C2NC1=O AC4422 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 C91153 [0,0,1,0,0,0|2,0,0]=3 46 B13R1.148 O=C(O)C(=O)CC1=CC=CC(F)=C1 C91152 [0,0,1,0,0,0|2,1,0]=4 47 B13R2.4825 C[C@H]1CC2=C(Cl)C=CC=C2C1=O N13055 [0,0,0,0,1,0|1,0,2]=4 48 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 30938 [0,0,0,0,1,0|1,0,1]=3 49 B12R1.50 C=CC(=O)NC1=CC=CC(Cl)=C1 N11715 [1,0,1,0,0,0|0,0,0]=2 50 B12R1.224 CC1=C(Cl)C=CC=C1CC(=O)O C90794 [1,0,1,0,0,0|1,0,1]=4 51 B12R1.371 C=CC(=O)NC1=C(Cl)C=CC=C1 N11716 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [1,0,1,0,0,0|0,0,2]=4 53 B12R1.1631 O=C\C=C\C1=C(F)C=CC=C1F 30455 [1,0,1,0,0,0|1,1,0]=4 54 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [2,0,0,0,0,0|1,0,0]=3 55 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.1081 [2H]C1=CC=CC2=CC=CC=C12 D98917 [2,0,0,0,0,0|2,0,0]=4 60 B14R1.5971 O=C(O)\C(S)=C\C1=C(Cl)C=CC=C1Cl C14744 [0,1,1,0,0,0|1,1,0]=4 61 B14R2.142 COC1=CC=C2C=CC=C(Cl)C2=C1 N14592 [1,1,0,0,0,0|1,0,0]=3 62 B14R2.142 COC1=CC=C2C=CC=C(F)C2=C1 74481 [1,1,0,0,0,0|1,1,0]=4 63 B14R2.142 COC1=CC=C2C=CN=C(Cl)C2=C1 79316 [1,1,0,0,0,0|2,0,0]=4 64 B14R2.142 COC1=CN=C2C=CC=C(Br)C2=C1 C16370 [1,1,0,0,0,0|0,1,1]=4 65 B14R2.8235 OC1=CC=C2C=C(Br)C=C(F)C2=C1 76349 [1,1,0,0,0,0|1,1,0]=4 66 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C=O 71782 [1,1,0,0,0,0|1,0,1]=4 67 B14R2.1128 COC1=CC2=CC=CC=C2N=C1Br 83952 [1,1,0,0,0,0|1,0,1]=4 68 B14R2.1128 N#CC1=CC2=C(C=CC=C2)NC1=O AT16002 [1,1,0,0,0,0|1,0,0]=3 69 B14R2.1128 NC1=CC2=CC=CC=C2C=C1C=O F15847 [1,1,0,0,0,0|2,0,0]=4 70 B14R2.1128 NCC1=CC2=CC=CC=C2C=C1O 32437 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O 71230 [1,1,0,0,0,0|0,0,1]=3 72 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br AT13206 [1,1,0,0,0,0|1,0,1]=4 73 B14R2.8188 CC1=CC2=C(C=CC=C2)N(C)C1=O 58047 [1,1,0,0,0,0|1,0,0]=3 74 B14R2.8188 CN1C(=O)C(Br)=CC2=C1C=CC=C2 D77883 [1,1,0,0,0,0|1,0,0]=3 75 B14R2.8239 CC1=C(O)C=C2C=CC(F)=CC2=N1 95154 [1,1,0,0,0,0|1,0,1]=4 76 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)C=C1O 67213 [1,1,0,0,0,0|0,0,0]=2 77 B14R2.8239 O=C1NC2=C(C=C(Cl)C=C2)C=C1O 67214 [1,1,0,0,0,0|0,0,0]=2 78 B14R2.8239 O=C1NC2=C(C=CC(Br)=C2)C=C1O 67965 [1,1,0,0,0,0|0,0,0]=2 79 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)O2 D86442 [1,1,0,0,0,0|2,0,0]=4 80 B14R2.1073 COC1=CC=CC2=C1C=NC(=O)N2 F15810 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.1801 CC1=C2C=CC(C=O)=NC2=CC=C1 72310 [1,1,0,0,0,0|1,0,1]=4 82 B14R2.1801 O=CC1=CC=C2C(=C1)C=CN=C2Cl D84717 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.1801 O=CC1=CC=C2C(Br)=CC=CC2=N1 AT13144 [1,1,0,0,0,0|0,1,1]=4 84 B14R2.28480 CC1=NC2=CC=CC(Cl)=C2C(Cl)=C1 I11678 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.28480 ClC1=CC(Cl)=NC2=CC=CC(Cl)=C12 D77341 [1,1,0,0,0,0|1,0,1]=4 86 B14R2.28480 O=C1C=C(O)C2=C(F)C=CC=C2O1 AC2072 [1,1,0,0,0,0|1,1,0]=4 87 B14R2.28480 O=C1NC2=C(C(=O)O1)C(O)=CC=C2 F51218 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.29365 CC1=CC(O)=CC2=C1C=CC(=O)O2 T72881 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.29365 CC1=CC=C2C(Cl)=CC(Cl)=CC2=N1 D80143 [1,1,0,0,0,0|1,0,1]=4 90 B14R2.29365 O=C1COC2=C(Cl)C=C(Cl)C=C2N1 AC7049 [1,1,0,0,0,0|1,0,1]=4 91 B14R2.29369 O=C1CCC2=C(C=CC(Br)=C2Cl)N1 69699 [1,1,0,0,0,0|0,0,2]=4 92 B14R2.29369 O=C1N=CC2=C(C=CC(Cl)=C2Cl)N1 F15816 [1,1,0,0,0,0|1,0,0]=3 93 B14R2.4220 CC1=C(C=O)C2=CC=CC(Cl)=C2N1 AT15910 [0,1,0,0,1,0|2,0,0]=4 94 B14R2.8737 O=C1NC2=C(C=CC(Br)=C2Cl)C1=O 96225 [0,1,0,0,1,0|1,0,1]=4 95 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O 60164 [0,1,0,0,1,0|1,0,1]=4 96 B14R2.4506 O=C1NC2=C(C1=O)C(Br)=C(Cl)C=C2 D76131 [0,1,0,0,1,0|0,1,1]=4 97 B16R2.126888 O=C(O)C1=CC2=C(Cl)C=CC=C2NC1=O N11773 [0,2,0,0,0,0|0,0,0]=2 98 B14R2.1078 O=CC1=C2C=CC=C(Cl)C2=CC=C1 AC2059 [0,0,1,1,0,0|2,0,0]=4 99 B12R2.202 CC1=CC2=C(C=CC=C2C)N1 C14038 [1,0,0,0,1,0|2,0,0]=4 100 B12R2.202 CC1=CC2=C(C=CN=C2Cl)N1 I10786 [1,0,0,0,1,0|2,0,0]=4 101 B12R2.202 CC1=CC2=C(Cl)C=CC=C2N1 24210 [1,0,0,0,1,0|1,0,0]=3 102 B12R2.202 O=C1NC2=CC=CC(Cl)=C2O1 AC6894 [1,0,0,0,1,0|1,0,1]=4 103 B12R2.203 CC1=C2C(=CC=C1)NN=C2O F18288 [1,0,0,0,1,0|2,0,0]=4 104 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 P12117 [1,0,0,0,1,0|2,0,0]=4 105 B12R2.203 CC1=CNC2=CC=CC(Cl)=C12 82101 [1,0,0,0,1,0|1,0,0]=3 106 B12R2.203 FC1=CNC2=CC=CC(Br)=C12 AC1901 [1,0,0,0,1,0|1,1,0]=4 107 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [1,0,0,0,1,0|1,0,1]=4 108 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O C15054 [1,0,0,0,1,0|1,0,1]=4 109 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [1,0,0,0,1,0|1,0,1]=4 110 B14R1.5956 O=C(O)C(=O)\C=C\C1=CC=CC(Cl)=C1 D77604 [0,0,1,0,0,1|2,0,0]=4