0 B14R2.7724 CC1=C(O)C2=CC=CC=C2C(N)=C1 42864 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.7724 CC1=CC(Br)=C(O)C2=CC=CC=C12 E71142 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 D76287 [1,0,0,0,0,0|1,0,1]=3 3 B13R2.32 CN1C(=O)CNC2=C1C=CC=N2 97249 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.328 BrC1=CC2=CC=CC=C2C(I)=C1 AC3548 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.328 CC1=CC2=CC=CC=C2C(C)=C1 T71081 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.328 C[C@H]1CC(=O)NC2=C1C=CC=C2 F18223 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 F11290 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.328 FC1=CC2=CC=CC=C2C(Br)=C1 E72054 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.328 NC1=C2C=CC=CC2=NC(=O)N1 25868 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.328 NC1=CC2=CC=CC=C2C(O)=C1 F50945 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.328 NC1=CC2=CN=CC=C2C(O)=C1 D87200 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 AT23422 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 D76212 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.328 O=C1C=C(I)OC2=C1C=CC=C2 C91932 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)N1 O11237 [1,0,0,0,0,0|1,0,0]=2 16 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)O1 94800 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)S1 D73547 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.328 OC1=CC(Br)=CC2=CN=CC=C12 E70451 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.328 OC1=CC(Cl)=CC2=CN=CC=C12 D87205 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.328 OC1=CC(F)=CC2=CN=CC=C12 D87208 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.371 CC1=CC=[N+]([O-])C2=CC=CC=C12 AC8129 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.371 CN1C=CC(=O)C2=C1C=CC=C2 D86440 [1,0,0,0,0,0|0,0,1]=2 23 B13R2.371 CN1CCC(=O)C2=C1C=CC=C2 93242 [1,0,0,0,0,0|0,0,3]=4 24 B13R2.371 FC1=CC=C(I)C2=CC=CC=C12 A51050 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 C16048 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.371 OC1=CC=C(Br)C2=NC=CC=C12 94248 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.371 OC1=CC=C(I)C2=CC=CC=C12 O11251 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.371 OC1=NC=C(F)C2=CC=CC=C21 73660 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.61763 CC1(C)C(=O)NC(=O)C2=C1C=CC=C2 W16186 [0,1,0,0,0,0|2,0,1]=4 30 B15R2.63814 CN1C(=O)OC(=O)C2=C1C=CC(F)=C2 AC8441 [0,1,0,0,0,0|1,0,1]=3 31 B15R2.63814 C[C@H]1CC(=O)N(C)C2=C1C=C(O)C=C2 W12882 [0,1,0,0,0,0|1,0,2]=4 32 B13R1.47 CCOC(=O)N(C)C1=CC=CC=C1 C13886 [0,0,1,0,0,0|2,0,1]=4 33 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 W10171 [0,0,0,0,1,0|1,0,1]=3 34 B12R1.34 C=CC(=O)N(C)C1=NC=CC=C1 A51226 [1,0,1,0,0,0|1,0,0]=3 35 B12R1.124 CC(=O)N(C)C1=C(Br)C=CC=C1 F53216 [1,0,1,0,0,0|1,0,1]=4 36 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [2,0,0,0,0,0|1,0,0]=3 37 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [2,0,0,0,0,0|1,0,0]=3 39 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [2,0,0,0,0,0|1,0,1]=4 41 B12R2.1081 CC1=C2C=NC=CC2=CC=C1 D87678 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.1081 FC1=CC=NC2=CC=CC=C12 P19300 [2,0,0,0,0,0|1,0,1]=4 43 B12R2.1081 O=C1C=CNC2=CC=CN=C12 N16989 [2,0,0,0,0,0|1,0,1]=4 44 B12R2.1081 OC1=CC=NC2=NC=CC=C12 F20689 [2,0,0,0,0,0|1,0,1]=4 45 B12R2.1081 [2H]C1=CC=CC2=CC=CC=C12 D98917 [2,0,0,0,0,0|2,0,0]=4 46 B14R2.203 CC1=C(CBr)C2=CC=CC=C2C=C1 F21155 [1,1,0,0,0,0|2,0,0]=4 47 B14R2.4513 CN1C(=O)C=CC2=C1C=C(F)C=C2 P15189 [1,1,0,0,0,0|0,0,0]=2 48 B14R2.4513 CN1C(=O)C=CC2=CC=C(N)N=C21 AC6225 [1,1,0,0,0,0|1,0,0]=3 49 B14R2.8188 CC1=CC2=C(C=CC=C2)N(C)C1=O 58047 [1,1,0,0,0,0|0,0,0]=2 50 B14R2.8188 CN1C(=O)C(Br)=CC2=C1C=CC=C2 D77883 [1,1,0,0,0,0|0,0,0]=2 51 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(Br)=C2 88454 [1,1,0,0,0,0|0,0,0]=2 52 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(N)=C2 58051 [1,1,0,0,0,0|0,0,0]=2 53 B14R2.1146 COC1=CC(N)=CC2=CC=CC=C21 70410 [1,1,0,0,0,0|2,0,0]=4 54 B14R2.1146 NNC1=CC(=O)NC2=C1C=CC=C2 F52341 [1,1,0,0,0,0|1,0,0]=3 55 B14R2.8045 CC1=CC(=O)NC2=C(Br)C=CC=C12 D73568 [1,1,0,0,0,0|1,0,0]=3 56 B14R2.8045 CC1=CC(=O)NC2=C(F)C=CC=C12 A11557 [1,1,0,0,0,0|1,0,0]=3 57 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O F14754 [1,1,0,0,0,0|1,0,1]=4 58 B14R2.8045 O=C1C=C(O)C2=CC=CC(Br)=C2N1 D73420 [1,1,0,0,0,0|0,0,0]=2 59 B14R2.8045 O=C1CC(=O)C2=CC=CC(F)=C2N1 F15665 [1,1,0,0,0,0|0,0,2]=4 60 B14R2.8045 O=C1NC(=O)C2=CC=CC(Cl)=C2N1 P16564 [1,1,0,0,0,0|1,0,1]=4 61 B14R2.8235 CC1=CC(=O)NC2=C1C=C(N)C=C2 D74573 [1,1,0,0,0,0|1,0,0]=3 62 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2Cl AC1930 [1,1,0,0,0,0|2,0,0]=4 63 B14R2.8235 O=C1C=C(Cl)C2=C(C=CC(Br)=C2)N1 F13886 [1,1,0,0,0,0|1,0,0]=3 64 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=N2)N1 F13889 [1,1,0,0,0,0|1,0,0]=3 65 B14R2.8235 O=C1C=C(O)C2=C(C=CC(O)=C2)O1 AC5863 [1,1,0,0,0,0|1,0,0]=3 66 B14R2.28480 O=C1C=C(O)C2=C(F)C=CC=C2O1 AC2072 [1,1,0,0,0,0|1,0,0]=3 67 B14R2.28480 O=C1NC2=C(C(=O)O1)C(O)=CC=C2 F51218 [1,1,0,0,0,0|1,0,1]=4 68 B14R2.29365 CC1=CC2=C(C=C1)C(=O)NC(=O)N2 F14751 [1,1,0,0,0,0|1,0,1]=4 69 B14R2.29365 O=C1C=C(Cl)C2=C(C=C(Cl)C=C2)O1 AC1874 [1,1,0,0,0,0|2,0,0]=4 70 B14R2.29365 O=C1C=C(Cl)C2=C(C=C(O)C=C2)O1 AC1933 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.29365 O=C1C=C(O)C2=C(C=C(Cl)C=C2)O1 AC4988 [1,1,0,0,0,0|1,0,0]=3 72 B14R2.29365 O=C1NC2=C(C=CC(O)=C2)C(=O)O1 69869 [1,1,0,0,0,0|1,0,1]=4 73 B14R2.1131 CC1=CC=C(CF)C2=CC=CC=C12 91801 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.1131 CC[N+]1=CC=C(C)C2=CC=CC=C21 V10009 [1,1,0,0,0,0|1,0,1]=4 75 B14R2.1131 COC1=CC=C(Cl)C2=CC=CC=C12 AT15697 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.1131 FC1=CC=C(CCl)C2=CC=CC=C12 N11814 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.1131 [O-][N+]1=CC=C(NO)C2=CC=CC=C21 T72491 [1,1,0,0,0,0|1,0,1]=4 78 B14R2.8051 CC1=CC=C(C)C2=C(C)C=CC=C12 D92509 [1,1,0,0,0,0|2,0,0]=4 79 B14R2.8751 OC1=CC=C(F)C2=CC=C(F)C=C12 A51237 [1,1,0,0,0,0|2,0,0]=4 80 B14R2.215 CN1C(C=O)=C(Cl)C2=C1C=CC=C2 91252 [0,1,0,0,1,0|1,0,0]=3 81 B14R2.8716 CN1C(=O)C(=O)C2=CC(Br)=CN=C21 52215 [0,1,0,0,1,0|1,0,1]=4 82 B14R2.19306 CN1C(I)=C(C#N)C2=C1C=CC=C2 F18138 [0,1,0,0,1,0|2,0,0]=4 83 B14R2.28485 CN1C(=O)C(=O)C2=CC=CC(Br)=C21 82391 [0,1,0,0,1,0|0,0,1]=3 84 B14R2.21 O=C1C=C(C2=CC=CC=C2)C=NN1 C91861 [0,0,1,1,0,0|2,0,0]=4 85 B14R2.21 O=C1C=C(C2=CC=CC=C2)CCC1 54499 [0,0,1,1,0,0|2,0,0]=4 86 B14R2.260 CN1N=C(C2=CC=CC=C2)CC1=O N16888 [0,0,1,1,0,0|1,0,1]=4 87 B14R2.598 CC1=CC(O)=NN1C2=CC=CC=C2 AC8310 [0,0,1,1,0,0|2,0,0]=4 88 B12R2.18 CN1C(=O)NC2=C1C=CC=N2 D72038 [1,0,0,0,1,0|2,0,0]=4 89 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 D72037 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 AC7141 [1,0,0,0,1,0|1,0,0]=3 91 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 Y10946 [1,0,0,0,1,0|1,0,0]=3 92 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [1,0,0,0,1,0|1,0,0]=3 93 B12R2.246 O=C1C=C(O)C2=C(N1)SC=C2 O11244 [1,0,0,0,1,0|1,0,0]=3 94 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [1,0,0,0,1,0|0,0,2]=4 95 B12R2.221 CC1=C2NC=CC2=C(O)C=C1 F18320 [1,0,0,0,1,0|2,0,0]=4 96 B14R2.287 CC1=NCC(=O)NC2=C1C=CC=C2 C16257 [1,0,0,0,0,1|1,0,1]=4 97 B14R2.287 O=C1CNC(=O)C2=C(C=CC=C2)N1 30909 [1,0,0,0,0,1|0,0,2]=4