0 B12R2.1081 CC1=CC=NC2=CC=CC=C12 H10212 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 D89503 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.1081 NC1=C2N=CC=NC2=CC=C1 81317 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.1081 NC1=CN=CC2=CC=CC=C12 F14134 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.1081 OC1=C2CC=CCC2=CC=C1 C15471 [0,0,0,0,0,0|1,0,1]=2 5 B12R2.1081 S=C1NC=NC2=C1C=CC=C2 D74560 [0,0,0,0,0,0|3,1,0]=4 6 B12R2.1081 S=C1NN=CC2=C1C=CC=C2 D74985 [0,0,0,0,0,0|3,1,0]=4 7 B12R2.1081 [O-]C1=CC=CC2=CC=CN=C12 74357 [0,0,0,0,0,0|0,0,1]=1 8 B12R2.1081 [O-]C1=CC=CC2=CC=CN=C12 D88841 [0,0,0,0,0,0|0,0,1]=1 9 B12R2.1081 [O-][N+]1=CC=NC2=CC=CC=C21 D95404 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.20 C1=CC=C2N=CC=CC2=C1 D95380 [1,0,0,0,0,0|0,0,0]=1 11 B11R2.20 C1=CC=C2N=CC=CC2=C1 H10805 [1,0,0,0,0,0|0,0,0]=1 12 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 D89712 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 D88419 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.32 ClC1=C(Cl)C2=CC=CC=C2N=C1 C15430 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 78739 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.32 FC1=C(Br)C=CC2=CC=CN=C21 AT25793 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.32 NC1=C(I)C2=NC=CN=C2C=C1 E71233 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.32 O=C1C(I)=COC2=C1C=CC=C2 C91063 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O F30116 [0,1,0,0,0,0|1,0,1]=3 20 B13R2.162 CC1=CC=C2N=CN=C(O)C2=C1 23225 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.162 OC1=C2C=C(Br)C=CC2=CC=N1 BL001896 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.162 OC1=C2C=C(Cl)C=CC2=NC=N1 34738 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 65650 [0,1,0,0,0,0|0,0,0]=1 24 B13R2.328 CC1=CC(C)=C2N=CC=CC2=C1 D74941 [0,1,0,0,0,0|1,0,0]=2 25 B13R2.328 O=C1C=C(O)NC2=C1C=CC=C2 O10804 [0,1,0,0,0,0|2,0,1]=4 26 B13R2.328 [O-]C1=CC(O)=NC2=CC=CC=C12 D89686 [0,1,0,0,0,0|2,0,1]=4 27 B13R2.328 [O-][N+]1=CC(Br)=CC2=CC=CC=C21 78439 [0,1,0,0,0,0|2,0,1]=4 28 B13R2.342 CC1=CC=CC2=C1C=CNC2=O 26570 [0,1,0,0,0,0|2,0,1]=4 29 B13R2.342 O=C1C=CNC2=C(Br)C=CC=C12 F10438 [0,1,0,0,0,0|1,0,1]=3 30 B13R2.342 O=C1C=CNC2=C(F)C=CC=C12 O11675 [0,1,0,0,0,0|1,0,1]=3 31 B13R2.342 O=C1N=CNC2=C(Br)C=CC=C12 26329 [0,1,0,0,0,0|2,0,1]=4 32 B13R2.342 OC1=C2C=CC=C(Cl)C2=NC=C1 F19997 [0,1,0,0,0,0|1,0,0]=2 33 B13R2.342 OC1=CC=CC2=C(O)C=CN=C12 75991 [0,1,0,0,0,0|0,0,0]=1 34 B13R2.371 CC1=CC=C(F)C2=CC=CN=C12 F13837 [0,1,0,0,0,0|1,0,0]=2 35 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 C15486 [0,1,0,0,0,0|1,0,0]=2 36 B13R2.371 NC1=CC=C(O)C2=NC=CC=C12 F16215 [0,1,0,0,0,0|0,0,0]=1 37 B13R2.371 OC1=NC=C(Br)C2=CC=CC=C21 82886 [0,1,0,0,0,0|2,0,0]=3 38 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 D91455 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.1613 NCC1=C2C=CC=NC2=CC=C1 24143 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.1613 NCC1=CN=CC2=CC=CC=C21 D82919 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.1613 NNC1=C2N=CC=CC2=CC=C1 C16674 [0,1,0,0,0,0|1,0,0]=2 42 B13R2.1613 SCC1=CC=CC2=CC=CC=C21 C80040 [0,1,0,0,0,0|1,1,0]=3 43 B13R2.4818 IC1=CC=CC2=CC=CC(I)=C12 AT25680 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.4818 NC1=C2C(=CC=C1)C=CC=[N+]2[O-] T71462 [0,1,0,0,0,0|1,0,1]=3 45 B13R2.4818 OC1=C2C(F)=CC=CC2=NC=N1 I12007 [0,1,0,0,0,0|3,0,0]=4 46 B13R2.5179 ClC1=CC=C2C(I)=CC=NC2=C1 AT14803 [0,1,0,0,0,0|3,0,0]=4 47 B13R2.5179 NC1=C2C=CC(O)=CC2=CC=C1 A51116 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.5179 OC1=C2C=CC(F)=CC2=NC=N1 F15666 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.17 C=CCOC1=C(C)C=CC=C1 D88409 [0,0,1,0,0,0|2,0,1]=4 50 B11R2.1 BrC1=COC2=CC=CN=C12 F52702 [0,0,0,0,1,0|2,0,0]=3 51 B11R2.1 SC1=CNC2=C1C=CC=C2 H10966 [0,0,0,0,1,0|2,1,0]=4 52 B11R2.106 BrC1=C2N=CNC2=CN=C1 P12260 [0,0,0,0,1,0|3,0,0]=4 53 B11R2.106 CC1=CC=CC2=C1N=CS2 F18224 [0,0,0,0,1,0|2,0,0]=3 54 B11R2.106 CC1=CC=CC2=NC=CN12 76316 [0,0,0,0,1,0|3,0,0]=4 55 B11R2.106 CC1=CC=CC2=NON=C12 29947 [0,0,0,0,1,0|3,0,0]=4 56 B11R2.106 ClC1=CC=CC2=NC=CN12 25523 [0,0,0,0,1,0|3,0,0]=4 57 B11R2.106 OC1=NC=NC2=C1C=CN2 85253 [0,0,0,0,1,0|3,0,0]=4 58 B11R2.106 OC1=NC=NC2=C1NC=C2 83187 [0,0,0,0,1,0|2,0,1]=4 59 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [1,0,1,0,0,0|1,0,1]=4 60 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [1,0,1,0,0,0|0,0,2]=4 61 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [1,0,1,0,0,0|1,0,1]=4 63 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [1,0,1,0,0,0|1,0,1]=4 64 B10R1.17 OC\C=C\C1=CN=CC=C1 AC7736 [1,0,1,0,0,0|0,0,1]=3 65 B10R1.17 OC\C=C\C1=NC=CC=C1 31710 [1,0,1,0,0,0|1,0,1]=4 66 B10R1.61 NC1=CC=CN=C1C(=O)O O10945 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.61 O=C(O)C1=C(F)C=CC=N1 AC3521 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.245 C=CC1=C(F)C=CC=C1F 35625 [1,0,1,0,0,0|2,0,0]=4 69 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 D78766 [0,1,1,0,0,0|2,0,0]=4 70 B12R2.24 CC1=CC2=CC=CC=C2C=N1 63496 [1,1,0,0,0,0|2,0,0]=4 71 B12R2.24 CC1=CC=C2N=CC=CC2=C1 20449 [1,1,0,0,0,0|0,0,0]=2 72 B12R2.24 NC1=NC2=CC=CC=C2N=N1 D78676 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.24 OC1=NC2=CC=CC=C2N=C1 P50007 [1,1,0,0,0,0|1,0,0]=3 74 B12R2.202 CC1=NC2=C(C=CC=C2N)O1 AC5951 [0,1,0,0,1,0|2,0,0]=4 75 B12R2.202 NC1=NC2=C(C=CC=C2O)S1 72870 [0,1,0,0,1,0|1,0,0]=3 76 B12R2.246 ClC1=CC(Cl)=C2OC=CC2=C1 O10795 [0,1,0,0,1,0|2,0,0]=4 77 B12R2.315 COC1=CC=CC2=C1C=NS2 D86294 [0,1,0,0,1,0|2,0,0]=4 78 B12R2.315 OCC1=CC=CN2C=CN=C12 81213 [0,1,0,0,1,0|1,0,0]=3 79 B14R2.92 O=NC1=C(O)C2=CC=CC=C2C=C1 D91664 [0,2,0,0,0,0|1,0,0]=3 80 B14R2.8045 CC1=CC(N)=C2C=CC=C(F)C2=N1 52224 [0,2,0,0,0,0|1,0,0]=3 81 B14R2.8045 CC1=CC(O)=C2C=CC=C(F)C2=N1 61170 [0,2,0,0,0,0|1,0,0]=3 82 B14R2.8045 CC1=CC=CC2=C1NC(=O)C=C2O N12493 [0,2,0,0,0,0|1,0,1]=4 83 B14R2.8045 CC1=NC2=C(C)C=CC=C2C(O)=C1 L10079 [0,2,0,0,0,0|1,0,0]=3 84 B14R2.8045 OC1=NC(O)=C2C=CC=C(Br)C2=N1 26293 [0,2,0,0,0,0|2,0,0]=4 85 B14R2.8235 CC1=CC=C2N=C(C)C=C(O)C2=C1 D74571 [0,2,0,0,0,0|2,0,0]=4 86 B14R2.1146 COC1=CC(Br)=NC2=CC=CC=C21 83955 [0,2,0,0,0,0|2,0,0]=4 87 B14R2.29365 CC1=CC(O)=C2C=CC(F)=CC2=N1 L10129 [0,2,0,0,0,0|2,0,0]=4 88 B14R2.29365 O=C1C=C(O)C2=C(C=C(Br)C=C2)O1 93323 [0,2,0,0,0,0|2,0,0]=4 89 B14R2.1078 COC1=CC=CC2=C(N)C=CN=C12 D81817 [0,2,0,0,0,0|0,0,0]=2 90 B14R2.1131 COC1=CC=C(C)C2=CC=CC=C12 T72156 [0,2,0,0,0,0|1,0,0]=3 91 B14R2.1131 OC1=CC=C(CCl)C2=CC=CN=C12 80256 [0,2,0,0,0,0|0,0,0]=2 92 B14R2.7150 BrCCC1=CC=CC2=CC=CC=C21 C80041 [0,2,0,0,0,0|2,0,0]=4 93 B14R2.7150 CCNC1=CC=CC2=CC=CC=C21 AT25692 [0,2,0,0,0,0|2,0,0]=4 94 B14R2.7150 CCNC1=CC=CC2=CC=CC=C21 D90444 [0,2,0,0,0,0|2,0,0]=4 95 B14R2.7150 S=C=NC1=CC=CC2=CC=CC=C21 D91098 [0,2,0,0,0,0|1,1,0]=4 96 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 C12992 [0,2,0,0,0,0|2,0,0]=4 97 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 F19297 [0,2,0,0,0,0|2,0,0]=4 98 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 35191 [0,0,1,1,0,0|2,0,0]=4 99 B10R2.7 C1=CC2=C(C=C1)OC=C2 D88596 [1,0,0,0,1,0|1,0,0]=3 100 B10R2.7 C1=CC2=C(C=C1)[S+]=CS2 D88761 [1,0,0,0,1,0|2,0,0]=4 101 B10R2.7 C1=CC2=CNN=C2C=N1 O10791 [1,0,0,0,1,0|2,0,0]=4 102 B10R2.7 C1=CC2=NNC=C2C=N1 F18249 [1,0,0,0,1,0|2,0,0]=4 103 B10R2.7 C1=CN=C2NC=NC2=C1 62602 [1,0,0,0,1,0|2,0,0]=4