0 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 101970 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [0,0,0,0,0,0|1,0,2]=3 2 B12R2.1081 O=C1C=CNC2=CC=CC=C12 101470 [0,0,0,0,0,0|2,0,1]=3 3 B11R2.20 C1=CC=C2C=NC=CC2=C1 101921 [1,0,0,0,0,0|2,0,0]=3 4 B11R2.20 C1=CC=C2N=CC=CC2=C1 101934 [1,0,0,0,0,0|0,0,0]=1 5 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [1,0,0,0,0,0|1,0,1]=3 6 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12227 [0,1,0,0,0,0|3,0,0]=4 7 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12229 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.32 FC1=C(Br)C2=CC=CC=C2N=C1 101669 [0,1,0,0,0,0|3,0,0]=4 9 B13R2.32 FC1=C(I)C=CC2=CC=CC=C21 102037 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 102068 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 10608 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 101529 [0,1,0,0,0,0|1,0,1]=3 13 B13R2.328 FC1=CC(I)=CC2=CC=CC=C12 102038 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 18942 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 20203 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.328 O=C1C=C(O)C2=CC=CN=C2N1 19010 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.342 NC1=CC=CC2=C(N)C=CC=C12 10890 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.371 O=C1C=CC(=O)C2=CC=CC=C12 15733 [0,1,0,0,0,0|1,0,1]=3 19 B13R2.4818 IC1=CC=CC2=CC=CC(I)=C12 15035 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.5179 FC1=CC2=CC=CC(Br)=C2N=C1 101644 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.16 C=CCC(O)C1=CC=CC=C1 19554 [0,0,1,0,0,0|1,0,2]=4 22 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12193 [0,0,1,0,0,0|2,0,1]=4 23 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12194 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.28 C\C=C\C=C/C1=CC=CC=C1 100530 [0,0,1,0,0,0|2,0,0]=3 25 B13R3.1962 C1=CC2=C(C=C1)C3C=CC2O3 20352 [0,0,0,1,0,0|1,0,2]=4 26 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [0,0,0,0,1,0|2,0,1]=4 27 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [0,0,0,0,1,0|2,0,1]=4 28 B11R2.1 CN1N=CC2=C1N=CC=C2 20699 [0,0,0,0,1,0|3,0,0]=4 29 B10R1.10 O\N=C\C1=CC=CC(O)=C1 102535 [1,0,1,0,0,0|2,0,0]=4 30 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [1,0,1,0,0,0|1,0,0]=3 31 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,0,1,0,0,0|1,0,1]=4 32 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.61 O=C(O)C1=C(F)C=CC=N1 100687 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 17097 [0,1,1,0,0,0|2,0,0]=4 35 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 19785 [0,1,1,0,0,0|2,0,0]=4 36 B12R1.252 CC(C)=C\C=C/C1=CC=CC=C1 100549 [0,1,1,0,0,0|2,0,0]=4 37 B12R1.283 C=CCC1=CC=CC=C1C(=O)O 16551 [0,1,1,0,0,0|1,0,1]=4 38 B12R1.283 CC=CC1=CC=CC=C1C(=O)O 16550 [0,1,1,0,0,0|1,0,1]=4 39 B12R1.283 C\C=C\C1=CC=CC=C1C(=O)O 16556 [0,1,1,0,0,0|1,0,1]=4 40 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 101960 [1,1,0,0,0,0|0,0,0]=2 41 B12R2.24 CC1=CC2=CC=CC=C2C=N1 16471 [1,1,0,0,0,0|2,0,0]=4 42 B12R2.24 C[N+]1=CC2=CC=CC=C2C=C1 15360 [1,1,0,0,0,0|2,0,0]=4 43 B12R2.24 FC1=CC2=C(C=CC=C2)N=C1 100817 [1,1,0,0,0,0|0,0,0]=2 44 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [1,1,0,0,0,0|0,0,1]=3 45 B12R2.1 COC1=CCC2=CC=CC=C21 16665 [0,1,0,0,1,0|1,0,1]=4 46 B12R2.18 CC1=CC2=CC=CC=C2C1O 16748 [0,1,0,0,1,0|1,0,1]=4 47 B12R2.2028 CC1=CC(O)C2=CC=CC=C12 16634 [0,1,0,0,1,0|1,0,1]=4 48 B12R2.2028 O=C1NC(=O)C2=C1C=CC=N2 1283 [0,1,0,0,1,0|1,0,1]=4 49 B14R2.741 CC1=CC2=CC=CC=C2C=CC1=O 15111 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.603 O=C1C=CC=C2CC1=CC=CC2=O 15144 [0,1,0,0,0,1|1,0,1]=4 51 B14R2.92 COC1=C(C)C2=CC=CC=C2C=C1 10742 [0,2,0,0,0,0|2,0,0]=4 52 B14R2.203 NCC1=C(O)C=CC2=CC=CC=C21 15403 [0,2,0,0,0,0|2,0,0]=4 53 B14R2.203 O=CC1=C(O)C=CC2=CC=CC=C21 15679 [0,2,0,0,0,0|1,0,1]=4 54 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O 20745 [0,2,0,0,0,0|1,0,1]=4 55 B14R2.7724 ClC1=C(I)C=C(Br)C2=CC=CC=C21 100696 [0,2,0,0,0,0|2,0,0]=4 56 B14R2.8188 CC1=CC2=CC=CC=C2C(Br)=C1C 18225 [0,2,0,0,0,0|2,0,0]=4 57 B14R2.8188 O=C1OC2=C(C=CC=C2)C(O)=C1Br 20206 [0,2,0,0,0,0|2,0,0]=4 58 B14R2.8045 CC1=C2N=C(Cl)C=C(Cl)C2=CC=C1 9586 [0,2,0,0,0,0|1,0,0]=3 59 B14R2.8045 CC1=C2N=C(S)C=C(S)C2=CC=C1 9587 [0,2,0,0,0,0|1,0,0]=3 60 B14R2.8045 CC1=C2NC(=O)C=C(Cl)C2=CC=C1 9588 [0,2,0,0,0,0|1,0,1]=4 61 B14R2.8045 CC1=C2NC(=O)C=C(O)C2=CC=C1 9584 [0,2,0,0,0,0|1,0,1]=4 62 B14R2.8045 CC1=CC=CC2=C1OC(=O)C=C2O 20205 [0,2,0,0,0,0|2,0,0]=4 63 B14R2.8235 CC1=CC=C2NC(=O)C=C(O)C2=C1 19002 [0,2,0,0,0,0|2,0,0]=4 64 B14R2.28472 CC1=C2NC(=O)C(F)=CC2=CC=C1 101476 [0,2,0,0,0,0|1,0,1]=4 65 B14R2.28472 FC1=CC2=CC=CC(Br)=C2N=C1Br 101658 [0,2,0,0,0,0|1,0,0]=3 66 B14R2.28472 N1C(=O)C(F)=CC2=CC=CC(F)=C21 101349 [0,2,0,0,0,0|1,0,1]=4 67 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F 100008 [0,2,0,0,0,0|1,0,1]=4 68 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F 101477 [0,2,0,0,0,0|1,0,1]=4 69 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F 101663 [0,2,0,0,0,0|1,0,1]=4 70 B14R2.28472 O=C1NC2=C(Cl)C=CC=C2C=C1F 101474 [0,2,0,0,0,0|1,0,1]=4 71 B14R2.29365 O=C1C=C(O)C2=C(C=C(O)C=C2)O1 20204 [0,2,0,0,0,0|2,0,0]=4 72 B14R2.1078 N#CC1=CC=CC2=C(N)C=CC=C12 12106 [0,2,0,0,0,0|2,0,0]=4 73 B14R2.1078 NCC1=CC=CC2=C(Br)C=CC=C12 12111 [0,2,0,0,0,0|2,0,0]=4 74 B14R2.1078 NCC1=CC=CC2=C(Br)C=CC=C12 12112 [0,2,0,0,0,0|2,0,0]=4 75 B14R2.1078 NCC1=CC=CC2=C(Br)C=CC=C12 12113 [0,2,0,0,0,0|2,0,0]=4 76 B14R2.1078 NCC1=CC=CC2=C(Br)C=CC=C12 12114 [0,2,0,0,0,0|2,0,0]=4 77 B14R2.1078 O=CC1=CC=CC2=C(Br)C=CC=C12 10908 [0,2,0,0,0,0|1,0,1]=4 78 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 11178 [0,2,0,0,0,0|1,0,0]=3 79 B14R2.31359 O=C(O)C1=CC=NC2=CC=CC=C21 101816 [0,2,0,0,0,0|2,0,0]=4 80 B14R2.1801 NCC1=CC2=CC=CC(Br)=C2C=C1 12122 [0,2,0,0,0,0|2,0,0]=4 81 B14R2.1801 NCC1=CC2=CC=CC(Br)=C2C=C1 12123 [0,2,0,0,0,0|2,0,0]=4 82 B14R2.1801 O=CC1=CC2=CC=CC(Br)=C2C=C1 12117 [0,2,0,0,0,0|2,0,0]=4 83 B12R2.2017 C1=CC=C2C=CC=CC(=C1)C2 16521 [0,0,1,1,0,0|2,0,0]=4 84 B12R2.2017 C1=CC=C2C=CC=CC(=C1)[CH+]2 15133 [0,0,1,1,0,0|2,0,0]=4 85 B10R2.7 N1N=CC2=CC=CN=C21 20622 [1,0,0,0,1,0|2,0,0]=4