0 B13R2.369 CC1=C(N)C=C2C=CC=CC2=C1 CS-0108597 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br CS-0051478 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 CC1=NC2=CC=CC=C2C=C1N CS-W021729 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 CC1=NC2=CC=CC=C2N=C1N CS-0061397 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 CC1NC2=CC=CC=C2NC1=O CS-0051283 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.369 CC1SC2=CC=CC=C2NC1=O CS-0100720 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br CS-0051485 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O CS-0099008 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.369 NC1=NC2=CC=CC=C2N=C1Cl CS-0021989 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.369 O=C1NC2=C(C=NC=C2)NC1=O CS-0103603 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.369 O=C1NC2=CC=CC=C2CC1O CS-0060600 [0,0,0,0,0,0|1,0,2]=3 11 B13R2.369 O=C1NC2=CC=CC=C2N=C1Cl CS-0051425 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.369 OC1=CC2=C(C=CC=C2)N=C1Cl CS-W021676 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.369 OC1=CC2=CC=CC=C2C=C1Br CS-0112709 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.24 CC1=NC2=CC=CC=C2C=N1 CS-0099614 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 ClC1=NC2=C(C=CN=C2)C=C1 CS-0052719 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 IC1=CC2=CC=CC=C2N=C1 CS-0103668 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.24 NC1=CC2=C(C=CC=C2)N=N1 CS-0060744 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 NC1=NC2=NC=CC=C2C=C1 CS-W021294 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CS-W009159 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 CS-0052753 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.24 O=C1CSC2=CC=CC=C2N1 CS-0085251 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CS-0085121 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.24 OC1=CC=C2C=NC=NC2=C1 CS-0085122 [1,0,0,0,0,0|3,0,0]=4 24 B14R2.1128 COC1=C(Br)C=C2C=CC=NC2=C1 CS-0062124 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.1128 COC1=CC2=C(C=C1F)N=CC=C2 CS-0062006 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.1128 COC1=CC2=C(C=CN=C2)C=C1I CS-0092017 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.1128 ClCC1=CC2=CC=CC=C2N=C1Cl CS-W015028 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl CS-0091810 [0,1,0,0,0,0|2,0,0]=3 29 B14R2.8188 CC1=C(Cl)C2=CC=CC=C2N=C1Br CS-0108107 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.8188 CC1=C(O)C=C2C=CC=CC2=C1O CS-0095675 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.8239 NC1=NC2=CC=C(Cl)C=C2C=C1Br CS-0080995 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.8239 O=C1NC2=CC=C(Br)C=C2C=C1O CS-0035521 [0,1,0,0,0,0|1,0,0]=2 33 B14R2.28472 CC1=CC2=CC=CC(Br)=C2NC1=O CS-0067885 [0,1,0,0,0,0|2,0,0]=3 34 B14R2.28472 CC1=CC2=CC=NC(Cl)=C2NC1=O CS-0067870 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O CS-0106156 [0,0,1,0,0,0|1,0,2]=4 36 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 CS-0060520 [0,0,1,0,0,0|1,0,2]=4 37 B12R2.18 CC1=CC2=CC=CC=C2N1C CS-W010998 [0,0,0,0,1,0|3,0,0]=4 38 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 CS-0111958 [0,0,0,0,1,0|2,0,1]=4 39 B12R2.18 O=C1CC2=CC=CC=C2C1=O CS-W014296 [0,0,0,0,1,0|0,0,2]=3 40 B11R1.40 Cl\C=C(\Cl)OC1=CC=CC=C1 CS-0036322 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 CS-0109600 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.86 O=C(O)CC1=NC=CC=C1O CS-0052280 [1,0,1,0,0,0|1,0,1]=4 43 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 CS-0062179 [0,1,1,0,0,0|1,0,1]=4 44 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CS-0107807 [0,1,1,0,0,0|0,0,2]=4 45 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CS-0107808 [0,1,1,0,0,0|0,0,2]=4 46 B13R2.32 NC1=C2C=CC=NC2=CC=C1O CS-0102436 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.32 NC1=C2N=CC=CC2=CC=C1O CS-0102387 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.32 NC1=CSC2=CC=CC=C2C1=O CS-0081212 [1,1,0,0,0,0|1,1,0]=4 49 B13R2.32 O=C1C(O)=CSC2=CC=CC=C12 CS-0081209 [1,1,0,0,0,0|0,1,0]=3 50 B13R2.32 OC1=C(Br)C2=NC=CC=C2C=C1 CS-0038655 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.32 OC1=C(Br)C=NC2=C1C=CC=C2 CS-0051431 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.32 OC1=CC=C2C=CC=CC2=C1O CS-0095240 [1,1,0,0,0,0|1,0,0]=3 53 B13R2.32 OC1=CC=C2N=CC=CC2=C1Cl CS-0084813 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS-W021958 [1,1,0,0,0,0|1,0,0]=3 55 B13R2.57 COC1=CC=C2C=CC=NC2=C1 CS-W022551 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.57 COC1=CN=C2C=CC=NC2=C1 CS-0081671 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CS-0060584 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.57 O=CC1=CC2=C(C=CC=N2)C=C1 CS-W010914 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.57 O=CC1=NC2=CC=CC=C2C=N1 CS-0085133 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 CS-0043921 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.155 BrC1=CC=C2C=CC(Br)=NC2=C1 CS-0079647 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.155 BrC1=CC=C2N=CC(I)=CC2=C1 CS-0108776 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.155 CC1=CC2=CC(N)=CC=C2C=C1 CS-0108583 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=C1 CS-0113148 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.155 NC1=CC2=C(C=C1)N=CC(I)=C2 CS-0081779 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.155 NC1=CC=C2C=CC(=O)NC2=N1 CS-0109817 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=C1 CS-0108579 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.155 O=C1C=CC2=CC=C(Cl)C=C2O1 CS-0098292 [1,1,0,0,0,0|0,0,0]=2 69 B13R2.155 O=C1C=CC2=CC=C(F)C=C2N1 CS-0050033 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.162 CC1=CC=NC2=CC=C(O)C=C12 CS-0088087 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 CS-0106374 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.162 CC1=NC2=C(F)C=CC=C2C=C1 CS-0088257 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.162 ClC1=CC2=C(Br)C=CC=C2C=C1 CS-0060604 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 CS-0067354 [1,1,0,0,0,0|1,0,0]=3 75 B13R2.162 O=C1C=NC2=C(N1)C(Br)=CC=C2 CS-0036265 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.162 OC1=CC2=C(Br)C=CC=C2N=C1 CS-0109527 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.328 ClC1=CC(Br)=NC2=CC=CC=C12 CS-0087915 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.328 NC1=C2C=CC=CC2=CC(Br)=C1 CS-0040521 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.328 NC1=C2N=CC=CC2=CC(O)=C1 CS-0102267 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.328 NC1=CC(=O)C2=CC=CC=C2S1 CS-0081211 [1,1,0,0,0,0|1,1,0]=4 81 B13R2.328 O=C1C=C(Br)C2=CC=NC=C2N1 CS-0077321 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 CS-0104588 [1,1,0,0,0,0|1,0,1]=4 83 B13R2.328 O=C1NC(=O)C2=CC=CC=C2S1 CS-0067861 [1,1,0,0,0,0|1,1,0]=4 84 B13R2.328 OC1=CC(Br)=C2N=CC=CC2=C1 CS-0095750 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.328 OC1=CC(I)=C2C=CC=CC2=C1 CS-0099978 [1,1,0,0,0,0|1,0,0]=3 86 B13R2.328 OC1=CC2=C(C=NC=C2)C(Br)=C1 CS-0029614 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.3683 CC1=CC2=CC=C(O)C=C2C=N1 CS-0061350 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.3683 CC1=NC2=CC=C(Cl)C=C2C=C1 CS-0113039 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 CS-0051450 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.3683 FC1=CC2=NC=C(I)C=C2C=C1 CS-0060433 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.3683 FC1=CN=C2C=C(Br)C=CC2=C1 CS-0060432 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.3683 NC1=CC=C2N=C(Cl)C=CC2=C1 CS-0108664 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.3683 O=C1C=C2C=CC(Cl)=CC2=CN1 CS-0082149 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.3683 OC1=CC2=C(C=C1)C=C(Cl)N=C2 CS-0082152 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.5179 CC1=C2N=CC(Br)=CC2=CC=C1 CS-0051442 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.5179 CC1=CC2=CC=CC(O)=C2N=C1 CS-0087911 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.5179 ClC1=NC2=CC=CC(Br)=C2C=C1 CS-0038859 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.5179 NC1=CC=CC2=CC(Br)=CN=C12 CS-W006441 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.5179 O=C1C=CC2=C(Cl)C=CN=C2N1 CS-0100340 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 CS-0062595 [0,1,0,0,1,0|1,0,0]=3 101 B13R2.45 N#CC1=C(N)C2=CC=CC=C2O1 CS-0060570 [0,1,0,0,1,0|2,0,0]=4 102 B13R2.359 CC1=CC2=CC=CC=C2S1(=O)=O CS-0077765 [0,1,0,0,1,0|2,0,0]=4 103 B13R2.359 O=S1(=O)C(Br)=CC2=CC=CC=C21 CS-0079299 [0,1,0,0,1,0|2,0,0]=4 104 B13R2.3085 O=C1C2=CC=CN=C2C(=O)N1O CS-0081576 [0,1,0,0,1,0|2,0,0]=4 105 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O CS-0060628 [0,1,0,0,1,0|1,0,1]=4 106 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 CS-0088455 [0,1,0,0,1,0|1,0,1]=4 107 B13R2.4856 O=C1NC2=CC=CC(I)=C2C1=O CS-0108793 [0,1,0,0,1,0|1,0,1]=4 108 B15R2.274 O=CC1=C(Cl)C2=CC=CC=C2NC1=O CS-0087930 [0,2,0,0,0,0|1,0,1]=4 109 B15R2.984 OB(O)C1=C(Cl)C=C2C=CC=CC2=C1 CS-0108651 [0,2,0,0,0,0|2,0,0]=4 110 B15R2.984 OB(O)C1=C(O)N=C2C=CC=CC2=C1 CS-0060669 [0,2,0,0,0,0|1,0,1]=4 111 B15R2.2039 CC1=CC=CC2=C1NC(=O)C(C=O)=C2 CS-0038798 [0,2,0,0,0,0|1,0,1]=4 112 B15R2.2039 COC1=CC2=CC=CC(Br)=C2NC1=O CS-0067347 [0,2,0,0,0,0|1,0,0]=3 113 B15R2.21243 CN1C(=O)C(C=O)=CC2=CC=CC=C21 CS-0061761 [0,2,0,0,0,0|1,0,1]=4 114 B15R2.21243 COC1=C(C)C(O)=C2C=CC=CC2=C1 CS-0095673 [0,2,0,0,0,0|2,0,0]=4 115 B15R2.21243 COC1=C(F)C(O)=C2C=CC=CC2=C1 CS-0095650 [0,2,0,0,0,0|2,0,0]=4 116 B15R2.13612 CC1=C(O)C2=CC=CC(Br)=C2NC1=O CS-0067884 [0,2,0,0,0,0|2,0,0]=4 117 B15R2.59733 OC1=C(Br)C=C2C=C(Br)C=C(Cl)C2=C1 CS-0098997 [0,2,0,0,0,0|2,0,0]=4 118 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 CS-0084794 [0,0,1,1,0,0|1,0,0]=3 119 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 CS-W023027 [0,0,1,1,0,0|1,1,0]=4 120 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 CS-0006616 [0,0,1,1,0,0|1,0,0]=3 121 B13R2.435 O=C(O)C1=CC2=CN=CC=C2S1 CS-0082386 [0,0,1,1,0,0|1,1,0]=4 122 B13R2.435 O=C(O)C1=CC2=NC=CC=C2O1 CS-0106542 [0,0,1,1,0,0|1,0,0]=3 123 B13R2.54 CC1=CC=CC2=C1C=C(C=O)N2 CS-0107095 [0,0,1,1,0,0|2,0,0]=4 124 B13R2.54 O=CC1=CC2=C(C=CN=C2Cl)O1 CS-0087991 [0,0,1,1,0,0|2,0,0]=4 125 B13R2.54 O=CC1=CC2=C(C=CNC2=O)O1 CS-0060068 [0,0,1,1,0,0|1,0,1]=4 126 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS-M0672 [0,0,1,0,1,0|1,0,0]=3 127 B11R1.222 O=C(NO)C1=CC=CC=C1Br CS-0108617 [0,0,1,0,1,0|2,0,0]=4 128 B11R2.1 BrC1=COC2=C1C=NC=C2 CS-0087976 [1,0,0,0,1,0|2,0,0]=4 129 B11R2.1 BrC1=COC2=C1N=CC=C2 CS-0060633 [1,0,0,0,1,0|2,0,0]=4 130 B11R2.1 BrC1=NOC2=CC=CC=C21 CS-0112728 [1,0,0,0,1,0|2,0,0]=4 131 B11R2.1 ClC1=CNC2=C1C=CC=C2 CS-0005541 [1,0,0,0,1,0|2,0,0]=4 132 B11R2.1 O=C1NC=C2C=CC=CN12 CS-0029727 [1,0,0,0,1,0|2,0,0]=4 133 B11R2.1 O=C1SSC2=CC=CC=C12 CS-0112260 [1,0,0,0,1,0|2,0,0]=4 134 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 CS-0088486 [1,0,0,0,1,0|2,0,0]=4 135 B11R2.10 OC1=CN2C=CC=CC2=N1 CS-0044053 [1,0,0,0,1,0|2,0,0]=4 136 B11R2.36 OC1=CC2=C(C=CS2)C=C1 CS-0060429 [1,0,0,0,1,0|2,0,0]=4 137 B11R2.36 OC1=CC=C2OC=CC2=C1 CS-W004630 [1,0,0,0,1,0|2,0,0]=4 138 B11R2.36 OC1=CN=C2SC=CC2=C1 CS-0084755 [1,0,0,0,1,0|2,0,0]=4 139 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 CS-0100047 [0,0,1,0,0,1|1,0,0]=3