0 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S512214 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S515639 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br S860042 [0,0,0,0,0,0|2,2,0]=4 3 B14R2.7724 NC1=C(C=C(C2=C1N=CC=C2)Br)Br S197874 [0,0,0,0,0,0|1,2,0]=3 4 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Br)Br PH011201 [0,0,0,0,0,0|1,2,0]=3 5 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.32 NC1=CN=C2C=CC=NC2=C1I ADE000871 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [1,0,0,0,0,0|2,1,0]=4 13 B13R2.32 OC1=C(C=NC2=CC=CN=C12)Br T316318 [1,0,0,0,0,0|1,1,0]=3 14 B13R2.32 OC1=CN=C2C=CC=NC2=C1I ADE000865 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.328 CC1=CC(=C2C=CC=NC2=N1)Cl MNO000097 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [1,0,0,0,0,0|2,1,0]=4 17 B13R2.328 ClC1=NC2=NC=CC=C2C(=N1)Cl PH010601 [1,0,0,0,0,0|2,1,0]=4 18 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br CDS021083 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.371 CC1=CC=C(C2=CC=CN=C12)O PH017862 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.371 ClC1=CC=C(C2=C1C=CC=C2)I R268704 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.371 FC1=CC=C(C2=CC=CN=C12)Br CDS023642 [1,0,0,0,0,0|1,1,0]=3 22 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)O TMT00194 [1,0,0,0,0,0|1,0,0]=2 23 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.371 NC1=CC=C(C2=C1N=CC=C2)Br R397679 [1,0,0,0,0,0|1,1,0]=3 25 B13R2.371 OC1=CC=C(C2=C1C=CC=N2)Cl PH017861 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.371 OC1=CC=C(C2=C1N=CC=C2)Cl R277053 [1,0,0,0,0,0|0,0,0]=1 27 B13R2.371 [O-][N+]1=CC=C(C2=C1C=CC=C2)Cl T161721 [1,0,0,0,0,0|2,0,1]=4 28 B15R2.6124 COC1=C(C=C(C2=C1C=CC=C2)Br)Br S595918 [0,1,0,0,0,0|1,2,0]=4 29 B15R2.6124 COC1=C(C=C(C2=C1C=CC=C2)C)C S13200 [0,1,0,0,0,0|3,0,0]=4 30 B15R2.9032 CC1=C(C2=C(C=CC=C2)C(=C1Br)O)O S803774 [0,1,0,0,0,0|2,1,0]=4 31 B15R2.9032 O=C1C(=C(C(=O)C2=C1C=CC=N2)Cl)Cl TMT00350 [0,1,0,0,0,0|1,1,1]=4 32 B15R2.19973 NCC1=CC(=C2C=CC=CC2=C1O)Cl PH014709 [0,1,0,0,0,0|2,0,0]=3 33 B15R2.63927 CC1=NC2=C(C(=CC(=C2C=C1)Br)Br)O S348783 [0,1,0,0,0,0|0,2,0]=3 34 B15R2.63927 CC1=NC2=C(C=C1)C(=CC(=C2O)I)Cl PH004692 [0,1,0,0,0,0|0,0,0]=1 35 B15R2.63927 CC1=NC2=C(C=C1)C(=CC(=C2O)I)I S438189 [0,1,0,0,0,0|0,1,0]=2 36 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [2,0,0,0,0,0|0,1,0]=3 39 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [2,0,0,0,0,0|1,0,0]=3 40 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [2,0,0,0,0,0|1,0,0]=3 42 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [2,0,0,0,0,0|1,0,0]=3 44 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [2,0,0,0,0,0|1,0,0]=3 46 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [2,0,0,0,0,0|1,0,0]=3 48 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [2,0,0,0,0,0|0,1,0]=3 49 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [2,0,0,0,0,0|0,0,0]=2 51 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [2,0,0,0,0,0|0,1,1]=4 54 B14R2.92 O=CC1=C(C2=NC=CC=C2C=C1)O CDS023260 [1,1,0,0,0,0|1,0,0]=3 55 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1O CDS000044 [1,1,0,0,0,0|2,0,0]=4 56 B14R2.4513 CC1=CC=C2C=CC(=C(C2=N1)C)Br BBO000612 [1,1,0,0,0,0|1,1,0]=4 57 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)Cl)Br BBO000313 [1,1,0,0,0,0|1,1,0]=4 58 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)N)Br BBO000604 [1,1,0,0,0,0|1,1,0]=4 59 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Br BBO000312 [1,1,0,0,0,0|1,1,0]=4 60 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Cl BBO000715 [1,1,0,0,0,0|1,1,0]=4 61 B14R2.8038 CC1=C2N=CC=C(C2=CC=C1Cl)Cl BBO000148 [1,1,0,0,0,0|1,1,0]=4 62 B14R2.8038 CC1=C2N=CC=C(C2=CC=C1Cl)N BBO000158 [1,1,0,0,0,0|1,1,0]=4 63 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)Cl BBO000170 [1,1,0,0,0,0|2,0,0]=4 64 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)O BBO000049 [1,1,0,0,0,0|2,0,0]=4 65 B14R2.8038 ClC1=C(C2=NC=CC(=C2C=C1)Br)Cl BBO000594 [1,1,0,0,0,0|1,1,0]=4 66 B14R2.8038 ClC1=CC=NC2=C(C(=CC=C12)Cl)Cl BBO000146 [1,1,0,0,0,0|1,1,0]=4 67 B14R2.8038 FC1=C(C2=NC=CC(=C2C=C1)Br)F BBO000602 [1,1,0,0,0,0|1,1,0]=4 68 B14R2.8038 FC1=C(C2=NC=CC(=C2C=C1)Cl)F BBO000601 [1,1,0,0,0,0|1,1,0]=4 69 B14R2.8038 NC1=C2C=CC(=C(C2=NC=C1)F)F BBO000603 [1,1,0,0,0,0|1,1,0]=4 70 B14R2.8038 NC1=CC=NC2=C(C(=CC=C12)Cl)Cl BBO000155 [1,1,0,0,0,0|1,1,0]=4 71 B14R2.8038 OC1=C2C=CC(=C(C2=NC=C1)F)F BBO000301 [1,1,0,0,0,0|1,1,0]=4 72 B14R2.8235 NC1=CC2=C(C=C(C=C2N=C1)Cl)Cl BBO000646 [1,1,0,0,0,0|0,1,0]=3 73 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)Cl)C BBO000165 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)N)C BBO000152 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)O)C BBO000043 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.28480 CC1=CC2=NC=CC(=C2C(=C1)C)Br BBO000593 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.28480 FC1=CC2=NC=CC(=C2C(=C1)F)Br BBO000598 [1,1,0,0,0,0|0,2,0]=4 78 B14R2.28480 OC1=C2C(=CC(=CC2=NC=C1)F)F BBO000306 [1,1,0,0,0,0|0,2,0]=4 79 B14R2.29365 CC1=CC(=C2C=CC(=NC2=C1)C)C BBO000089 [1,1,0,0,0,0|2,0,0]=4 80 B14R2.29365 CC1=NC2=CC(=CC(=C2C=C1)Cl)Cl BBO000184 [1,1,0,0,0,0|0,1,0]=3 81 B14R2.1131 CC1=C2N=CC=CC2=C(C=C1)C=O CBR01746 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CCl PH014576 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CO S929115 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.1131 COC1=C2N=CC=CC2=C(C=C1)Cl PH007974 [1,1,0,0,0,0|0,0,0]=2 85 B14R2.1131 COC1=CC=C(C2=C1C=CC=C2)C S677035 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.1131 COC1=CC=C(C2=C1C=CC=C2)I R268739 [1,1,0,0,0,0|1,1,0]=4 87 B14R2.1131 N#CC1=CC=C(C2=CC=CN=C12)O PH017350 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.1131 N#CC1=CC=C(C2=NC=CC=C12)O PH017864 [1,1,0,0,0,0|1,0,0]=3 89 B14R2.1131 O=CC1=CC=C(C2=NC=CC=C12)O CDS018146 [1,1,0,0,0,0|1,0,0]=3 90 B14R2.1131 O=NC1=CC=C(C2=C1C=CC=C2)O PH007264 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.1131 OC1=C2N=CC=CC2=C(C=C1)CCl TMT00007 [1,1,0,0,0,0|0,0,0]=2 92 B14R2.1131 OCC1=CC=C(C2=C1C=CC=N2)O PH010379 [1,1,0,0,0,0|1,0,0]=3 93 B14R2.8051 CC1=CC=C(C2=C(C=CN=C12)O)C BBO000771 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.8051 FC1=CC=C(C2=C(C=CN=C12)Br)F BBO000599 [1,1,0,0,0,0|1,1,0]=4 95 B14R2.8051 FC1=CC=C(C2=C(C=CN=C12)Cl)F BBO000308 [1,1,0,0,0,0|1,1,0]=4 96 B14R2.8051 OC1=C2C(=CC=C(C2=NC=C1)F)F BBO000300 [1,1,0,0,0,0|1,1,0]=4 97 B14R2.8751 CC1=CC=C2C(=CC=C(C2=N1)O)Cl PH008835 [1,1,0,0,0,0|0,0,0]=2 98 B14R2.8751 CC1=NC2=C(C=CC(=C2C=C1)Cl)C BBO000188 [1,1,0,0,0,0|1,0,0]=3 99 B16R2.23331 O=[N+]([O-])C1=C(C2=C(C=CC=N2)C(=C1)Cl)O R703672 [0,2,0,0,0,0|1,0,0]=3 100 B16R2.22312 O=[N+]([O-])C1=CC(=C(C2=NC=CC=C12)O)Cl T325597 [0,2,0,0,0,0|1,1,0]=4 101 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [1,0,0,0,0,1|2,0,0]=4