0 B10R1.13 CC1=CC=C(C(N)=S)C=N1 SPB05963 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CD07981 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 NC(=S)C1=CC=C(F)C=C1 SEW05679 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.1 CSC1=CC=C(Br)C=C1 BTB04532 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BTB09873 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 JFD03586 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.3 COC1=NC=C(C(N)=S)C=C1 SPB05765 [0,1,0,0,0,0|2,1,0]=4 8 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 SEW05471 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 BTB13819 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 BTB10192 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 KM00234 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 KM00170 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.21 CC1=C(Cl)C=C(C(=N)N)C=C1 RJF01058 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.21 CC1=C(F)C=C(C(=N)N)C=C1 SPB07361 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.22 CC1=NC=C(\C(C)=N\O)C=C1 BTB07185 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 HTS13706 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 KM05492 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.22 CSC(=N)C1=CC=C(Cl)C=C1 DP01090 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 BTB04111 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BTB04099 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 SPB06960 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.22 N\N=C(/N)C1=CC=C(Cl)C=C1 DP01096 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.22 O=C(CO)C1=CC=C(Cl)C=C1 CD11832 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 HTS02459 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.166 CC(=O)C1=CN=C(N)N=C1C CD10099 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 SB01990 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.166 CC1=CC=C(C(N)=S)C(O)=N1 FM00043 [0,1,0,0,0,0|2,1,0]=4 28 B11R1.166 CC1=CC=C([N+](=O)[O-])C(N)=N1 BTB13479 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.35 CC(=O)C1=CC=C(Br)S1 KM02339 [0,0,0,0,1,0|2,0,0]=3 30 B9R1.35 CC1=CC(C(N)=O)=NO1 SPB04068 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.35 O=C(O)C1=CC=C(Br)O1 AC10702 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.35 O=C(O)C1=CC=C(Br)S1 BTB12643 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.35 O=C(O)C1=CC=C(Cl)S1 KM03331 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 KM05555 [0,0,0,0,0,1|1,0,0]=2 35 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 DP01919 [0,0,0,0,0,1|1,0,0]=2 36 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 RH00230 [0,0,0,0,0,1|1,0,0]=2 37 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 MB00106 [0,0,0,0,0,1|1,0,0]=2 38 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 DP01389 [0,0,0,0,0,1|1,1,0]=3 39 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JA00151 [0,0,0,0,0,1|1,0,0]=2 40 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 S04036 [0,0,0,0,0,1|2,0,0]=3 41 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 DP01382 [0,0,0,0,0,1|2,1,0]=4 42 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 TL00410 [0,0,0,0,0,1|2,0,0]=3 43 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 RH01845 [0,0,0,0,0,1|2,0,0]=3 44 B10R1.25 COC1=CC=C(Br)C=C1Br DP01258 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 RDP00161 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.61 O=C(O)C1=CC=CC=C1I BTB05694 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.61 O=C(O)C1=CC=CN=C1S SB00659 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 RDP00037 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 SB01732 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.14 CC1=CSC(C(=O)NN)=C1 GK01990 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.14 COC(=O)C1=CC=C(Br)O1 KM08612 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.31 CC(=O)C1=CC=C(C#N)S1 TL00354 [0,1,0,0,1,0|1,0,1]=4 53 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.31 CSC1=CC=C(C(N)=O)S1 SEW03628 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.194 CC1=CSC(C(N)=O)=C1Cl GK01748 [0,1,0,0,1,0|2,0,0]=4 56 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 SPB07621 [0,1,0,0,0,1|0,0,1]=3 57 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 DP01386 [0,1,0,0,0,1|1,1,0]=4 58 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 NRB04513 [0,1,0,0,0,1|1,0,0]=3 59 B12R1.19 CC(=O)NC1=CC(C)=C(C)C=C1 BTB05228 [0,1,0,0,0,1|0,0,0]=2 60 B12R1.19 CC(=O)NC1=CC(Cl)=C(Br)C=C1 SPB06382 [0,1,0,0,0,1|1,0,0]=3 61 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 TL00758 [0,1,0,0,0,1|0,0,0]=2 62 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 RDR01104 [0,1,0,0,0,1|1,0,0]=3 63 B12R1.19 CC(=O)NC1=CC=C(Br)C(C)=C1 KM10161 [0,1,0,0,0,1|1,0,0]=3 64 B12R1.19 CC1=CC=C(NC(N)=O)C=C1Cl JA00158 [0,1,0,0,0,1|1,0,0]=3 65 B12R1.19 NC(=O)NC1=CC(F)=C(F)C=C1 CD02041 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.49 CNC(=S)NC1=CC=C(F)C=C1 RDR01003 [0,1,0,0,0,1|1,1,0]=4 67 B12R1.49 COC(=S)NC1=CC=C(F)C=C1 CD03993 [0,1,0,0,0,1|1,1,0]=4 68 B12R1.49 CSC(=N)NC1=CC=C(Cl)C=C1 NRB04583 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.49 CSC(=N)NC1=CC=C(F)C=C1 RDR00489 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.49 CSC(=S)NC1=CC=C(Br)C=C1 BTB13455 [0,1,0,0,0,1|1,1,0]=4 71 B12R1.49 CS\C(N)=N\C1=CC=C(Cl)C=C1 JFD03127 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.106 CS(=O)(=O)NC1=CC=C(Cl)C=C1 KM05166 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.233 CC(=O)NC1=C(Br)C=C(F)C=C1 BTB04571 [0,1,0,0,0,1|1,0,0]=3 74 B12R1.233 CC(=O)NC1=C(C)C=C(I)C=C1 RDP00225 [0,1,0,0,0,1|1,0,0]=3 75 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 TL00885 [0,1,0,0,0,1|1,0,0]=3 76 B12R1.233 CC(=O)NC1=C(Cl)C=C(Cl)C=C1 TL00914 [0,1,0,0,0,1|1,0,0]=3 77 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 BTB03441 [0,1,0,0,0,1|1,0,0]=3 78 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1F BTB07539 [0,1,0,0,0,1|1,0,0]=3 79 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C KM08882 [0,1,0,0,0,1|0,0,0]=2 80 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C TL00898 [0,1,0,0,0,1|1,0,0]=3 81 B12R1.233 CC(=O)NC1=CC=C(F)C=C1Cl BTB05770 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.233 CC1=CC(C)=C(NC(N)=S)C=C1 BTB04770 [0,1,0,0,0,1|1,1,0]=4 83 B12R1.233 CC1=CC(Cl)=CC=C1NC(N)=O JA00161 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.233 NC(=O)CC1=C(Cl)C=C(F)C=C1 TL01011 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.233 NC(=O)NC1=C(F)C=C(F)C=C1 KM10031 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 RJC02323 [0,2,0,0,0,0|0,0,0]=2 87 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 BTB00865 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.5 NCC1=CC=C(C(=O)NN)C=C1 JFD01774 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.6 CNC1=CC=C(S(=O)(=O)O)C=C1 JFD03588 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.6 CS(=O)(=O)C1=CC=C(C#N)C=C1 JFD01921 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.48 CC(=O)C1=NC(S)=C(C#N)C=C1 SPB05369 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 BTB10315 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 BTB13398 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.256 CS(=O)C1=CC=C([N+](=O)[O-])C=C1 NRB00582 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.256 N=C(N)C1=CC=C(C(N)=O)C=C1 SB00616 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.9 C=CS(=O)(=O)C1=CC=C(C)C=C1 KM00150 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.126 CC1=CC(I)=C(S(N)(=O)=O)C=C1 NRB00658 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.232 CC(=O)C1=CC(F)=C(Cl)C=C1Cl BTB15028 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O JFD03914 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.367 CC1=C(F)C=C(\C(N)=N\O)C=C1 SPB07338 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.367 C\C(=N/O)C1=CC(Cl)=C(Cl)C=C1 KM06672 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.367 NNC(=O)C1=CC(F)=C(F)C=C1 SPB07437 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.1005 CC1=C(C)C(=O)C=C(C(=O)O)O1 NRB04763 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.1005 CC1=C(Cl)C=C([N+](=O)[O-])C=C1Cl KM08058 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 KM01491 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.1703 C\C(=N/O)C1=CC=C(Cl)C=C1Cl KM06478 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl BTB08025 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.1000 CC(=O)C1=C(O)C=C(C)OC1=O RJC00983 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(O)=N1 RF00089 [0,2,0,0,0,0|2,0,0]=4 110 B12R2.606 CC1=CC2=C(C=C1)N=C(N)S2 BTB04798 [0,0,0,1,0,1|1,1,0]=4 111 B12R2.606 CC1=CC2=C(C=C1)NC(=S)O2 S06035 [0,0,0,1,0,1|1,0,1]=4 112 B12R2.606 CC1=CC2=C(C=C1)NC(S)=N2 SB00799 [0,0,0,1,0,1|1,1,0]=4 113 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)S1 XBX00175 [0,0,0,1,0,1|2,0,0]=4 114 B12R2.606 CC1=CC=C2OC(=S)NC2=C1 S10307 [0,0,0,1,0,1|1,1,0]=4 115 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 JFD00620 [0,0,0,1,0,1|1,0,0]=3 116 B12R2.606 O=C1NC2=CC(Br)=CC=C2S1 BTB09256 [0,0,0,1,0,1|2,0,0]=4 117 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 RJC01116 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [1,0,0,0,0,1|1,1,0]=4 119 B12R1.21 CC(=O)\C=C/C1=CC=[N+](C)C=C1 BTB12919 [0,0,0,0,0,2|1,0,0]=3 120 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [0,0,0,0,0,2|1,0,0]=3 121 B12R1.21 CC1=CC=C(CSC(=N)N)C=C1 S01709 [0,0,0,0,0,2|2,0,0]=4 122 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [0,0,0,0,0,2|1,0,0]=3 123 B12R1.21 CC1=CC=C(SCC(=N)N)C=C1 SPB06106 [0,0,0,0,0,2|2,0,0]=4 124 B12R1.21 CC1=CC=C(\C=C\[N+](=O)[O-])C=C1 S01418 [0,0,0,0,0,2|2,0,0]=4 125 B12R1.21 CC1=CC=C(\N=N\N(C)C)C=C1 BTB14901 [0,0,0,0,0,2|2,0,0]=4 126 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 SPB05735 [0,0,0,0,0,2|2,0,0]=4 127 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 S14532 [0,0,0,0,0,2|2,0,0]=4 128 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,0,0,0,0,2|2,0,0]=4 129 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,0,0,0,0,2|2,0,0]=4