0 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.18 NC(=S)NC1=CC=NC=C1 SEW02754 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 KM05555 [0,1,0,0,0,0|2,0,0]=3 3 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 DP01919 [0,1,0,0,0,0|2,0,0]=3 4 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 RH00230 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 MB00106 [0,1,0,0,0,0|0,0,0]=1 6 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 DP01389 [0,1,0,0,0,0|1,1,0]=3 7 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JA00151 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 S04036 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 DP01382 [0,1,0,0,0,0|1,1,0]=3 10 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 TL00410 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 RH01845 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 RH01105 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 TL00838 [0,1,0,0,0,0|2,1,0]=4 14 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 JFD03710 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JFD03933 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.40 CNC(=S)NC1=CC=CC=C1 GK03238 [0,1,0,0,0,0|2,1,0]=4 17 B11R1.40 COC(=S)NC1=CC=CC=C1 BTB11637 [0,1,0,0,0,0|1,1,0]=3 18 B11R1.40 CSC(=N)NC1=CC=CC=C1 NRB04582 [0,1,0,0,0,0|2,1,0]=4 19 B11R1.40 NNC(=O)CC1=CC=CC=C1 JFD03115 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.40 NNC(=O)OC1=CC=CC=C1 DSHS01027 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.40 O=C(NO)NC1=CC=CC=C1 JFD01119 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 NRB00708 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 SPB06387 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 NRB00707 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.86 CC1=CC=CC=C1NC(N)=S SPB06632 [0,1,0,0,0,0|2,1,0]=4 27 B11R1.86 NC(=S)CC1=C(Cl)C=CC=C1 DP01383 [0,1,0,0,0,0|1,1,0]=3 28 B11R1.86 NC(=S)NC1=CC=CC=C1Br SPB06634 [0,1,0,0,0,0|2,1,0]=4 29 B11R1.86 NC(=S)NC1=CC=CC=C1F SPB06700 [0,1,0,0,0,0|2,1,0]=4 30 B11R1.86 O=C(O)CC1=CC=CC=C1I NRB00709 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 MB00204 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 RH01166 [0,1,0,0,0,0|2,1,0]=4 33 B11R1.157 NC(=S)NC1=CC(F)=CC=C1 SEW04593 [0,1,0,0,0,0|2,1,0]=4 34 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 BTB14052 [0,1,0,0,0,0|1,0,0]=2 35 B11R2.10 OC1=NC2=C(C=CC=C2)S1 AC40197 [0,0,0,1,0,0|1,1,0]=3 36 B11R2.10 SC1=NC2=C(C=CC=C2)N1 S00965 [0,0,0,1,0,0|2,1,0]=4 37 B11R2.10 SC1=NC2=CC=CC=C2S1 S08979 [0,0,0,1,0,0|1,2,0]=4 38 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [0,0,0,0,0,1|1,0,0]=2 41 B11R1.91 NC(=O)NCC1=NC=CC=C1 BTB05401 [0,0,0,0,0,1|2,0,0]=3 42 B11R1.91 NC(=O)NNC1=CC=CC=C1 S14722 [0,0,0,0,0,1|2,0,0]=3 43 B11R1.91 NC(=S)COC1=CC=CC=C1 SPB05907 [0,0,0,0,0,1|1,1,0]=3 44 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [0,0,0,0,0,1|1,1,0]=3 45 B11R1.91 NC(=S)NCC1=CC=NC=C1 RB00196 [0,0,0,0,0,1|2,1,0]=4 46 B11R1.91 NC(=S)NNC1=CC=CC=C1 PD00320 [0,0,0,0,0,1|2,1,0]=4 47 B11R1.91 O=C(O)CCC1=CC=CN=C1 HTS01877 [0,0,0,0,0,1|1,0,0]=2 48 B11R1.91 O=C(O)CSC1=NC=CC=C1 BTB05540 [0,0,0,0,0,1|1,0,0]=2 49 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CD07981 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.13 NC(=S)C1=CC=C(F)C=C1 SEW05679 [0,1,0,0,1,0|1,1,0]=4 52 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 RDP00161 [0,1,0,0,1,0|1,0,0]=3 53 B10R1.61 O=C(O)C1=CC=CC=C1I BTB05694 [0,1,0,0,1,0|0,0,0]=2 54 B10R1.61 O=C(O)C1=CC=CN=C1S SB00659 [0,1,0,0,1,0|1,0,0]=3 55 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 RDP00037 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 SB01732 [0,1,0,0,1,0|1,0,0]=3 57 B10R1.27 NNC(=O)CC1=CSC=C1 SPB02354 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.54 CC1=NC(CC(=O)O)=CS1 CD12020 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [0,1,0,0,0,1|0,0,0]=2 60 B12R1.21 CC1=CC=C(CSC(=N)N)C=C1 S01709 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [0,1,0,0,0,1|0,0,0]=2 62 B12R1.21 CC1=CC=C(SCC(=N)N)C=C1 SPB06106 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.21 N=C(N)CSC1=CC=C(Cl)C=C1 SPB06092 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 CD00226 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 SPB05735 [0,1,0,0,0,1|1,0,0]=3 66 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 S14532 [0,1,0,0,0,1|1,0,0]=3 67 B12R1.21 NC(=S)COC1=CC=C(Cl)C=C1 SPB01323 [0,1,0,0,0,1|1,1,0]=4 68 B12R1.21 NC(=S)NCC1=CC=C(F)C=C1 PD00384 [0,1,0,0,0,1|1,1,0]=4 69 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,1,0,0,0,1|0,0,0]=2 70 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,1,0,0,0,1|0,0,0]=2 71 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O EN00218 [0,1,0,0,0,1|1,0,1]=4 72 B12R1.27 CCC(=O)NNC1=CC=CC=C1 BTB10204 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.27 COC(=O)NCC1=CC=CC=C1 JFD01099 [0,1,0,0,0,1|0,0,0]=2 74 B12R1.27 NNC(=O)COC1=CC=CC=C1 RH01330 [0,1,0,0,0,1|1,0,0]=3 75 B12R1.27 N\C(COC1=CC=CC=C1)=N/O SPB02646 [0,1,0,0,0,1|1,0,0]=3 76 B12R1.27 N\C(CSC1=NC=CC=C1)=N/O CD09642 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [0,1,0,0,0,1|0,0,0]=2 78 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 JFD03490 [0,1,0,0,0,1|1,0,0]=3 79 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 HTS06398 [0,1,0,0,0,1|1,0,0]=3 80 B12R1.107 CC(NC(N)=S)C1=CC=CC=C1 RDR00827 [0,1,0,0,0,1|1,1,0]=4 81 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 RH01533 [0,1,0,0,0,1|0,0,0]=2 83 B12R1.125 CC(=O)NCC1=CC=CC=C1Br NRB00715 [0,1,0,0,0,1|1,0,0]=3 84 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SPB05621 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.125 N=C(N)SCC1=C(F)C=CC=C1 S11206 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.125 N=C(N)SCC1=CC=CC=C1Cl S01437 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.125 NC(=S)COC1=CC=CC=C1Cl SPB01326 [0,1,0,0,0,1|1,1,0]=4 88 B12R1.226 N=C(N)SCC1=CC(Cl)=CC=C1 S01620 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 S12185 [0,1,0,0,0,1|1,0,0]=3 90 B12R1.226 NC(=S)COC1=CC(Cl)=CC=C1 SPB01327 [0,1,0,0,0,1|1,1,0]=4 91 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 BTB08167 [0,1,0,0,0,1|1,0,1]=4 92 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 SPB07621 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 DP01386 [0,2,0,0,0,0|1,1,0]=4 94 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 NRB04513 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.19 CC(=O)NC1=CC(C)=C(C)C=C1 BTB05228 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.19 CC(=O)NC1=CC(Cl)=C(Br)C=C1 SPB06382 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 TL00758 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 RDR01104 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.19 CC(=O)NC1=CC=C(Br)C(C)=C1 KM10161 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.19 CC1=CC=C(NC(N)=O)C=C1Cl JA00158 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.19 NC(=O)NC1=CC(F)=C(F)C=C1 CD02041 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.49 COC(=S)NC1=CC=C(F)C=C1 CD03993 [0,2,0,0,0,0|1,1,0]=4 103 B12R1.233 CC(=O)NC1=C(Br)C=C(F)C=C1 BTB04571 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.233 CC(=O)NC1=C(C)C=C(I)C=C1 RDP00225 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 TL00885 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.233 CC(=O)NC1=C(Cl)C=C(Cl)C=C1 TL00914 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 BTB03441 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1F BTB07539 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C KM08882 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C TL00898 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.233 CC(=O)NC1=CC=C(F)C=C1Cl BTB05770 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.233 CC1=CC(Cl)=CC=C1NC(N)=O JA00161 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.233 NC(=O)CC1=C(Cl)C=C(F)C=C1 TL01011 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.233 NC(=O)NC1=C(F)C=C(F)C=C1 KM10031 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.233 NC(=S)CC1=CC=C(Cl)C=C1Cl SPB07979 [0,2,0,0,0,0|1,1,0]=4 116 B12R1.34 C=C(C1=CC=CC=C1)\C(C)=N\O BTBG00181 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.34 C\C(=N/O)C(=O)C1=CC=CC=C1 GK02977 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 RDR03335 [0,2,0,0,0,0|0,0,0]=2 119 B12R1.225 O=C(O)C(O)C1=CC(Cl)=CC=C1 BTB14381 [0,2,0,0,0,0|0,0,0]=2 120 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 JFD02109 [0,2,0,0,0,0|0,0,0]=2 121 B12R1.478 CC(=O)\C(=N/O)C1=CC=CC=C1 CD01161 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.478 C\C=C(/C(=O)O)C1=CC=CC=C1 BTBG00057 [0,2,0,0,0,0|0,0,1]=3 123 B12R1.478 C\C=C(\C(=O)O)C1=CC=CC=C1 NRB02306 [0,2,0,0,0,0|0,0,1]=3 124 B12R1.32 CCNC(=O)OC1=CC=CC=C1 BTB13270 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 BTB06265 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 JFD01130 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 BTB13280 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.50 COC(=S)NC1=CC(Cl)=CC=C1 RH01095 [0,2,0,0,0,0|1,1,0]=4 129 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 JFD02738 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.371 CNC(=O)SC1=C(Cl)C=CC=C1 EN00233 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.371 COC(=S)NC1=CC=CC=C1Cl SEW05584 [0,2,0,0,0,0|1,1,0]=4 132 B12R1.75 CCC1=CC=CC=C1NC(C)=O TL00639 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.75 COC1=CC=CC=C1NC(N)=O JA00157 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 RJC01302 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.127 CC1=CC=C(Cl)C=C1NC(N)=O JA00159 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.127 NC(=O)NC1=CC(Cl)=CC=C1Cl CD02675 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.224 CC(=O)NC1=C(C)C(C)=CC=C1 JFD03467 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.1009 CC(=O)NC1=C(Cl)C=CC=C1F BTB04051 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.1009 CC(=O)NC1=C(F)C=CC=C1F CD04232 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.1009 N=C(N)CC1=C(Cl)C=CC=C1Cl SPB00311 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.438 C#CC1=CC=CC(NC(C)=O)=C1 RF01853 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.438 COC1=CC(NC(N)=O)=CC=C1 JA00160 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.438 COC1=CC=CC(CC(N)=O)=C1 BTB09254 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 MB00202 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.438 CSC1=CC=CC(NC(N)=O)=C1 S04034 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.66 O=C(O)CCC1=CC=CS1 RJC01494 [0,0,1,1,0,0|1,0,1]=4 147 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [0,0,0,1,0,1|0,0,0]=2 148 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 RB00326 [0,0,0,1,0,1|1,0,0]=3 149 B12R2.606 CC1=CC2=C(C=C1)NC(=S)O2 S06035 [0,1,0,1,0,0|1,1,0]=4 150 B12R2.606 CC1=CC=C2OC(=S)NC2=C1 S10307 [0,1,0,1,0,0|1,1,0]=4 151 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 JFD00620 [0,1,0,1,0,0|1,0,0]=3 152 B12R2.606 O=C1NC2=CC(Br)=CC=C2S1 BTB09256 [0,1,0,1,0,0|1,1,0]=4 153 B12R2.606 OC1=NC2=C(C=C(Cl)C=C2)O1 AC29726 [0,1,0,1,0,0|1,0,1]=4 154 B12R2.606 SC1=NC2=CC(Cl)=CC=C2O1 S04169 [0,1,0,1,0,0|1,1,0]=4 155 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [0,1,0,1,0,0|1,1,0]=4 156 B12R2.32 OCC1=NC2=CC=CC=C2S1 CC06009 [0,1,0,1,0,0|1,1,0]=4 157 B12R1.252 CC(=O)N\N=C\C1=CC=CC=C1 BTB12720 [0,0,0,0,0,2|1,0,1]=4 158 B12R1.252 NC(=O)NCCC1=CC=CC=C1 RJC03754 [0,0,0,0,0,2|1,0,0]=3 159 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SB02007 [0,0,0,0,0,2|0,0,0]=2 160 B12R1.252 O=C(O)CCOC1=CC=CC=C1 RJC00749 [0,0,0,0,0,2|0,0,0]=2 161 B12R1.252 O=C(O)CCSC1=CC=CC=C1 JFD00825 [0,0,0,0,0,2|0,0,0]=2 162 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CD04055 [0,0,0,0,0,2|0,0,0]=2