0 B11R2.10 OC1=NC2=C(C=CC=C2)S1 AC40197 [0,0,0,0,0,0|2,1,0]=3 1 B11R2.10 SC1=NC2=C(C=CC=C2)N1 S00965 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.10 SC1=NC2=C(N=CC=C2)S1 RH00329 [0,0,0,0,0,0|3,1,0]=4 3 B11R2.10 SC1=NC2=CC=CC=C2S1 S08979 [0,0,0,0,0,0|2,1,0]=3 4 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 S11049 [0,1,0,0,0,0|1,1,0]=3 5 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [0,1,0,0,0,0|2,0,0]=3 6 B12R2.18 CN1C(=S)SC2=CC=CC=C21 NRB01427 [0,1,0,0,0,0|2,1,0]=4 7 B12R2.32 CNC1=NC2=CC=CN=C2S1 TG00180 [0,1,0,0,0,0|2,1,0]=4 8 B12R2.32 CSC1=NC2=CC=CC=C2N1 DP01217 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.32 CSC1=NC2=CC=CC=C2N1 RH00984 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.32 CSC1=NC2=CC=CC=C2S1 KM06784 [0,1,0,0,0,0|1,1,0]=3 11 B12R2.32 CSC1=NC2=CC=CN=C2S1 RH00330 [0,1,0,0,0,0|2,1,0]=4 12 B12R2.32 NCC1=NC2=CC=CC=C2S1 CC06013 [0,1,0,0,0,0|1,1,0]=3 13 B12R2.32 OCC1=NC2=CC=CC=C2S1 CC06009 [0,1,0,0,0,0|1,1,0]=3 14 B12R2.606 CC1=CC2=C(C=C1)N=C(N)S2 BTB04798 [0,1,0,0,0,0|2,1,0]=4 15 B12R2.606 CC1=CC2=C(C=C1)NC(=S)O2 S06035 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.606 CC1=CC2=C(C=C1)NC(S)=N2 SB00799 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)S1 XBX00175 [0,1,0,0,0,0|0,1,0]=2 18 B12R2.606 CC1=CC=C2OC(=S)NC2=C1 S10307 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.606 NC1=NC2=C(C=C(F)C=C2)S1 RJC00659 [0,1,0,0,0,0|2,1,0]=4 20 B12R2.606 NC1=NC2=CC=C(Cl)C=C2S1 BTB04800 [0,1,0,0,0,0|2,1,0]=4 21 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 JFD00620 [0,1,0,0,0,0|2,0,1]=4 22 B12R2.606 O=C1NC2=CC(Br)=CC=C2S1 BTB09256 [0,1,0,0,0,0|2,1,0]=4 23 B12R2.606 OC1=NC2=C(C=C(Cl)C=C2)O1 AC29726 [0,1,0,0,0,0|2,0,0]=3 24 B12R2.606 S=C1NC2=C(C=CC(Br)=C2)S1 BTB09236 [0,1,0,0,0,0|2,1,0]=4 25 B12R2.606 SC1=NC2=CC(Cl)=CC=C2O1 S04169 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [0,0,1,0,0,0|1,1,1]=4 27 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 AC31488 [0,0,0,0,0,1|3,0,0]=4 28 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [0,0,0,0,0,1|1,0,1]=3 29 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 RB00326 [0,0,0,0,0,1|2,0,1]=4 30 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 NRB00708 [0,1,1,0,0,0|2,0,0]=4 31 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 SPB06387 [0,1,1,0,0,0|2,0,0]=4 32 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 NRB00707 [0,1,1,0,0,0|2,0,0]=4 33 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 NRB00705 [0,1,1,0,0,0|2,0,0]=4 34 B11R1.222 NNC(=O)C1=CC=CC=C1O SEW04563 [0,1,1,0,0,0|2,0,0]=4 35 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 KM05555 [0,1,1,0,0,0|1,0,1]=4 36 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 DP01919 [0,1,1,0,0,0|1,0,1]=4 37 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 RH00230 [0,1,1,0,0,0|1,0,1]=4 38 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 MB00106 [0,1,1,0,0,0|1,0,1]=4 39 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 TL00410 [0,1,1,0,0,0|1,0,1]=4 40 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 RH01845 [0,1,1,0,0,0|1,0,1]=4 41 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CD03238 [0,1,1,0,0,0|2,0,0]=4 42 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 JFD03710 [0,1,1,0,0,0|1,0,1]=4 43 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JFD03933 [0,1,1,0,0,0|1,0,1]=4 44 B11R1.40 CNC(=S)NC1=CC=CC=C1 GK03238 [0,1,1,0,0,0|1,1,0]=4 45 B11R1.40 COC(=S)NC1=CC=CC=C1 BTB11637 [0,1,1,0,0,0|1,1,0]=4 46 B11R1.40 CSC(=N)NC1=CC=CC=C1 NRB04582 [0,1,1,0,0,0|2,0,0]=4 47 B11R1.40 NNC(=O)OC1=CC=CC=C1 DSHS01027 [0,1,1,0,0,0|2,0,0]=4 48 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [0,1,1,0,0,0|1,0,1]=4 49 B11R1.40 O=C(NO)NC1=CC=CC=C1 JFD01119 [0,1,1,0,0,0|2,0,0]=4 50 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 MB00204 [0,1,1,0,0,0|1,0,1]=4 51 B11R2.1 O=C1SNC2=CC=CC=C12 BTB03127 [1,1,0,0,0,0|2,0,0]=4 52 B11R2.36 BrC1=CC=C2C=CNC2=C1 RH00739 [1,1,0,0,0,0|1,0,0]=3 53 B11R2.36 BrC1=CC=C2NC=CC2=C1 RH00766 [1,1,0,0,0,0|1,0,0]=3 54 B11R2.36 ClC1=CC=C2NC=CC2=C1 JFD02106 [1,1,0,0,0,0|1,0,0]=3 55 B11R2.36 ClC1=CC=C2OC=NC2=C1 JFD01498 [1,1,0,0,0,0|1,0,0]=3 56 B11R2.36 IC1=CC=C2NC=CC2=C1 RH00726 [1,1,0,0,0,0|1,0,0]=3 57 B13R2.32 CC1=COC2=CC=CC=C2C1=O BTB12529 [0,1,0,0,0,1|0,0,0]=2 58 B13R2.32 CN1N=CC2=CC=CC=C2C1=O DP00854 [0,1,0,0,0,1|2,0,0]=4 59 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 RF01262 [0,1,0,0,0,1|1,0,0]=3 60 B13R2.32 OC1=C(O)C2=CC=CC=C2N=N1 RF03470 [0,1,0,0,0,1|2,0,0]=4 61 B13R2.57 OCC1=NC2=C(C=CC=C2)C=C1 CC04409 [0,1,0,0,0,1|1,0,0]=3 62 B13R2.57 OCC1COC2=C(C=CC=C2)O1 CC01509 [0,1,0,0,0,1|0,0,2]=4 63 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 RJC02157 [0,1,0,0,0,1|1,0,0]=3 64 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 RJC01118 [0,1,0,0,0,1|1,0,0]=3 65 B13R2.162 CC1=NC2=C(I)C=CC=C2C=C1 BTB12804 [0,1,0,0,0,1|1,0,0]=3 66 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 JFD02612 [0,1,0,0,0,1|0,0,0]=2 67 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 BTB12654 [0,1,0,0,0,1|2,0,0]=4 68 B13R2.328 CC1=CC(O)=NC2=C1C=CC=C2 AC12157 [0,1,0,0,0,1|2,0,0]=4 69 B13R2.328 CC1=NC2=C(C=CC=C2)C(O)=C1 BTB01126 [0,1,0,0,0,1|1,0,0]=3 70 B13R2.328 NC1=NC(=O)C2=C(C=CC=C2)N1 BTB05782 [0,1,0,0,0,1|2,0,0]=4 71 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 JFD03657 [0,1,0,0,0,1|2,0,0]=4 72 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 PD00036 [0,1,0,0,0,1|2,0,0]=4 73 B13R2.328 OC1=CC(O)=C2C=CC=CC2=N1 AC13220 [0,1,0,0,0,1|2,0,0]=4 74 B13R2.328 OC1=NC(O)=C2C=CC=CC2=N1 BTB02356 [0,1,0,0,0,1|2,0,0]=4 75 B13R2.328 S=C1NC(=S)C2=C(C=CC=C2)N1 PD00041 [0,1,0,0,0,1|2,0,0]=4 76 B13R2.369 CC1=NC2=C(C=CC=C2)NC1=O XBX00029 [0,1,0,0,0,1|1,0,0]=3 77 B13R2.369 CC1=NC2=CC=CC=C2N=C1C XBX00028 [0,1,0,0,0,1|1,0,0]=3 78 B13R2.369 CC1=NC2=CC=CC=C2N=C1O RF02078 [0,1,0,0,0,1|1,0,0]=3 79 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 MGH00027 [0,1,0,0,0,1|2,0,0]=4 80 B13R2.369 SC1=NC2=CC=CC=C2N=C1S JFD01548 [0,1,0,0,0,1|2,0,0]=4 81 B13R2.3683 CC1=CC2=CC=C(F)C=C2C=C1 RH01072 [0,1,0,0,0,1|1,0,0]=3 82 B13R2.3683 CC1=CC=C2C=C(F)C=CC2=N1 BTB02593 [0,1,0,0,0,1|1,0,0]=3 83 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 SB00764 [0,1,0,0,0,1|1,0,0]=3 84 B13R2.3683 CC1=NC2=CC=C(Cl)C=C2C=C1 RJC01119 [0,1,0,0,0,1|1,0,0]=3 85 B13R2.45 CC1=C(C#N)SC2=C1C=CC=C2 MWP00784 [0,2,0,0,0,0|0,1,1]=4 86 B13R2.45 CSC1=NC2=CC=CC=C2N1C BTB14440 [0,2,0,0,0,0|2,0,0]=4 87 B13R2.45 O=C1C2=CC=CC=C2C\C1=C/O FM00016 [0,2,0,0,0,0|1,0,1]=4 88 B13R2.135 CC[N+]1=C(C)SC2=CC=CC=C21 RJC03274 [0,2,0,0,0,0|1,1,0]=4 89 B13R2.135 N\N=C1/C(=O)NC2=CC=CC=C21 RH00963 [0,2,0,0,0,0|2,0,0]=4 90 B13R2.135 O=C1NC2=CC=CC=C2\C1=N\O BTB09934 [0,2,0,0,0,0|2,0,0]=4 91 B13R2.3028 CC1=C(Br)SC2=CC=C(Cl)C=C21 KM08172 [0,2,0,0,0,0|1,1,0]=4 92 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O JA00002 [0,2,0,0,0,0|2,0,0]=4 93 B13R2.3028 CC1=CC2=C(C=C1)SC(=O)C2=O KM09178 [0,2,0,0,0,0|1,1,0]=4 94 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O RH00683 [0,2,0,0,0,0|2,0,0]=4 95 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O BTB01627 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.26 CCSC1=NC2=CC=CC=C2N1 BTB13462 [0,2,0,0,0,0|2,0,0]=4 97 B13R2.26 N#CCC1=NC2=C(C=CC=C2)S1 GK00309 [0,2,0,0,0,0|1,1,0]=4 98 B13R2.26 N#CCC1=NC2=CC=CC=C2N1 BTB06788 [0,2,0,0,0,0|2,0,0]=4 99 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 SEW02805 [0,2,0,0,0,0|1,1,0]=4 100 B13R2.435 CC(C)C1=NC2=CC=CC=C2N1 DP01004 [0,2,0,0,0,0|2,0,0]=4 101 B13R2.435 CC(O)C1=NC2=C(C=CC=C2)N1 CD09564 [0,2,0,0,0,0|2,0,0]=4 102 B13R2.435 CS(=O)C1=NC2=C(C=CC=C2)S1 NRB00584 [0,2,0,0,0,0|1,1,0]=4 103 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CC12801 [0,2,0,0,0,0|1,0,1]=4 104 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CC06601 [0,2,0,0,0,0|0,0,1]=3 105 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CC12201 [0,2,0,0,0,0|0,1,1]=4 106 B13R2.5397 SC1=NC2=CC(Cl)=CC(Cl)=C2O1 BTB04150 [0,2,0,0,0,0|2,0,0]=4 107 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 BTB13426 [0,2,0,0,0,0|1,0,0]=3 108 B13R2.13083 CC1=NC2=CC(O)=C(O)C=C2S1 JFD02289 [0,2,0,0,0,0|1,1,0]=4 109 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,0,1,0,0,1|2,0,0]=4 110 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [0,0,1,0,0,1|2,0,0]=4 111 B11R1.91 NC(=S)COC1=CC=CC=C1 SPB05907 [0,0,1,0,0,1|2,0,0]=4