0 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [0,0,0,0,0,0|2,1,0]=3 2 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.91 NC(=O)NCC1=NC=CC=C1 BTB05401 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 NC(=O)NNC1=CC=CC=C1 S14722 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 NC(=S)COC1=CC=CC=C1 SPB05907 [0,0,0,0,0,0|1,1,0]=2 6 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [0,0,0,0,0,0|1,2,0]=3 7 B11R1.91 NC(=S)NNC1=CC=CC=C1 PD00320 [0,0,0,0,0,0|3,1,0]=4 8 B11R1.91 O=C(O)CCC1=CC=CN=C1 HTS01877 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.91 O=C(O)CSC1=NC=CC=C1 BTB05540 [0,0,0,0,0,0|1,1,0]=2 10 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.21 CC1=CC=C(SCC(=N)N)C=C1 SPB06106 [0,1,0,0,0,0|2,1,0]=4 13 B12R1.21 N=C(N)CSC1=CC=C(Cl)C=C1 SPB06092 [0,1,0,0,0,0|2,1,0]=4 14 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 SPB05735 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 S14532 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.21 NC(=S)COC1=CC=C(Cl)C=C1 SPB01323 [0,1,0,0,0,0|1,1,0]=3 17 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,1,0,0,0,0|0,1,0]=2 18 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,1,0,0,0,0|0,1,0]=2 19 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O EN00218 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.27 CCC(=O)NNC1=CC=CC=C1 BTB10204 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.27 COC(=O)NCC1=CC=CC=C1 JFD01099 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.27 NNC(=O)COC1=CC=CC=C1 RH01330 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.27 N\C(COC1=CC=CC=C1)=N/O SPB02646 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.27 N\C(CSC1=NC=CC=C1)=N/O CD09642 [0,1,0,0,0,0|2,1,0]=4 25 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 JFD03490 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 HTS06398 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 RH01533 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.125 CC(=O)NCC1=CC=CC=C1Br NRB00715 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SPB05621 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.125 NC(=S)COC1=CC=CC=C1Cl SPB01326 [0,1,0,0,0,0|1,1,0]=3 33 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 S12185 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.226 NC(=S)COC1=CC(Cl)=CC=C1 SPB01327 [0,1,0,0,0,0|1,1,0]=3 35 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [0,0,0,1,0,0|0,0,0]=1 36 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 RB00326 [0,0,0,1,0,0|1,1,0]=3 37 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [0,0,0,0,1,0|1,1,0]=3 38 B10R1.66 O=C(O)CCC1=CC=CS1 RJC01494 [0,0,0,0,1,0|2,0,0]=3 39 B12R1.252 CC(=O)N\N=C\C1=CC=CC=C1 BTB12720 [0,0,0,0,0,1|3,0,0]=4 40 B12R1.252 NC(=O)NCCC1=CC=CC=C1 RJC03754 [0,0,0,0,0,1|2,0,0]=3 41 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SB02007 [0,0,0,0,0,1|1,0,0]=2 42 B12R1.252 O=C(O)CCOC1=CC=CC=C1 RJC00749 [0,0,0,0,0,1|0,0,0]=1 43 B12R1.252 O=C(O)CCSC1=CC=CC=C1 JFD00825 [0,0,0,0,0,1|0,1,0]=2 44 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CD04055 [0,0,0,0,0,1|0,1,0]=2 45 B11R1.1 N#CCOC1=CC=C(Br)C=C1 RJC03947 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 KM05555 [0,1,0,0,1,0|2,0,0]=4 47 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 DP01919 [0,1,0,0,1,0|2,0,0]=4 48 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 RH00230 [0,1,0,0,1,0|2,0,0]=4 49 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 MB00106 [0,1,0,0,1,0|0,0,0]=2 50 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 DP01389 [0,1,0,0,1,0|1,1,0]=4 51 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JA00151 [0,1,0,0,1,0|2,0,0]=4 52 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 S04036 [0,1,0,0,1,0|2,0,0]=4 53 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 DP01382 [0,1,0,0,1,0|1,1,0]=4 54 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 TL00410 [0,1,0,0,1,0|0,0,0]=2 55 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 RH01845 [0,1,0,0,1,0|0,0,0]=2 56 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 JFD03710 [0,1,0,0,1,0|0,0,0]=2 57 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JFD03933 [0,1,0,0,1,0|0,0,0]=2 58 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 NRB00708 [0,1,0,0,1,0|2,0,0]=4 59 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 SPB06387 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 NRB00707 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.86 NC(=S)CC1=C(Cl)C=CC=C1 DP01383 [0,1,0,0,1,0|1,1,0]=4 62 B11R1.86 O=C(O)CC1=CC=CC=C1I NRB00709 [0,1,0,0,1,0|0,0,0]=2 63 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 MB00204 [0,1,0,0,1,0|2,0,0]=4 64 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 BTB14052 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 RJC02447 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 S01990 [0,1,0,0,0,1|0,1,0]=3 67 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl RH00850 [0,1,0,0,0,1|1,0,0]=3 68 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O XBX00173 [0,1,0,0,0,1|1,0,0]=3 69 B13R1.513 CC1=CC=C(OCCC(=O)O)C=C1 RJC00750 [0,1,0,0,0,1|0,0,0]=2 70 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 JFD00826 [0,1,0,0,0,1|0,1,0]=3 71 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 RH01022 [0,1,0,0,0,1|1,0,0]=3 72 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 RJC00752 [0,1,0,0,0,1|0,0,0]=2 73 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 SEW01421 [0,1,0,0,0,1|0,0,0]=2 74 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 HTS11100 [0,1,0,0,0,1|0,0,0]=2 75 B13R1.3 COC1=CC=C(OCC(N)=O)C=C1 SPB08002 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 BTB00937 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.14 NNC(=O)CNC1=CC=C(F)C=C1 NRB00025 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.14 N\C(COC1=CC=C(Cl)C=C1)=N/O SEW05385 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.14 OCC(O)COC1=CC=C(Cl)C=C1 XBX00167 [0,2,0,0,0,0|0,0,2]=4 80 B13R1.132 NC(=O)CC(=O)C1=CC=C(F)C=C1 CD11531 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 KM08205 [0,2,0,0,0,0|1,0,0]=3 82 B13R1.164 CC(=O)COC1=C(Cl)C=C(Cl)C=C1 BTB03082 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.164 NC(=O)COC1=CC=C(Cl)C=C1Cl SPB00368 [0,2,0,0,0,0|1,0,0]=3 84 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl SEW04678 [0,2,0,0,0,0|1,0,0]=3 85 B13R1.164 O=C(O)CSC1=CC=C(Cl)C=C1Cl BTB08747 [0,2,0,0,0,0|0,1,0]=3 86 B13R1.164 O=C(O)CSC1=CC=C(F)C=C1Cl BTB08730 [0,2,0,0,0,0|0,1,0]=3 87 B13R1.511 CC1=C(Cl)C=C(OCC(=O)O)C=C1 JFD02894 [0,2,0,0,0,0|0,0,0]=2 88 B13R1.15 N\C(COC1=CC(Cl)=CC=C1)=N/O SPB01345 [0,2,0,0,0,0|1,0,0]=3 89 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 DSHS00133 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.528 N\C(COC1=CC=CC=C1Cl)=N/O SPB01570 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.418 N#CC(CC1=CC=CC=C1)C(=O)O BTB11640 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O JFD03250 [0,2,0,0,0,0|1,0,1]=4 93 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 BTB02522 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.90 COC1=CC=CC=C1OCC(N)=O SPB08038 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.150 CC1=C(SCC(=O)O)C=CC=C1Cl BTB08831 [0,2,0,0,0,0|0,1,0]=3 96 B13R1.150 O=C(O)CSC1=C(Cl)C(Cl)=CC=C1 BTB08713 [0,2,0,0,0,0|0,1,0]=3 97 B13R1.3787 CC1=NC=CC(O)=C1OCC(=O)O RF01266 [0,2,0,0,0,0|1,0,0]=3 98 B13R1.3420 NC(=S)COC1=CC(Cl)=CC(Cl)=C1 SPB01328 [0,2,0,0,0,0|1,1,0]=4 99 B11R2.1 O=C1SNC2=CC=CC=C12 BTB03127 [1,0,0,1,0,0|2,0,0]=4 100 B11R2.10 OC1=NC2=C(C=CC=C2)S1 AC40197 [0,0,0,1,1,0|1,1,0]=4 101 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 KM05451 [0,0,0,1,0,1|2,0,0]=4 102 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 PD00830 [0,0,0,1,0,1|0,0,1]=3 103 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 CC12701 [0,0,0,1,0,1|1,0,1]=4 104 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 CC12301 [0,0,0,1,0,1|0,1,1]=4 105 B13R2.32 CC1=COC2=CC=CC=C2C1=O BTB12529 [0,1,0,1,0,0|1,0,1]=4 106 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 RF01262 [0,1,0,1,0,0|1,0,1]=4 107 B13R2.57 N#CC1COC2=C(C=CC=C2)O1 KM06484 [0,1,0,1,0,0|1,0,1]=4 108 B13R2.57 OCC1COC2=C(C=CC=C2)O1 CC01509 [0,1,0,1,0,0|0,0,2]=4 109 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CC12801 [0,1,0,1,0,0|1,0,1]=4 110 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CC06601 [0,1,0,1,0,0|0,0,1]=3 111 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CC12201 [0,1,0,1,0,0|0,1,1]=4 112 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 KM06597 [0,1,0,1,0,0|1,0,0]=3 113 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 BTB14322 [0,1,0,1,0,0|1,0,0]=3 114 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)O1 CC23901 [0,1,0,1,0,0|0,0,0]=2 115 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 SB00764 [0,1,0,1,0,0|1,0,1]=4 116 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 RJC01304 [0,0,0,0,0,2|0,1,0]=3 117 B13R1.337 O=C(O)CS\C=C\C1=CC=CC=C1 S11590 [0,0,0,0,0,2|0,1,0]=3