0 B12R1.252 CC(=N)NCCC1=CC=NC=C1 CD08170 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 CC(=O)N\N=C\C1=CC=CC=C1 BTB12720 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.252 NC(=O)NCCC1=CC=CC=C1 RJC03754 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SB02007 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.252 O=C(O)CCOC1=CC=CC=C1 RJC00749 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.252 O=C(O)CCSC1=CC=CC=C1 JFD00825 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CD04055 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl RH00850 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O XBX00173 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.513 CC1=CC=C(OCCC(=O)O)C=C1 RJC00750 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 JFD00826 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 RH01022 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 RJC00752 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 SEW01421 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 HTS11100 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.718 CNC(=S)NCCC1=CC=CC=C1 RDR01004 [0,1,0,0,0,0|1,1,0]=3 16 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 RDR00814 [0,1,0,0,0,0|2,1,0]=4 17 B13R1.3523 CS(=O)(=O)NCCC1=CC=NC=C1 BTB03439 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 SEW01809 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 RF00778 [0,0,0,1,0,0|1,0,1]=3 20 B13R2.72 CC(=O)C1=CSC2=CC=CC=C21 S10994 [0,0,0,1,0,0|2,0,1]=4 21 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 KM05451 [0,0,0,1,0,0|1,0,0]=2 22 B13R2.72 NC(=O)C1=CCC2=C1C=CC=C2 SEW05817 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [0,0,0,0,1,0|2,0,0]=3 26 B11R1.91 NC(=O)NCC1=NC=CC=C1 BTB05401 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.91 NC(=O)NNC1=CC=CC=C1 S14722 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.91 NC(=S)COC1=CC=CC=C1 SPB05907 [0,0,0,0,1,0|2,1,0]=4 29 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [0,0,0,0,1,0|2,1,0]=4 30 B11R1.91 O=C(O)CCC1=CC=CN=C1 HTS01877 [0,0,0,0,1,0|2,0,0]=3 31 B11R1.91 O=C(O)CSC1=NC=CC=C1 BTB05540 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.172 CC(=O)NCCC1=CNC=N1 AC22864 [0,0,0,0,1,0|3,0,0]=4 33 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 RJC01304 [0,0,0,0,0,1|1,1,0]=3 34 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [0,1,0,0,1,0|1,0,0]=3 35 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [0,1,0,0,1,0|2,0,0]=4 36 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 SPB05735 [0,1,0,0,1,0|2,0,0]=4 37 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 S14532 [0,1,0,0,1,0|2,0,0]=4 38 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [0,1,0,0,1,0|1,0,0]=3 41 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 JFD03490 [0,1,0,0,1,0|1,0,0]=3 42 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 HTS06398 [0,1,0,0,1,0|1,0,0]=3 43 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [0,1,0,0,1,0|1,0,1]=4 44 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 RH01533 [0,1,0,0,1,0|1,0,0]=3 45 B12R1.125 CC(=O)NCC1=CC=CC=C1Br NRB00715 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 S12185 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 BTB08167 [0,1,0,0,1,0|2,0,0]=4 48 B14R1.423 CC(=O)CNC(=O)CC1=CC=CC=C1 BTB09315 [0,1,0,0,0,1|1,0,1]=4 49 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 BTB13412 [0,1,0,0,0,1|1,0,1]=4 50 B14R1.818 CC(=O)NC(=O)NCC1=CC=CC=C1 RJC03822 [0,1,0,0,0,1|1,0,1]=4 51 B14R1.818 CC(=O)NC(C)CCC1=CC=CC=C1 JFD03491 [0,1,0,0,0,1|1,0,0]=3 52 B14R1.6449 [C@H](N)(COCC1=CC=CC=C1)C(=O)O RJC01683 [0,1,0,0,0,1|2,0,0]=4 53 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 TL00561 [0,2,0,0,0,0|0,0,1]=3 54 B14R1.813 CC(=O)CCS(=O)(=O)C1=CC=CC=C1 FM00330 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.96 COC1=CC=CC=C1CCNC(N)=O S14531 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.4920 CC(=O)NCCC1=C(F)C=CC=C1Cl CD07767 [0,2,0,0,0,0|1,0,0]=3 57 B14R1.13 CNC(=O)NCCC1=CC=C(Cl)C=C1 CD08666 [0,2,0,0,0,0|1,0,0]=3 58 B14R1.13 COC(=O)CCNC1=CC=C(Cl)C=C1 EN00152 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.520 N#CCC(=O)NCCC1=NC=CC=C1 DP00485 [0,2,0,0,0,0|2,0,0]=4 60 B12R2.1081 O=C1CSCC2=C1C=CC=C2 CD04109 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.1081 S=C1NCCC2=CC=CC=C12 MWP00430 [1,0,0,1,0,0|1,1,0]=4 62 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [0,0,0,1,1,0|2,0,0]=4 63 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 RB00326 [0,0,0,1,1,0|2,0,0]=4 64 B14R2.19 O=C1C=C(NC2=CC=CC=C2)CO1 BTB11211 [0,0,0,1,0,1|0,0,2]=4 65 B14R2.300 CC(=O)N1CCC2=CC(Br)=CC=C21 KM08258 [0,1,0,1,0,0|1,0,0]=3 66 B14R2.8053 CC(=O)N1CCC2=CC=CC(N)=C21 RH00439 [0,1,0,1,0,0|1,0,0]=3 67 B14R2.781 O=C(O)C1CCC2=CC=CC=C2C1 BTB10042 [0,1,0,1,0,0|2,0,0]=4 68 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 RJC01246 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [0,0,0,0,2,0|1,1,0]=4 70 B10R1.66 O=C(O)CCC1=CC=CS1 RJC01494 [0,0,0,0,2,0|2,0,0]=4 71 B14R1.422 O=C(O)CSCCOC1=CC=CC=C1 KM06649 [0,0,0,0,0,2|1,1,0]=4