0 B14R1.420 C1=CC=C(C=C1)C(=O)CCCC(=O)O B152463 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.420 C1=CC=C(C=C1)C(=O)NCCC(=O)O B129562 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.420 C1=CC=C(C=C1)C(=O)NCCC(=O)O B423509 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 I157720 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 D135366 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 H156993 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.24 CCCCCC(C1=CC=CC=C1)O P160139 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 B110620 [1,0,0,0,0,0|0,0,0]=1 8 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 B110621 [1,0,0,0,0,0|0,0,0]=1 9 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 B110622 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.24 CCCCOC(=O)C1=CN=CC=C1 B331241 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.24 CCCCSC(=O)C1=CC=CC=C1 S161293 [1,0,0,0,0,0|0,1,0]=2 12 B13R1.24 CNCCCC(=O)C1=CN=CC=C1 M406556 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 B464409 [1,0,0,0,0,0|1,0,2]=4 14 B15R1.8019 CC(C)CCOC(=O)C1=CC=CC=C1O I304809 [0,1,0,0,0,0|0,0,0]=1 15 B15R1.9094 C[N+](C)(C)CCOC(=O)C1=CC=CC=C1 B152285 [0,1,0,0,0,0|1,0,0]=2 16 B15R1.9094 C[N+](C)(C)CCOC(=O)C1=CC=CC=C1 B152287 [0,1,0,0,0,0|1,0,0]=2 17 B15R2.59 CC(C)C1COC(=N1)C2=CC=CC=N2 S281527 [0,0,0,1,0,0|2,0,0]=3 18 B15R2.59 CC(C)C1COC(=N1)C2=NC=CN=C2 S587535 [0,0,0,1,0,0|3,0,0]=4 19 B15R2.612 C1C(NC1=O)OC(=O)C2=CC=CC=C2 B153226 [0,0,0,1,0,0|2,0,1]=4 20 B15R2.53147 C1=CC=C2C(=C1)C(OC2=O)CC(=O)O P300273 [0,0,0,1,0,0|2,0,1]=4 21 B13R1.45 C1=CC=C(C=C1)C(=O)CCC(=O)O B152637 [0,0,0,0,1,0|2,0,1]=4 22 B13R1.45 CC(=NOC(=O)C1=CC=CC=C1)C A151672 [0,0,0,0,1,0|1,0,1]=3 23 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 A138520 [0,0,0,0,1,0|2,0,1]=4 24 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 I157710 [0,0,0,0,1,0|0,0,0]=1 25 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 I157444 [0,0,0,0,1,0|3,0,0]=4 26 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 I413131 [0,0,0,0,1,0|3,0,0]=4 27 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 I423163 [0,0,0,0,1,0|3,0,0]=4 28 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 I424684 [0,0,0,0,1,0|3,0,0]=4 29 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 D166408 [0,0,0,0,1,0|1,0,2]=4 30 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 D154638 [0,0,0,0,1,0|1,0,0]=2 31 B13R1.342 CC(C)CCOC(=O)C1=CC=CO1 I157590 [0,0,0,0,1,0|1,0,0]=2 32 B15R1.1081 CC(C)CCOC(=O)CC1=CC=CC=C1 I117673 [0,0,0,0,0,1|0,0,0]=1 33 B12R1.8 C1=CC=C(C=C1)COCCCBr B111397 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.8 C1=CC=C(C=C1)COCCCBr B165144 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.8 C1=CC=C(C=C1)COCCCO B151933 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.8 CCCCC#CC1=CC=CC=C1 P160657 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.8 CCCCCCC1=CC=CC=C1 H107002 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.8 CCCCCCC1=CC=CC=C1 H107003 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.8 CCCCNCC1=CC=CC=C1 N159171 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.30 C1=CC=C(C=C1)C(=O)OCCBr B152726 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.30 C1=CC=C(C=C1)C(=O)OCCCl B140414 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 A151101 [2,0,0,0,0,0|0,0,2]=4 43 B12R1.30 CCCCC(=O)C1=CC=CC=C1 V107009 [2,0,0,0,0,0|0,0,0]=2 44 B12R1.30 CCCCC(C1=CC=CC=C1)O P160160 [2,0,0,0,0,0|0,0,2]=4 45 B12R1.30 CCCCC(C1=CC=CC=C1)O P424881 [2,0,0,0,0,0|0,0,2]=4 46 B12R1.30 CCCOC(=O)C1=CC=CC=C1 P160151 [2,0,0,0,0,0|0,0,0]=2 47 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)C P587587 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)O H156990 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N B102205 [1,1,0,0,0,0|0,0,0]=2 50 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N B427020 [1,1,0,0,0,0|0,0,0]=2 51 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O B108966 [1,1,0,0,0,0|0,0,0]=2 52 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O B108967 [1,1,0,0,0,0|0,0,0]=2 53 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O B108968 [1,1,0,0,0,0|0,0,0]=2 54 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O B427021 [1,1,0,0,0,0|0,0,0]=2 55 B14R1.38 C1=CC=C(C=C1)C(=O)OCCCCCl C154083 [1,1,0,0,0,0|0,0,0]=2 56 B14R1.38 CCCCCCC(=O)C1=CC=CC=C1 H132507 [1,1,0,0,0,0|1,0,0]=3 57 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 A151784 [1,1,0,0,0,0|0,0,0]=2 58 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 B101490 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.46 CCCCOS(=O)(=O)C1=CC=CC=C1 B134546 [1,1,0,0,0,0|1,0,0]=3 60 B14R1.1035 CCCCNC(=O)C1=CC=CC=C1N A586246 [1,1,0,0,0,0|1,0,0]=3 61 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1N B136879 [1,1,0,0,0,0|0,0,0]=2 62 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1O B112695 [1,1,0,0,0,0|0,0,0]=2 63 B14R1.716 C1=CC=C(C=C1)COCCC(CO)O R160962 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 B405431 [1,1,0,0,0,0|0,0,2]=4 65 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O I157509 [0,1,0,0,1,0|0,0,0]=2 66 B14R1.540 CC(C)CC=C(C=O)C1=CC=CC=C1 M107640 [0,1,0,0,1,0|0,0,1]=3 67 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)O I111810 [0,1,0,0,1,0|0,0,0]=2 68 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)O I140599 [0,1,0,0,1,0|0,0,0]=2 69 B14R1.678 CN(C)CCC(=O)C1=CC=C(C=C1)Cl C294582 [0,1,0,0,1,0|1,0,0]=3 70 B14R1.3098 CC(C)(C)OOC(=O)C1=CC=CC=C1 B111162 [0,1,0,0,1,0|1,0,0]=3 71 B14R2.114 C1CCC(C1)C(=O)C2=CC=CC=C2 C120875 [1,0,0,1,0,0|1,0,0]=3 72 B14R2.510 CCC=C1C2=CC=CC=C2C(=O)O1 P160607 [1,0,0,1,0,0|0,0,2]=4 73 B14R2.68 CN1CCC(=CC1)C2=CC=CC=C2 M132847 [0,0,0,1,1,0|2,0,0]=4 74 B14R2.68 CN1CCC(=CC1)C2=CC=CC=C2 M408440 [0,0,0,1,1,0|2,0,0]=4 75 B14R2.403 CC1(COC(=N1)C2=CC=CC=C2)C D168250 [0,0,0,1,1,0|1,0,0]=3 76 B16R2.157 CC(C)CC1COC(=N1)C2=CC=CC=N2 S586345 [0,0,0,1,0,1|2,0,0]=4 77 B16R2.84 CC(C)C1COC(=N1)CC2=CC=CC=N2 S588160 [0,0,0,1,0,1|2,0,0]=4 78 B16R2.141 CCC(C)C1COC(=N1)C2=CC=CC=N2 S586344 [0,1,0,1,0,0|2,0,0]=4 79 B16R2.141 CCC(C)C1COC(=N1)C2=CC=CC=N2 S587511 [0,1,0,1,0,0|2,0,0]=4 80 B16R2.3270 CC(C)C1COC(=N1)C2=CC=CC=C2Br S587331 [0,1,0,1,0,0|1,0,0]=3 81 B16R2.2918 CC1=NC(=CC=C1)C2=NC(CO2)C(C)C S587968 [0,1,0,1,0,0|2,0,0]=4 82 B16R2.2309 CC(C)(C)C1COC(=N1)C2=CC=CC=N2 R281526 [0,1,0,1,0,0|2,0,0]=4 83 B16R2.2309 CC(C)(C)C1COC(=N1)C2=CC=CC=N2 S161186 [0,1,0,1,0,0|2,0,0]=4 84 B12R1.35 CCCCCC(=O)C1=CC=CO1 H339726 [1,0,0,0,1,0|2,0,0]=4 85 B12R1.252 CC(COCC1=CC=CC=C1)O B123078 [1,0,0,0,1,0|1,0,1]=4 86 B12R1.252 CC(COCC1=CC=CC=C1)O B123080 [1,0,0,0,1,0|1,0,1]=4 87 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 D135972 [0,0,0,0,2,0|2,0,0]=4 88 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 B103859 [0,0,0,0,2,0|1,0,1]=4 89 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 I157669 [0,0,0,0,2,0|0,0,0]=2 90 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 I102984 [0,0,0,0,2,0|0,0,0]=2 91 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 B166593 [1,0,0,0,0,1|0,0,0]=2 92 B16R1.608 CC(C)OCNC(=O)OCC1=CC=CC=C1 N468585 [0,0,0,0,0,2|2,0,0]=4