0 B14R1.29 CCCC(C)CC(=O)C1=CC=CC=C1 CS17515 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS11380 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 CS10017 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 CS14849 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42230 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42231 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.11 COC(=O)CN(C)C1=NC=CC=C1 CS17411 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 MC21065 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.42 CCOC(=O)COC1=CC=CN=C1 CS19787 [1,0,0,0,0,0|2,0,0]=3 10 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Br)C=C1 CS10072 [0,1,0,0,0,0|0,0,0]=1 11 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Cl)C=C1 CS18216 [0,1,0,0,0,0|0,0,0]=1 12 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(F)C=C1 CS18136 [0,1,0,0,0,0|0,0,0]=1 13 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(I)C=C1 MC433956 [0,1,0,0,0,0|0,0,0]=1 14 B15R1.3722 CCOC(=O)CC(=O)C1=C(Br)C=CC=C1 MC431637 [0,1,0,0,0,0|0,0,0]=1 15 B15R1.3722 CCOC(=O)CC(=O)C1=C(Cl)C=CC=C1 CS18103 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 MC425900 [0,0,0,0,1,0|1,0,1]=3 17 B13R1.47 CCOC(=O)C(N)C1=NC=CC=C1 MC105176 [0,0,0,0,1,0|2,0,1]=4 18 B13R1.47 CCOC(=O)C(N)c1ccccc1 MC438107 [0,0,0,0,1,0|1,0,1]=3 19 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 MC20544 [0,0,0,0,1,0|0,0,2]=3 20 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [2,0,0,0,0,0|0,0,1]=3 21 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [2,0,0,0,0,0|0,0,0]=2 23 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [2,0,0,0,0,0|0,0,2]=4 26 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [2,0,0,0,0,0|0,0,1]=3 27 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 MC433970 [1,1,0,0,0,0|0,0,0]=2 28 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 MC429575 [1,1,0,0,0,0|0,0,0]=2 29 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 CS19688 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 MC103826 [1,1,0,0,0,0|1,0,1]=4 31 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 MC103827 [1,1,0,0,0,0|1,0,1]=4 32 B14R1.587 COC(=O)CC(=O)C1=C(Cl)C=CC=C1 MC433969 [1,1,0,0,0,0|0,0,0]=2 33 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 MC445711 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.32 CCOC(=O)\C=C\C1=NC=CC(F)=C1 MC430430 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 MC438087 [1,1,0,0,0,0|0,0,1]=3 36 B14R1.156 O=C(\C=C\C1=CC=CC=C1)NCCO MC445457 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 MC434037 [1,1,0,0,0,0|0,0,2]=4 38 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS12527 [1,1,0,0,0,0|0,0,1]=3 39 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 MC40041 [1,1,0,0,0,0|0,0,1]=3 40 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 MC442444 [1,1,0,0,0,0|0,0,1]=3 41 B14R1.502 CCOC(=O)CCC1=CC=C(N)N=C1 MC429710 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.502 CCOC(=O)CSC1=CC=C(O)C=C1 MC120175 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)N=C1 MC103307 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433908 [1,1,0,0,0,0|0,0,1]=3 45 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 MC431718 [1,1,0,0,0,0|0,0,1]=3 46 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 MC443167 [1,1,0,0,0,0|1,0,0]=3 47 B14R1.598 CCOC(=O)COC1=CC=CN=C1Br MC33500 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.598 CCOC(=O)COC1=NC=CC=C1O MC443819 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.35 C=C(C(=O)OCC)C1=CC=C(Br)C=C1 CS16512 [0,1,0,0,1,0|1,0,0]=3 50 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 MC425584 [0,1,0,0,1,0|0,0,0]=2 51 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 CS10064 [0,1,0,0,1,0|0,0,0]=2 52 B14R1.35 CCOC(=O)C(Br)C1=CC=C(Br)C=C1 MC40032 [0,1,0,0,1,0|1,0,1]=4 53 B14R1.35 CCOC(=O)C(Br)c1ccc(Cl)cc1 MC40029 [0,1,0,0,1,0|1,0,1]=4 54 B14R1.35 CCOC(=O)C(O)C1=CC=C(F)C=C1 MC425015 [0,1,0,0,1,0|0,0,2]=4 55 B14R1.510 CCOC(=O)C(F)(F)C1=CC=CC=C1 MC430943 [0,1,0,0,1,0|1,0,1]=4 56 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(C)C=C1 MC430268 [0,1,0,0,0,1|0,0,0]=2 57 B16R1.1124 COC(=O)C(=O)CC(=O)C1=CC=C(Cl)C=C1 MC430664 [0,2,0,0,0,0|2,0,0]=4 58 B16R1.4218 CCOC(=O)CC(=O)C1=CC=C(OC)C=C1 CS18217 [0,2,0,0,0,0|0,0,0]=2 59 B16R1.24755 CCOC(=O)CC(=O)C1=C(Cl)C=C(Cl)C=C1 CS21791 [0,2,0,0,0,0|0,0,0]=2 60 B16R1.1522 CCOC(=O)\C=C(/OC)C1=CC(F)=CC=C1 MC111834 [0,2,0,0,0,0|0,0,2]=4 61 B16R1.4212 CCOC(=O)CC(=O)C1=C(F)C=CC(F)=C1 MC431202 [0,2,0,0,0,0|0,0,0]=2 62 B16R1.4216 CCOC(=O)CC(=O)C1=CC(F)=CC(F)=C1 MC427337 [0,2,0,0,0,0|0,0,0]=2 63 B16R1.4226 CCOC(=O)CC(=O)C1=CC(C#N)=CC=C1 CS21823 [0,2,0,0,0,0|0,0,0]=2 64 B16R1.7010 CCCCC(=O)NC(=O)C1=C(O)C=CC=C1 MC106118 [0,2,0,0,0,0|2,0,0]=4 65 B16R1.4229 CCOC(=O)CC(=O)C1=NC=CC=C1OC MC427192 [0,2,0,0,0,0|1,0,0]=3 66 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 MC106734 [1,0,0,1,0,0|1,0,1]=4 67 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS21738 [1,0,0,1,0,0|0,0,2]=4 68 B14R2.114 O=C(C1=CC=CC=C1)C2CCNC2 CS15372 [1,0,0,1,0,0|1,0,1]=4 69 B16R2.2899 CC1OC(=O)CC1C(=O)C2=CC=CC=C2 CS17926 [0,0,0,1,0,1|0,0,0]=2 70 B16R2.723 CCOC(=O)C1CC1C2=CC=C(Br)C=C2 MC107576 [0,1,0,1,0,0|1,0,1]=4 71 B16R2.3896 O=C1CCCCC1C(=O)C2=CC=CC=C2 MC443517 [0,1,0,1,0,0|1,0,0]=3 72 B16R2.757 CCOC(=O)C1=C(Br)C2=CC=CC=C2N1 CS10071 [0,1,0,1,0,0|1,0,1]=4 73 B16R2.757 CCOC(=O)C1=C(N)C2=C(C=CC=C2)S1 CS22095 [0,1,0,1,0,0|1,0,1]=4 74 B16R2.757 CCOC(=O)C1=C(O)C2=CC=CC=C2N1 MC106816 [0,1,0,1,0,0|0,0,2]=4 75 B16R2.757 CCOC(=O)C1OC2=NC=CC=C2C1=O MC443583 [0,1,0,1,0,0|1,0,0]=3 76 B16R2.757 CCOC(=O)c1oc2ccccc2c1C MC41783 [0,1,0,1,0,0|1,0,1]=4 77 B16R2.5 CCOC(=O)CC1=CNC2=CC=CC=C12 CS11668 [0,1,0,1,0,0|1,0,0]=3 78 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [1,0,0,0,1,0|0,0,0]=2 79 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [1,0,0,0,1,0|1,0,1]=4 80 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [1,0,0,0,1,0|1,0,1]=4 81 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [1,0,0,0,1,0|0,0,2]=4 82 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [1,0,0,0,1,0|0,0,2]=4 83 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [1,0,0,0,1,0|1,0,0]=3 84 B12R1.32 CCOC(=O)CC1=NC=CC=N1 CS12227 [1,0,0,0,1,0|2,0,0]=4 85 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS11737 [1,0,0,0,0,1|1,0,1]=4 86 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS15465 [1,0,0,0,0,1|0,0,1]=3 87 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 MC103279 [1,0,0,0,0,1|0,0,1]=3 88 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CS16805 [1,0,0,0,0,1|0,0,1]=3