0 B12R2.252 O=C(O)C1=CC2=C(C=CN2)S1 CS-0038040 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 CS-0093690 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.252 O=C(O)C1=CC2=C(NC=C2)N1 CS-0098488 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.252 O=C(O)C1=CC2=C(NC=N2)N1 CS-0098478 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.252 OB(O)C1=CC2=C(C=CS2)S1 CS-0088143 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.15 O=CC1=CN2C=CN=C2S1 CS-0077337 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.15 O=CC1=CN2C=CSC2=N1 CS-0078391 [1,0,0,0,0,0|1,0,1]=3 7 B11R2.15 OCC1=CC2=C(N1)SC=C2 CS-0092840 [1,0,0,0,0,0|0,0,1]=2 8 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 CS-0042687 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.400 CC1=NN2C=C(C(=O)O)N=C2S1 CS-0080523 [0,1,0,0,0,0|2,0,1]=4 10 B13R2.400 O=C(O)C1=CC2=C(C=C(Br)S2)N1 CS-0080386 [0,1,0,0,0,0|2,0,0]=3 11 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 CS-0100849 [0,1,0,0,0,0|0,0,0]=1 12 B13R2.531 COC(=O)C1=CC2=C(NC=C2)N1 CS-0098487 [0,1,0,0,0,0|1,0,0]=2 13 B13R2.531 COC(=O)C1=CC2=C(NC=N2)N1 CS-0098479 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CS-M3349 [0,0,1,0,0,0|2,0,1]=4 15 B11R1.124 COCC1=CNC(C(=O)O)=C1 CS-0111735 [0,0,1,0,0,0|2,0,1]=4 16 B13R2.430 CC(=O)C1=CC2=C(C=CN2)C=C1 CS-0060852 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.430 CC(=O)C1=CC=C2SC=CC2=C1 CS-0088175 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.430 CC(=O)C1=CN=C2NC=CC2=C1 CS-0052658 [0,0,0,0,0,1|2,0,1]=4 19 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=N1 CS-0068313 [0,0,0,0,0,1|1,1,0]=3 20 B13R2.430 O=C(O)C1=CC2=C(N=C1)SC=C2 CS-0047853 [0,0,0,0,0,1|0,0,1]=2 21 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 CS-0082383 [0,0,0,0,0,1|2,0,1]=4 22 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 CS-0021521 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 CS-0049334 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 CS-0052492 [0,0,0,0,0,1|2,0,1]=4 25 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 CS-W005545 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 CS-0035932 [0,0,0,0,0,1|2,0,1]=4 27 B13R2.430 O=C(O)C1=CN2N=CC=C2N=C1 CS-0048738 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.430 O=C(O)C1=CN=C2C=CNC2=N1 CS-0091819 [0,0,0,0,0,1|1,0,1]=3 29 B13R2.430 O=C(O)C1=CN=C2C=NNC2=C1 CS-0052508 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.430 O=C(O)C1=NC2=C(C=C1)C=NN2 CS-0052518 [0,0,0,0,0,1|2,0,1]=4 31 B13R2.430 O=C(O)C1=NC=C2C=CNC2=N1 CS-0080695 [0,0,0,0,0,1|1,0,1]=3 32 B13R2.430 O=C(O)C1=NC=C2C=CSC2=C1 CS-0081738 [0,0,0,0,0,1|1,0,0]=2 33 B13R2.430 O=C(O)C1=NC=C2NN=CC2=C1 CS-0052514 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 CS-0052498 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 CS-0084794 [0,0,0,0,0,1|2,0,0]=3 36 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 CS-W023027 [0,0,0,0,0,1|2,0,0]=3 37 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)S1 CS-0088157 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 CS-0006616 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.435 O=C(O)C1=CC2=CN=CC=C2S1 CS-0082386 [0,0,0,0,0,1|2,0,0]=3 40 B13R2.435 O=C(O)C1=CC2=CN=CN=C2S1 CS-0046689 [0,0,0,0,0,1|2,0,0]=3 41 B13R2.435 O=C(O)C1=CC2=NC=CC=C2O1 CS-0106542 [0,0,0,0,0,1|2,0,0]=3 42 B10R1.66 O=C(O)\C=C\C1=CC=CS1 CS-W018039 [1,0,1,0,0,0|1,0,0]=3 43 B10R1.31 CCC1=CC=C(C(=O)O)N1 CS-0089412 [1,0,1,0,0,0|0,0,2]=4 44 B10R1.31 CSC1=CC=C(C(=O)O)S1 CS-W017496 [1,0,1,0,0,0|1,0,1]=4 45 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 CS-0060159 [1,0,1,0,0,0|2,0,0]=4 46 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2S1 CS-0112576 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.601 O=C1NC2=CC=C(C(=O)O)C=C2S1 CS-0106203 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.624 O=C(O)C1=C(F)C=C2NC=CC2=C1 CS-0060714 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.624 O=C(O)C1=CC2=C(C=CN2)C=C1Cl CS-0050543 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 CS-0049233 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.966 COC(=O)C1=NC=C2C=CNC2=C1 CS-0049231 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.966 COC(=O)C1=NC=C2C=CNC2=N1 CS-0048912 [0,1,0,0,0,1|1,0,1]=4 53 B14R2.966 COC(=O)C1=NC=C2C=CSC2=C1 CS-0081743 [0,1,0,0,0,1|1,0,0]=3 54 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CN=C21 CS-0004410 [0,1,0,0,0,1|1,0,1]=4 55 B14R2.5998 O=C(O)C1=CC=C2OC=CC2=C1O CS-0038619 [0,1,0,0,0,1|1,1,0]=4 56 B14R2.5998 O=C(O)C1=CN=C2C=CSC2=C1Cl CS-0050034 [0,1,0,0,0,1|1,0,0]=3 57 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1F CS-0050860 [0,1,0,0,0,1|1,0,1]=4 58 B14R2.8824 CC1=C2NC=CC2=CC(C(=O)O)=C1 CS-0050003 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.8824 O=C(O)C1=CC(Br)=C2C=CNC2=C1 CS-0051013 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.8824 O=C(O)C1=CC(Br)=C2C=CNC2=N1 CS-0051008 [0,1,0,0,0,1|1,0,1]=4 61 B14R2.8824 O=C(O)C1=CC(Cl)=C2C=CNC2=N1 CS-0050945 [0,1,0,0,0,1|1,0,1]=4 62 B14R2.8824 O=C(O)C1=CC(O)=C2SC=CC2=C1 CS-0099895 [0,1,0,0,0,1|1,0,0]=3 63 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(Cl)=C1 CS-0050949 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.8824 O=C(O)C1=CC2=C(NC=C2)C(Br)=C1 CS-0091807 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.8824 O=C(O)C1=CC2=C(OC=C2)C(Br)=C1 CS-0050104 [0,1,0,0,0,1|1,1,0]=4 66 B14R2.8824 O=C(O)C1=NC(Cl)=C2C=CSC2=N1 CS-0089642 [0,1,0,0,0,1|0,0,1]=3 67 B14R2.8824 O=C(O)C1=NC(Cl)=C2OC=CC2=C1 CS-0050040 [0,1,0,0,0,1|0,1,1]=4 68 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 CS-0105028 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.450 CN1C(C(=O)O)=CC2=CC=CN=C21 CS-0052460 [0,1,0,0,0,1|1,0,0]=3 70 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 CS-0038013 [0,1,0,0,0,1|1,0,0]=3 71 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CN=C2S1 CS-0084894 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 CS-0055581 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS-D0719 [0,1,0,0,0,1|1,0,0]=3 74 B14R2.972 COC(=O)C1=CC2=CN=CC=C2S1 CS-0081744 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 CS-D0493 [0,1,0,0,0,1|1,0,0]=3 76 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=N1 CS-0050169 [0,1,0,0,0,1|1,0,0]=3 77 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 CS-0062592 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 CS-0062601 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.4529 CC1=CN=C2NC(C(=O)O)=CC2=C1 CS-0050442 [0,1,0,0,0,1|1,0,0]=3 80 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Br)=C2)N1 CS-0062132 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.4529 NC1=CN=C2NC(C(=O)O)=CC2=C1 CS-0050696 [0,1,0,0,0,1|1,0,0]=3 82 B14R2.4529 NC1=NC=C2C=C(C(=O)O)SC2=N1 CS-0046532 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 CS-0036482 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.4529 O=C(O)C1=CC2=C(N=C(Br)C=C2)N1 CS-0050310 [0,1,0,0,0,1|1,0,0]=3 85 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 CS-0062572 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 CS-0050645 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 CS-0050555 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 CS-W010579 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2O1 CS-0062578 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2O1 CS-0043690 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2O1 CS-0062590 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 CS-0050309 [0,1,0,0,0,1|1,0,0]=3 93 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 CS-0050234 [0,1,0,0,0,1|1,0,0]=3 94 B14R2.4529 O=C(O)C1=NC2=CC(Br)=CC=C2N1 CS-D0219 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.7969 CC1=C2C=C(C(=O)O)SC2=CC=C1 CS-0093886 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.7969 CC1=C2OC(C(=O)O)=CC2=CC=C1 CS-0062591 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 CS-0060079 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 CS-0050947 [0,1,0,0,0,1|1,0,0]=3 99 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 CS-0050882 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.7969 O=C(O)C1=CC2=C(NC=NC2=O)S1 CS-0110099 [0,1,0,0,0,1|2,0,0]=4 101 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 CS-0112301 [0,1,0,0,0,1|2,0,0]=4 102 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2N1 CS-0050052 [0,1,0,0,0,1|1,0,0]=3 103 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 CS-0050035 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.7969 O=C(O)C1=NC2=C(N=CC=C2Cl)N1 CS-0050046 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.10815 COC(=O)C1=CC2=C(C=C(Br)S2)N1 CS-0078997 [0,2,0,0,0,0|2,0,0]=4 106 B14R2.10815 COC(=O)C1=CC2=C(C=C(C)S2)N1 CS-0080387 [0,2,0,0,0,0|2,0,0]=4 107 B14R2.10815 COC(=O)C1=CC2=C(C=C(Cl)S2)N1 CS-0080388 [0,2,0,0,0,0|2,0,0]=4 108 B14R2.10815 COC(=O)C1=CC2=C(N1)NC(C)=N2 CS-0098480 [0,2,0,0,0,0|2,0,0]=4 109 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=N2 CS-0049458 [0,2,0,0,0,0|1,0,0]=3 110 B14R2.839 CCOC(=O)C1=CC2=C(N=CS2)N1 CS-0049459 [0,2,0,0,0,0|2,0,0]=4 111 B14R2.839 CCOC(=O)C1=CC2=C(NC=C2)N1 CS-0098486 [0,2,0,0,0,0|1,0,0]=3 112 B14R2.839 CCOC(=O)C1=CC2=C(NC=N2)N1 CS-0098482 [0,2,0,0,0,0|2,0,0]=4 113 B14R2.10637 COC(=O)C1=CC2=C(N1)C(Cl)=CS2 CS-0080723 [0,2,0,0,0,0|2,0,0]=4 114 B12R2.1362 O=C(O)C1=CN=C2SC=CN12 CS-0005547 [0,0,1,1,0,0|1,0,0]=3 115 B10R1.23 O=C(O)C(F)C1=CC=CS1 CS-0104544 [0,0,1,0,1,0|1,0,1]=4 116 B10R1.23 O=C(O)C(F)C1=CSC=C1 CS-0104545 [0,0,1,0,1,0|1,0,1]=4 117 B12R1.11 CSC1=NC(=O)C=C(C(=O)O)N1 CS-0078727 [0,0,1,0,0,1|1,0,1]=4 118 B12R1.125 C(C(=O)O)=CC1=CC=CC=C1Br CS-W014204 [0,0,1,0,0,1|2,0,0]=4 119 B12R2.32 O=CC1=CC2=C(C=CN=C2)S1 CS-0060710 [1,0,0,0,0,1|2,0,0]=4 120 B12R2.32 O=CC1=CC2=CC=CN=C2N1 CS-0003988 [1,0,0,0,0,1|1,0,0]=3 121 B12R2.32 O=CC1=CC2=CC=CN=C2S1 CS-0084890 [1,0,0,0,0,1|2,0,0]=4 122 B12R2.32 O=CC1=CC2=CN=CN=C2S1 CS-0046523 [1,0,0,0,0,1|2,0,0]=4 123 B12R2.44 O=CC1=CN=C2OC=CC2=C1 CS-0089300 [1,0,0,0,0,1|0,1,1]=4 124 B12R2.44 OCC1=CC=C2SC=CC2=C1 CS-0052635 [1,0,0,0,0,1|1,0,1]=4 125 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 CS-0052127 [0,0,0,0,0,2|1,0,1]=4 126 B14R2.781 O=C(O)C1=NC2=C(C=CC=N2)C=C1 CS-0043745 [0,0,0,0,0,2|1,0,1]=4 127 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 CS-0006527 [0,0,0,0,0,2|1,0,1]=4 128 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 CS-0037477 [0,0,0,0,0,2|2,0,0]=4