0 B12R2.252 O=C(O)C1=CC2=C(N=CS2)N1 CS-0050840 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 CS-0217179 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.15 OCC1=CC2=C(C=CS2)S1 CS-0215723 [1,0,0,0,0,0|1,0,1]=3 3 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 CS-0123136 [0,1,0,0,0,0|0,1,0]=2 4 B13R2.400 O=C(O)C1=CC2=C(C=C(Br)S2)S1 CS-0531994 [0,1,0,0,0,0|1,0,0]=2 5 B13R2.400 O=C(O)C1=CN2C=C(Br)SC2=N1 CS-W021627 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 CS-0308336 [0,1,0,0,0,0|0,1,0]=2 7 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 CS-0100849 [0,1,0,0,0,0|2,0,0]=3 8 B13R2.531 COC(=O)C1=CC2=C(N=CS2)S1 CS-0150777 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.2334 CC1=C(C(=O)O)N=C2SC=CN21 CS-0249542 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.2334 CC1=C(C(=O)O)SC2=C1SC=C2 CS-0247818 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 CS-0123152 [0,1,0,0,0,0|0,0,0]=1 12 B13R2.2334 O=C(O)C1=C(Br)C2=C(C=CO2)N1 CS-0480067 [0,1,0,0,0,0|0,1,0]=2 13 B13R2.2334 O=C(O)C1=C(Cl)C2=C(SC=C2)S1 CS-0233482 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 CS-0170898 [0,1,0,0,0,0|0,0,0]=1 15 B13R2.3678 O=C(O)C1=CC2=C(S1)C(Br)=CS2 CS-0525780 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.35 CC(CC1=CC=CS1)C(=O)O CS-0262892 [0,0,1,0,0,0|1,0,2]=4 17 B11R1.35 C\C(=C/C1=CC=CO1)C(=O)O CS-0243711 [0,0,1,0,0,0|1,1,0]=3 18 B11R1.35 NC(CC1=CC=CN1)C(=O)O CS-0005389 [0,0,1,0,0,0|1,0,2]=4 19 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O CS-0136614 [0,0,1,0,0,0|0,1,2]=4 20 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O CS-0438216 [0,0,1,0,0,0|0,1,2]=4 21 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 CS-0074430 [0,0,1,0,0,0|1,0,1]=3 22 B11R1.35 O=C(O)C(=O)NC1=NC=CS1 CS-0313919 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.90 CC1=C(\C=C\C(=O)O)C=CO1 CS-0757258 [0,0,1,0,0,0|1,1,1]=4 24 B11R1.124 COCC1=CNC(C(=O)O)=C1 CS-0111735 [0,0,1,0,0,0|2,0,1]=4 25 B13R2.430 CC(=O)C1=CC2=C(C=C1)OC=C2 CS-0449409 [0,0,0,0,0,1|2,1,0]=4 26 B13R2.430 CC(=O)C1=CC=C2C=COC2=C1 CS-0697930 [0,0,0,0,0,1|2,1,0]=4 27 B13R2.430 CC(=O)C1=CC=C2SC=CC2=C1 CS-0088175 [0,0,0,0,0,1|2,0,0]=3 28 B13R2.430 CC(=O)C1=CN=C2C=CSC2=C1 CS-0262453 [0,0,0,0,0,1|1,0,1]=3 29 B13R2.430 NC(=O)C1=CC2=C(C=CN2)C=C1 CS-0570501 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.430 O=C(O)C1=CC2=CC=CN2C=C1 CS-0498614 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 CS-0184753 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.430 O=C(O)C1=CC=C2C=CSC2=C1 CS-0242385 [0,0,0,0,0,1|1,0,0]=2 33 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 CS-0530050 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 CS-0070390 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.430 O=C(O)C1=NC2=CC=NN2C=C1 CS-0080436 [0,0,0,0,0,1|2,0,1]=4 36 B13R2.430 O=C(O)C1=NN2C=CN=C2C=C1 CS-W022761 [0,0,0,0,0,1|2,0,1]=4 37 B13R2.435 NC(=O)C1=CC2=C(C=CN=C2)N1 CS-0673194 [0,0,0,0,0,1|2,0,0]=3 38 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 CS-0052498 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.435 NC(=S)C1=CC2=CC=CC=C2N1 CS-0199191 [0,0,0,0,0,1|2,1,0]=4 40 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)S1 CS-0454156 [0,0,0,0,0,1|2,0,0]=3 41 B13R2.435 O=C(O)C1=CC2=CN=CN=C2N1 CS-0050019 [0,0,0,0,0,1|2,0,0]=3 42 B13R2.435 O=C(O)C1=CC2=NC=CC=C2O1 CS-0106542 [0,0,0,0,0,1|2,0,0]=3 43 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS-0037560 [0,0,0,0,0,1|2,0,1]=4 44 B13R2.435 O=C(O)C1=NC2=C(C=CC=N2)N1 CS-0155700 [0,0,0,0,0,1|2,0,0]=3 45 B13R2.435 OB(O)C1=CC2=CC=CC=C2N1 CS-0450005 [0,0,0,0,0,1|2,0,1]=4 46 B13R2.543 O=C(O)CC1=CN2C=CSC2=N1 CS-0071806 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.27 C\C(C=O)=C/C1=CC=CO1 CS-0235928 [1,0,1,0,0,0|1,1,0]=4 48 B10R1.66 C(C(=O)O)=CC1=NC=CS1 CS-W000655 [1,0,1,0,0,0|1,0,0]=3 49 B10R1.66 CC(=O)\C=C\C1=CC=CS1 CS-0182830 [1,0,1,0,0,0|1,0,0]=3 50 B10R1.66 CC(=O)\C=C\C1=CC=CS1 CS-0369516 [1,0,1,0,0,0|1,0,0]=3 51 B10R1.66 O=C(O)CSC1=CC=CS1 CS-0246633 [1,0,1,0,0,0|1,0,1]=4 52 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 CS-0052105 [1,0,1,0,0,0|1,0,1]=4 53 B10R1.31 CCC1=CC=C(C(=O)O)N1 CS-0089412 [1,0,1,0,0,0|0,0,2]=4 54 B10R1.31 N#CC1=CNC(C(=O)O)=C1 CS-0055015 [1,0,1,0,0,0|1,0,1]=4 55 B10R1.31 O=CC1=COC(C(=O)O)=C1 CS-0528778 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 CS-W000758 [1,0,1,0,0,0|0,0,2]=4 57 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 CS-0451417 [1,0,1,0,0,0|2,0,0]=4 58 B10R2.2 CC1=CC2=C(C=CS2)S1 CS-0507446 [2,0,0,0,0,0|1,0,1]=4 59 B12R1.104 C\C(=C/C1=CC=C(Br)O1)C(=O)O CS-0246822 [0,1,1,0,0,0|1,1,0]=4 60 B12R1.104 NC(CC1=CC=C(Br)S1)C(=O)O CS-0465955 [0,1,1,0,0,0|0,0,2]=4 61 B12R1.104 N[C@@H](CC1=CC(Br)=CS1)C(=O)O CS-0343811 [0,1,1,0,0,0|0,0,2]=4 62 B12R1.104 N[C@@H](CC1=CC=C(Cl)S1)C(=O)O CS-0459516 [0,1,1,0,0,0|0,0,2]=4 63 B12R1.104 N[C@H](CC1=CC=C(Br)S1)C(=O)O CS-0157764 [0,1,1,0,0,0|0,0,2]=4 64 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 CS-1045882 [0,1,1,0,0,0|0,0,2]=4 65 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)S1 CS-0071323 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2S1 CS-0112576 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.624 O=C(O)C1=C(O)C=C2NC=CC2=C1 CS-0692962 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.624 O=C(O)C1=CC2=C(C=CN2)C=C1Br CS-0477090 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.966 COC(=O)C1=CC=C2C=CSC2=C1 CS-0642304 [0,1,0,0,0,1|1,0,0]=3 70 B14R2.966 COC(=O)C1=NC2=C(C=C1)OC=C2 CS-0445176 [0,1,0,0,0,1|0,1,1]=4 71 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)SC=C2 CS-0315281 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.5998 O=C(O)C1=CN=C2SC=CN2C1=O CS-0072028 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.8824 CC1=CC(C(=O)O)=CC2=C1C=CN2 CS-0198954 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.8824 O=C(O)C1=NC(Cl)=C2OC=CC2=C1 CS-0050040 [0,1,0,0,0,1|1,1,0]=4 75 B14R2.24358 O=C(O)C1=CC2=C(C=C1)NC=C2I CS-0259352 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.450 CC1=C(C(=O)O)CC2=CC=CC=C21 CS-W017502 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=N2)S1 CS-0183239 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.450 O=C(O)C1=C(I)C2=CC=CC=C2N1 CS-0448015 [0,1,0,0,0,1|1,0,0]=3 79 B14R2.972 COC(=O)C1=CC2=CC=NC=C2N1 CS-0183735 [0,1,0,0,0,1|1,0,0]=3 80 B14R2.972 COC(=O)C1=CC2=CN=CC=C2S1 CS-0081744 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)N1 CS-0054221 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.972 O=C(CCl)C1=CC2=C(C=CC=C2)N1 CS-0236558 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Br)=C2)N1 CS-0240173 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 CS-0973424 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.4529 CC1=CC2=C(C=C1)SC(C(=O)O)=C2 CS-0307904 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.4529 NC(=O)C1=CC2=C(C=C(Br)C=C2)N1 CS-0461145 [0,1,0,0,0,1|2,0,0]=4 87 B14R2.4529 NC1=CC=C2NC(C(=O)O)=CC2=C1 CS-0309268 [0,1,0,0,0,1|1,0,0]=3 88 B14R2.4529 NC1=CC=C2SC(C(=O)O)=CC2=C1 CS-0206165 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)S1 CS-0370255 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 CS-0050555 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2S1 CS-0445721 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2O1 CS-0043690 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2S1 CS-0506258 [0,1,0,0,0,1|2,0,0]=4 94 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)N=C2N1 CS-0055227 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.4529 O=C(O)C1=CC2=NC(Cl)=CC=C2N1 CS-0053831 [0,1,0,0,0,1|1,0,0]=3 96 B14R2.4529 O=C(O)C1=NC2=C(C=CC(F)=C2)N1 CS-0208336 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.4529 O=C(O)C1=NC2=CC=C(F)C=C2N1 CS-0719235 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.7969 CC1=C2N=C(C(=O)O)NC2=CC=C1 CS-0172078 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.7969 NC(=O)C1=CC2=C(N1)C(N)=CC=C2 CS-0249806 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.7969 NC1=C2C=C(C(=O)O)NC2=CC=C1 CS-0156992 [0,1,0,0,0,1|1,0,0]=3 101 B14R2.7969 NC1=CC=CC2=C1OC(C(=O)O)=C2 CS-0198868 [0,1,0,0,0,1|2,0,0]=4 102 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)O1 CS-0508297 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 CS-0050947 [0,1,0,0,0,1|1,0,0]=3 104 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2S1 CS-0757828 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2N1 CS-0470678 [0,1,0,0,0,1|1,0,0]=3 106 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 CS-0112301 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)S1 CS-0188221 [0,2,0,0,0,0|1,0,0]=3 108 B14R2.839 CCOC(=O)C1=CC2=C(N=CS2)N1 CS-0049459 [0,2,0,0,0,0|1,0,0]=3 109 B10R1.23 CC(C(=O)O)C1=CC=CS1 CS-0217690 [0,0,1,0,1,0|1,0,1]=4 110 B10R1.23 NC(C(=O)O)C1=CC=CS1 CS-0307913 [0,0,1,0,1,0|0,0,1]=3 111 B10R1.23 NC(C(=O)O)C1=CSC=C1 CS-0308875 [0,0,1,0,1,0|1,0,1]=4 112 B10R1.23 O=C(O)C(O)C1=CSC=C1 CS-0238304 [0,0,1,0,1,0|1,0,1]=4 113 B10R1.23 [C@@H](N)(C(=O)O)C1=CC=CS1 CS-W010913 [0,0,1,0,1,0|0,0,1]=3 114 B10R1.23 [C@@H](N)(C(=O)O)C1=CSC=C1 CS-W017971 [0,0,1,0,1,0|1,0,1]=4 115 B10R1.23 [C@H](N)(C(=O)O)C1=CC=CS1 CS-W017972 [0,0,1,0,1,0|0,0,1]=3 116 B10R1.64 CC1=C(CC(=O)O)C=CS1 CS-0236607 [0,0,1,0,1,0|0,0,2]=4 117 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O CS-0076998 [0,0,1,0,0,1|2,0,0]=4 118 B12R1.43 O=C(O)\C(Cl)=C\C1=CC=CC=C1 CS-0212705 [0,0,1,0,0,1|2,0,0]=4 119 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 CS-0130442 [0,0,1,0,0,1|2,0,0]=4 120 B12R1.226 O=C(O)\C=C\C1=NC(Br)=CC=C1 CS-0671738 [0,0,1,0,0,1|2,0,0]=4 121 B12R1.113 C=CCC1=CC=C(C(=O)O)C=C1 CS-0569910 [0,0,1,0,0,1|2,0,0]=4 122 B12R1.279 C=CCC1=CC(C(=O)O)=CC=C1 CS-0267253 [0,0,1,0,0,1|2,0,0]=4 123 B12R2.32 O=CC1=CC2=CC=NC=C2S1 CS-0215782 [1,0,0,0,0,1|2,0,0]=4 124 B12R2.32 OCC1=CC2=CC=CN=C2N1 CS-0053832 [1,0,0,0,0,1|1,0,1]=4 125 B12R2.44 OCC1=CC2=C(C=CS2)C=C1 CS-0187309 [1,0,0,0,0,1|1,0,1]=4 126 B14R2.781 O=C(O)C1=CC2=C(N=CC=N2)N=C1 CS-0233722 [0,0,0,0,0,2|1,0,1]=4 127 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 CS-0681584 [0,0,0,0,0,2|2,0,0]=4 128 B14R2.781 O=C(O)C1=CC=C2OC=COC2=C1 CS-0697881 [0,0,0,0,0,2|1,1,0]=4 129 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 CS-0006527 [0,0,0,0,0,2|1,0,1]=4 130 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OC=C2 CS-0186435 [0,0,0,0,0,2|1,1,0]=4 131 B14R2.768 O=C([O-])CC1=CC2=C(C=CC=C2)N1 CS-0333881 [0,0,0,0,0,2|1,0,1]=4