0 B10R1.64 CC(=O)CN1C=CN=C1C CS-0701738 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.64 CC(=O)CN1N=CC=C1C CS-0240725 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.64 CC(=O)SC1=C(C)OC=C1 CS-0119597 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.64 CC1=C(CC(=O)O)C=CS1 CS-0236607 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.64 CN1C=CC=C1CC(=O)O CS-0464801 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.13 CC(=O)CC1=CC=CO1 CS-0071306 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.13 CC(=O)CC1=CC=CS1 CS-0037233 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.13 CC(=O)CC1=CSC=C1 CS-0258395 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.13 CC(=O)NC1=CC=CS1 CS-0075152 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.13 NC(=O)CC1=CSC=C1 CS-0507061 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.13 O=C(O)CC1=COC=C1 CS-0040852 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.33 CCCC1=C(C)SC=C1 CS-0211874 [1,0,0,0,0,0|1,1,1]=4 12 B9R1.33 CNCC1=C(C)OC=C1 CS-0251496 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.33 CSSC1=C(C)OC=C1 CS-0454577 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.57 CC(=O)NC1=C(C=O)SC=C1 CS-0261924 [0,1,0,0,0,0|1,1,1]=4 15 B11R1.228 COC(=O)CC1=CC=CN1C CS-0072032 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.495 CC(=O)CC1=C(C)NN=C1C CS-0315302 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.495 CC(=O)NC1=C(C)NN=C1C CS-0260814 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.645 O=C(O)CC1=CC(=O)OC1=O CS-0204449 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.2 C(C)=C/C=CCOC(C)=O CS-W016457 [0,0,1,0,0,0|1,1,1]=4 20 B9R1.41 CC(=O)C1=C(Br)N=CS1 CS-0161907 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.41 CC(=O)C1=C(Br)SC=C1 CS-0498797 [0,0,0,0,1,0|1,1,0]=3 22 B9R1.41 CC(=O)C1=C(C)ON=C1 CS-0099924 [0,0,0,0,1,0|1,0,0]=2 23 B9R1.41 CC(=O)C1=C(C)SC=N1 CS-0196717 [0,0,0,0,1,0|1,1,0]=3 24 B9R1.41 CC(=O)C1=C(N)C=CS1 CS-W016437 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.41 CC(=O)C1=CC=NN1C CS-W021193 [0,0,0,0,1,0|2,0,0]=3 26 B9R1.41 CC(=O)C1=CNN=C1C CS-0058347 [0,0,0,0,1,0|2,0,0]=3 27 B9R1.41 CC(=O)C1=NON=C1C CS-0214847 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.41 CC1=C(C(C)O)C=NO1 CS-0643838 [0,0,0,0,1,0|1,0,2]=4 29 B9R1.41 CC1=C(C(N)=O)NC=C1 CS-0896517 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.41 CC1=C(C(N)=O)SC=C1 CS-W018301 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.41 CC1=CNC=C1C(=O)O CS-0248274 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.41 NC(=O)C1=C(N)ON=C1 CS-0444133 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.41 NC1=C(C(=O)O)C=CS1 CS-0060720 [0,0,0,0,1,0|2,1,0]=4 34 B11R1.86 CC(=O)CC1=C(C)C=CC=N1 CS-0279849 [0,0,0,0,0,1|2,0,0]=3 35 B11R1.86 CC(=O)NC1=C(Cl)N=CC=C1 CS-0681199 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.86 CC(=O)NC1=CC=CC=C1F CS-0153964 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.86 CC(=O)OC1=C(Br)N=CC=C1 CS-0051984 [0,0,0,0,0,1|2,1,0]=4 38 B11R1.86 CC(=O)OC1=CC=CC=C1Cl CS-0159772 [0,0,0,0,0,1|2,1,0]=4 39 B11R1.86 CC(=O)\N=C1\C=CNC=C1N CS-0308769 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.86 CC1=CC=CC=C1CC(N)=O CS-0258033 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.90 CC1=C(\C=C\C(=O)O)C=CO1 CS-0757258 [0,0,0,0,0,1|2,0,0]=3 42 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 CS-0277313 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 CS-0111923 [0,0,0,0,0,1|2,1,0]=4 44 B11R1.157 CC1=NC(CC(=O)[O-])=CC=C1 CS-0187632 [0,0,0,0,0,1|3,0,0]=4 45 B8R0.23 C=C(NC(C)=O)C(=O)O CS-W011122 [1,0,1,0,0,0|2,0,0]=4 46 B8R1.11 CC1=C(C=O)OC=C1 CS-0516508 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.11 CC1=C(C=O)OC=N1 CS-0309332 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.11 CC1=C(CO)C=CO1 CS-0260838 [2,0,0,0,0,0|0,0,2]=4 49 B10R1.27 O=C(CCl)NC1=NOC=C1 CS-0242292 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.54 CC(=O)NC1=NOC(C)=C1 CS-0721009 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.39 CCC1=C(C(=O)O)C=NO1 CS-0120444 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.39 CCC1=C(C(=O)O)N=CO1 CS-0070474 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.39 CCN1N=CC=C1C(C)=O CS-0240565 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.39 CSC1=C(C(=O)O)C=CS1 CS-0196032 [0,1,0,0,1,0|1,1,0]=4 55 B10R1.59 CC(=O)C1=C(C)N=C(C)O1 CS-0212469 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 CS-0063357 [0,1,0,0,1,0|0,0,0]=2 57 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 CS-0307911 [0,1,0,0,1,0|1,1,0]=4 58 B10R1.59 CC1=C(C(=O)O)C=C(Br)O1 CS-0237352 [0,1,0,0,1,0|1,0,0]=3 59 B10R1.59 CC1=C(C(=O)O)N=C(Br)O1 CS-0541527 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.59 CC1=CC(C(C)N)=C(C)O1 CS-0216744 [0,1,0,0,1,0|1,0,1]=4 61 B10R1.192 CC(=O)C1=C(Br)C=NN1C CS-0206664 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.192 CC(=O)C1=C(C)NN=C1C CS-0313087 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.192 CC(=O)C1=C(N)SN=C1C CS-0234950 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.192 CC1=COC(C)=C1C(=O)O CS-0074507 [0,1,0,0,1,0|1,0,0]=3 65 B10R1.192 CC1=NOC(C)=C1C(N)=O CS-0326481 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.75 COC1=C(O[14C](C)=O)C=CC=C1 CS-0181576 [0,1,0,0,0,1|1,1,0]=4 67 B12R1.75 COC1=CC=CC=C1NC(C)=O CS-0313101 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 CS-0281034 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.224 CC(=O)NC1=CC=CC(Cl)=C1C CS-0007911 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.224 CC(=O)NC1=CC=CC(F)=C1C CS-0333029 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.224 CC(=O)NC1=CC=CC(N)=C1C CS-0117582 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C CS-0037986 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.233 CC(=O)NC1=CC=C(N)N=C1C CS-0698661 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.371 CC1=CC=CC=C1CC(=O)CCl CS-0125006 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.371 COC(=O)CC1=C(C)C=CC=N1 CS-0153469 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.1009 CC(=O)NC1=C(C)C=CN=C1Cl CS-0455564 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.19 CC(=O)NC1=CC=C(Br)C(C)=C1 CS-0204465 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.19 CC(=O)NC1=CC=C(F)C(C)=C1 CS-0308874 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.19 CC(=O)NC1=CC=C(O)C(C)=C1 CS-0153111 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.19 CC(=O)NC1=NC(C)=C(Br)C=C1 CS-0092050 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.19 CC(=O)NC1=NC(C)=C(Cl)C=C1 CS-0084780 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.50 CC1=CC(CC(=O)CCl)=CC=C1 CS-0124998 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.50 CC1=CC(NC(=O)CO)=CC=C1 CS-0253583 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.50 CC1=CC=CC(NC(=O)CCl)=N1 CS-0294484 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.50 COC(=O)CC1=CC=CC(C)=N1 CS-0061376 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.50 COC(=O)NC1=CC=CC(C)=C1 CS-0225404 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.438 CC(=O)NC1=CC=CC(CN)=C1 CS-0153967 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.438 CSC1=CC=CC(NC(C)=O)=C1 CS-0206794 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.854 CC(=O)OC1=C(C)OC(C)C1=O CS-W017701 [0,2,0,0,0,0|0,1,1]=4 90 B10R2.2 CC1=CC2=C(C=CS2)S1 CS-0507446 [1,0,0,1,0,0|1,1,0]=4 91 B10R2.2 CC1=NC2=C(C=CS2)S1 CS-0555911 [1,0,0,1,0,0|1,1,0]=4 92 B12R2.24 O=C1CCC2=CN=CC=C2N1 CS-0052760 [0,0,0,1,0,1|2,0,0]=4 93 B12R2.606 CC1=CC2=C(C=C1)N=C(C)S2 CS-0210300 [0,0,0,1,0,1|2,0,0]=4 94 B12R2.606 O=C1CC2=CC=C(Br)C=C2S1 CS-0772429 [0,0,0,1,0,1|2,0,0]=4 95 B8R1.7 CC(N)C1=COC=C1 CS-0308225 [1,0,0,0,1,0|1,0,1]=4 96 B8R1.7 N=C(N)C1=COC=C1 CS-0432995 [1,0,0,0,1,0|2,0,0]=4 97 B8R1.7 NC(=O)C1=CSC=C1 CS-W011147 [1,0,0,0,1,0|1,1,0]=4 98 B12R1.125 CC(=O)SCC1=CC=CC=C1C CS-0779465 [0,0,0,0,0,2|1,0,0]=3 99 B12R1.125 CC(=O)SCC1=CC=CC=C1F CS-0456611 [0,0,0,0,0,2|2,0,0]=4 100 B12R1.125 CC1=CC=CC=C1SCC(=O)O CS-0307676 [0,0,0,0,0,2|2,0,0]=4 101 B12R1.226 CC(=O)SCC1=CC(F)=CC=C1 CS-0456432 [0,0,0,0,0,2|2,0,0]=4 102 B12R1.226 CC1=CC(SCC(=O)O)=CC=C1 CS-0309281 [0,0,0,0,0,2|2,0,0]=4