0 B9R1.35 CC(=O)C1=CC(Br)=CN1 CS-0611923 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CC=C(N)S1 CS-0541697 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CN=C(Cl)S1 CS-0060854 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=COC(C)=N1 CS-0610300 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.35 CC(=O)C1=CSC(Br)=N1 CS-0498700 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC(=O)C1=NC(C)=CN1 CS-0214967 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(=O)C1=NN(C)C=C1 CS-0043578 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(O)C1=CSC(Br)=C1 CS-0530572 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 CC1=CC(C(=O)O)=CO1 CS-0372581 [0,0,0,0,0,0|0,1,0]=1 9 B9R1.35 CC1=CC(C(N)=O)=NO1 CS-W006577 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.35 CC1=NC(C(N)=S)=CO1 CS-0461779 [0,0,0,0,0,0|2,2,0]=4 11 B9R1.35 CC1=NSC(C(N)=O)=N1 CS-0626390 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 C[C@@H](N)C1=CSC(Br)=C1 CS-0380788 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 NC1=CN=C(C(=O)O)S1 CS-0054696 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 O=C(O)C1=CC(O)=CS1 CS-0217303 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 O=C(O)C1=COC(Br)=C1 CS-W023154 [0,0,0,0,0,0|1,1,0]=2 16 B9R1.35 O=C1C=C(C(=O)O)CC1 CS-0188012 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.35 O=C1NC(C(=O)O)=CS1 CS-0530108 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.1 CC1=CC(CO)=NO1 CS-W013653 [1,0,0,0,0,0|1,1,1]=4 19 B8R1.1 CC1=CN=C(C=O)O1 CS-0312389 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.1 CC1=CNC(C=O)=C1 CS-0152852 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.1 CC1=CNC(C=O)=N1 CS-0342324 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.1 CC1=COC(C=O)=C1 CS-0055543 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.1 CC1=NN=C(C=O)S1 CS-0197746 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 CC1=NNC(C=O)=N1 CS-0374120 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 O=CC1=CN=C(Cl)N1 CS-0626324 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 CC(=O)C1=CN=CO1 CS-0308800 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.14 CC1=CC=C(C(=O)CBr)O1 CS-0735088 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.14 CN1C=C(C(=O)CBr)C=N1 CS-0093913 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.14 COC(=O)C1=CC(Cl)=CS1 CS-0049036 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.14 COC(=O)C1=CN=C(Br)N1 CS-0835380 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.14 COC(=O)C1=CN=C(C)S1 CS-0187478 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.14 COC(=O)C1=CSC(C)=N1 CS-0152802 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.14 COC(=O)C1=CSC(I)=N1 CS-0568444 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.14 COC(=O)C1=NC(C)=NS1 CS-0036182 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.14 COC(=O)C1=NNC(I)=C1 CS-0048975 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.31 C#CC1=CC=C(C(=O)O)O1 CS-0201371 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.31 C#CC1=NC(C(=O)O)=CS1 CS-0612691 [0,1,0,0,0,0|1,0,1]=3 38 B10R1.31 CCN1C=NC(C(=O)O)=C1 CS-0466264 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.31 COC1=CSC(C(=O)O)=C1 CS-0434710 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.31 N#CC1=CC([N+](=O)[O-])=CS1 CS-0078644 [0,1,0,0,0,0|1,0,2]=4 41 B10R1.31 O=CC1=CC(C(=O)O)=CS1 CS-0372656 [0,1,0,0,0,0|0,0,1]=2 42 B10R1.58 CN1N=C(C(=O)O)C=C1Br CS-W007239 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.59 CC(=O)C1=CC(C)=NN1C CS-W019855 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 CS-0082121 [0,1,0,0,0,0|1,1,0]=3 45 B10R1.59 CN1NC(=O)C=C1C(=O)O CS-0101609 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.59 NC(=O)C1=C(Cl)SC(Cl)=N1 CS-0733625 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 CS-0464589 [0,1,0,0,0,0|1,0,0]=2 48 B10R1.194 CC1=C(C)C(C(=O)O)=CN1 CS-0910011 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.194 CN1N=CC(C(=O)O)=C1O CS-0300513 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.194 O=C(O)C1=NNC(Br)=C1Cl CS-0608148 [0,1,0,0,0,0|3,0,0]=4 51 B8R0.28 CN(C)C\C=C/C(=O)O CS-0164231 [0,0,1,0,0,0|2,0,1]=4 52 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 CS-0222820 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.13 NC(=O)C1=CN=C(Cl)N=C1 CS-0045677 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.13 NC(=O)C1=NC=C(Br)N=C1 CS-0149964 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.13 NC1=CN=C(C(=O)O)N=C1 CS-W022293 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 CS-0101938 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS-W005396 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.54 CC1=NC=C(CC(=O)O)S1 CS-B1136 [0,0,0,0,0,1|2,0,0]=3 60 B10R1.54 CC1=NOC(CC(=O)O)=N1 CS-0037991 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.54 O=C(O)CC1=CC(Br)=NO1 CS-0642238 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.54 O=C(O)CC1=CSC(Br)=N1 CS-0186391 [0,0,0,0,0,1|2,0,0]=3 63 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.113 CC(=O)C1=NC=CC(F)=C1 CS-0834797 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 CS-W015579 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 CS-0060693 [0,0,0,0,0,1|3,0,0]=4 67 B7R0.6 O=C(O)\C=C/C(=O)O CS-0015079 [1,0,1,0,0,0|1,1,0]=4 68 B7R0.15 C\C=C(/C#N)C(=O)O CS-0468696 [1,0,1,0,0,0|1,0,1]=4 69 B7R0.15 C\C=C(\CC)C(=O)O CS-0825044 [1,0,1,0,0,0|1,0,1]=4 70 B7R1.1 CCC1=CSC=C1 CS-0152496 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.1 O=CC1=CC=NO1 CS-0342261 [2,0,0,0,0,0|2,0,0]=4 72 B7R1.1 O=CC1=CON=C1 CS-0071462 [2,0,0,0,0,0|1,1,0]=4 73 B7R1.1 O=CC1=NOC=C1 CS-0053739 [2,0,0,0,0,0|1,1,0]=4 74 B7R1.1 OCC1=NSC=C1 CS-0380031 [2,0,0,0,0,0|1,0,1]=4 75 B9R1.7 OCCC1=CSC(Cl)=C1 CS-0434751 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.21 CSC1=NC=C(C=O)S1 CS-0531156 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.21 N#CC1=CSC(CN)=C1 CS-0342917 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.22 CN1C=C(C=O)C(Br)=N1 CS-0438080 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.23 CC1=C(C)OC(C=O)=C1 CS-0312628 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.23 CC1=NC(C=O)=CN1C CS-0374115 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.11 CCC(=O)C1=CSC=C1 CS-0241504 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.11 O=C(CO)C1=CC=CO1 CS-0320794 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.41 CC1=C(C(=O)O)N=CS1 CS-W004929 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.41 CC1=C(C(=O)O)N=NS1 CS-0035819 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.41 CC1=NSN=C1C(=O)O CS-0633875 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.41 NC(=O)C1=C(Br)SC=C1 CS-0590386 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.41 O=C(O)C1=C(I)C=CS1 CS-0095507 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.41 O=C(O)C1=CNN=C1Br CS-0058282 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.41 O=C(O)C1=NNC=C1F CS-0254908 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.41 O=C(O)C1=NNC=C1I CS-0018758 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.41 O=C(O)C1=NOC=C1Br CS-0636520 [1,1,0,0,0,0|1,1,0]=4 92 B9R1.41 O=C(O)C1=NSN=C1Br CS-0634245 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.3 CNC1=CC=C(C(N)=O)C=C1 CS-0927405 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.3 COC1=CC=C(C(N)=O)N=C1 CS-0082328 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.3 CSC1=CC=C(C(C)=O)C=N1 CS-0888259 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.3 O=C(O)C1=CN=C(CCl)C=C1 CS-0447014 [0,1,0,0,0,1|1,0,0]=3 97 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-WAA0210 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-WAA0255 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 CS-0130960 [0,1,0,0,0,1|1,0,0]=3 100 B11R1.21 CC1=C(N)N=CC(C(=O)O)=C1 CS-0029961 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.21 CC1=C(O)C=C(C(N)=O)C=C1 CS-0824758 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.21 CC1=CC(C(=O)O)=NC=C1F CS-0534611 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.21 NC1=C(Br)N=C(C(=O)O)C=C1 CS-0225990 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 CS-W012469 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.21 NC1=C(I)C=C(C(=O)O)C=N1 CS-0135759 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 CS-0071735 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.21 O=C(O)C1=CC=C(F)C(=O)N1 CS-0136303 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 CS-0534085 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 CS-0324021 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.22 COC(=O)C1=CN=C(N)C=N1 CS-0049007 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.22 NC1=CC=C(C(=O)NO)C=C1 CS-0459768 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.22 NC1=CC=C(C(=O)O[K])C=C1 CS-0013318 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.166 CC(=O)C1=CC=C(C)C=C1Cl CS-0609091 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.166 CC(=O)C1=CN=C(C)C=C1C CS-0321375 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.166 CC1=CN=C(C(=O)O)C(=O)N1 CS-0373007 [0,1,0,0,0,1|1,0,0]=3 116 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 CS-0051359 [0,1,0,0,0,1|1,0,0]=3 117 B11R1.166 NC1=CC=C(C(=O)O)C(Cl)=N1 CS-0100833 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.166 O=C(O)C1=CN=C(O)C=C1O CS-0060146 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br CS-0041189 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.43 COC1=NC(CC(=O)O)=CS1 CS-0851212 [0,1,0,0,0,1|1,0,0]=3 121 B11R1.645 O=C(O)CC1=C(Cl)SC(Cl)=C1 CS-0693876 [0,1,0,0,0,1|1,0,0]=3 122 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 CS-W007184 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.23 COC(=O)C1=CC(C)=CC=C1 CS-0008741 [0,1,0,0,0,1|1,0,0]=3 124 B11R1.74 CC(=O)C1=CC(C)=NC(C)=C1 CS-0232178 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.74 NC1=CC(Cl)=CC(C(=O)O)=C1 CS-W021836 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.159 CC1=C(F)C(C(N)=O)=CC=C1 CS-0309382 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 CS-0129038 [0,1,0,0,0,1|1,0,0]=3 128 B11R1.159 CN1C=NC=C(C(=O)O)C1=O CS-0533816 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.159 NC1=C(N)C(C(=O)O)=CC=C1 CS-0119510 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.159 O=C(O)C1=C(Cl)C(F)=CC=C1 CS-W017481 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.167 CC1=CC=C(N)C(C(N)=O)=C1 CS-W021569 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.167 CC1=CC=C(O)C(C(N)=O)=C1 CS-0179654 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.167 CC1=NC=C(N)C(C(=O)O)=C1 CS-0053917 [0,1,0,0,0,1|1,0,0]=3 134 B11R1.167 CC1=NC=C(O)C(C(=O)O)=N1 CS-0634590 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.167 CN1C=CC(=O)C=C1C(=O)O CS-0668252 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 CS-W002104 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.167 O=C(O)C1=CC(F)=NC=C1Br CS-0130826 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.266 COC1=CC(C(=O)O)=CN=N1 CS-0050176 [0,1,0,0,0,1|1,0,0]=3 139 B11R1.266 COC1=CN=CC(C(C)=O)=C1 CS-0155105 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.266 COC1=NC=NC(C(=O)O)=C1 CS-W022509 [0,1,0,0,0,1|1,0,0]=3 141 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 CS-0171512 [0,1,0,0,0,1|1,0,1]=4 142 B11R1.44 COC(=O)C1=CC(CO)=CN1 CS-0099238 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.44 COC(=O)C1=CC=C(CN)O1 CS-0118895 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.44 COC(=O)C1=CC=C(CN)S1 CS-0289666 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.44 COC(=O)C1=CC=C(OC)O1 CS-0636250 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.44 COC(=O)C1=CSC(CCl)=N1 CS-W022793 [0,2,0,0,0,0|1,0,0]=3 147 B11R1.225 CC1=CC(C(=O)CCl)=C(C)S1 CS-0233345 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.225 COC(=O)C1=C(C)SC(Br)=N1 CS-0054983 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.865 COC(=O)C1=NOC(C)=C1Br CS-0061153 [0,2,0,0,0,0|1,1,0]=4 150 B11R1.48 CN1C=C(C(=O)O)C=C1C=O CS-0641764 [0,2,0,0,0,0|1,0,1]=4 151 B11R1.50 CN1N=C(CO)C=C1C(=O)O CS-0910007 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.124 COCC1=NC=C(C(=O)O)S1 CS-0239294 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.124 NCCC1=NC(C(=O)O)=CS1 CS-0613842 [0,2,0,0,0,0|1,0,0]=3 154 B11R1.175 CC(=O)C1=CSC(C(=O)O)=C1 CS-0542501 [0,2,0,0,0,0|1,0,1]=4 155 B11R1.175 CC(O)C1=NC(C(=O)O)=CS1 CS-0613835 [0,2,0,0,0,0|1,0,0]=3 156 B11R1.175 O=C(O)C1=CC(C(F)F)=CS1 CS-0640695 [0,2,0,0,0,0|2,0,0]=4 157 B11R1.175 O=C(O)C1=CSC(C(F)F)=N1 CS-0899735 [0,2,0,0,0,0|1,0,0]=3 158 B11R1.673 CN1N=C(N)C(C(=O)O)=C1Br CS-0448578 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.64 COC1=C(C(=O)O)C=NN1C CS-0139461 [0,2,0,0,0,0|2,0,0]=4 160 B9R1.2 O=CC1=CC(=O)NC=C1 CS-0006441 [1,0,0,0,0,1|2,0,0]=4 161 B9R1.2 O=CC1=NC=CC(F)=C1 CS-W006870 [1,0,0,0,0,1|2,0,0]=4 162 B9R1.13 O=C(O)CC1=CNN=C1 CS-0029585 [1,0,0,0,0,1|2,0,0]=4 163 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 CS-0063380 [0,0,0,0,0,2|2,0,0]=4 164 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 CS-0643411 [0,0,0,0,0,2|2,0,0]=4 165 B11R1.75 CC1=CC=C(C#CC(=O)O)S1 CS-0343878 [0,0,0,0,0,2|2,0,0]=4 166 B11R1.75 CC1=CC=C(CCC(=O)O)O1 CS-0218022 [0,0,0,0,0,2|2,0,0]=4 167 B11R1.75 CC1=CC=C(CCC(=O)O)S1 CS-0035984 [0,0,0,0,0,2|2,0,0]=4 168 B11R1.75 CC1=NC(\C=C\C(=O)O)=CS1 CS-0282247 [0,0,0,0,0,2|1,0,0]=3 169 B11R1.75 CN1C=CC(\C=C\C(=O)O)=C1 CS-0345092 [0,0,0,0,0,2|2,0,0]=4 170 B11R1.75 O=C(O)\C=C\C1=CSC(Br)=C1 CS-0867532 [0,0,0,0,0,2|1,0,0]=3 171 B11R1.157 CC(=O)NC1=CC=CC(C)=C1 CS-0204499 [0,0,0,0,0,2|2,0,0]=4 172 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 CS-0173242 [0,0,0,0,0,2|2,0,0]=4