0 B8R1.7 CC(=O)C1=CN=CO1 CS-0308800 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 CC(=O)C1CC=CC1 CS-0640323 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.7 CC(C)C1=NC=NN1 CS-0649572 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 C[C@H](N)C1=NC=CN1 CS-0608600 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 C[C@H](N)C1=NNC=C1 CS-0608599 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.1 C#CC1=CN=CN1 CS-0197563 [1,0,0,0,0,0|1,0,2]=4 6 B7R1.1 CCC1=CSC=C1 CS-0152496 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.1 O=CC1=CC=NO1 CS-0342261 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.1 O=CC1=CON=C1 CS-0071462 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.1 O=CC1=NOC=C1 CS-0053739 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.11 CCC(=O)C1=CSC=C1 CS-0241504 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.11 O=C(CO)C1=CC=CO1 CS-0320794 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.35 CC(=O)C1=CC(Br)=CN1 CS-0611923 [0,1,0,0,0,0|0,0,0]=1 13 B9R1.35 CC(=O)C1=CC=C(N)S1 CS-0541697 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.35 CC(=O)C1=CN=C(Cl)S1 CS-0060854 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.35 CC(=O)C1=COC(C)=N1 CS-0610300 [0,1,0,0,0,0|1,0,1]=3 16 B9R1.35 CC(=O)C1=CSC(Br)=N1 CS-0498700 [0,1,0,0,0,0|1,0,1]=3 17 B9R1.35 CC(=O)C1=NC(C)=CN1 CS-0214967 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.35 CC(=O)C1=NN(C)C=C1 CS-0043578 [0,1,0,0,0,0|1,0,1]=3 19 B9R1.35 CC1=CC(C(=O)O)=CO1 CS-0372581 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.35 CC1=CC(C(N)=O)=NO1 CS-W006577 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.35 CC1=CC=C([C@H](C)N)S1 CS-0627915 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.35 C[C@@H](O)C1=CC(Br)=CS1 CS-0309241 [0,1,0,0,0,0|1,0,2]=4 23 B9R1.35 C[C@@H](O)C1=CC=C(Br)S1 CS-0263721 [0,1,0,0,0,0|1,0,2]=4 24 B9R1.35 C[C@H](N)C1=CC(Br)=CS1 CS-0305926 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.35 NC1=CN=C(C(=O)O)S1 CS-0054696 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.35 O=C(O)C1=CC(O)=CS1 CS-0217303 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.35 O=C(O)C1=COC(Br)=C1 CS-W023154 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.35 O=C1C=C(C(=O)O)CC1 CS-0188012 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.35 O=C1NC(C(=O)O)=CS1 CS-0530108 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.41 CC(=O)C1=C(Cl)C=CS1 CS-0132454 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.41 CC1=C(C(=O)O)N=CS1 CS-W004929 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.41 CN1C=CN=C1C(N)=S CS-0460508 [0,1,0,0,0,0|2,1,0]=4 33 B9R1.41 NC(=O)C1=C(Br)SC=C1 CS-0590386 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.41 NC(=O)C1=NNC=C1Br CS-0619824 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.41 NC(=O)C1=NNC=C1Cl CS-0623096 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.41 O=C(O)C1=C(I)C=CS1 CS-0095507 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.41 O=C(O)C1=NNC=C1F CS-0254908 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.41 O=C(O)C1=NNC=C1I CS-0018758 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.41 O=C(O)C1=NOC=C1Br CS-0636520 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.6 CC(=O)C1=CN=CN=C1 CS-D0295 [0,0,0,0,0,1|1,0,1]=3 41 B9R1.6 CC(C)C1=NC=CC=N1 CS-0887722 [0,0,0,0,0,1|1,0,2]=4 42 B9R1.6 C[C@@H](Cl)C1=CC=CC=C1 CS-0851644 [0,0,0,0,0,1|2,0,1]=4 43 B9R1.6 C[C@@H](O)C1=CC=CN=C1 CS-0093784 [0,0,0,0,0,1|0,0,3]=4 44 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 CS-0852321 [0,0,0,0,0,1|2,0,1]=4 45 B9R1.6 N=C(N)C1=NC=CC=N1 CS-0155597 [0,0,0,0,0,1|2,0,1]=4 46 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0870997 [0,0,0,0,0,1|2,0,0]=3 47 B9R1.13 CC(=O)NC1=NNC=C1 CS-0206105 [0,0,0,0,0,1|1,0,1]=3 48 B9R1.13 C[C@@H](N)CC1=CN=CN1 CS-W015657 [0,0,0,0,0,1|2,0,1]=4 49 B9R1.13 O=C(O)CC1=CN=NN1 CS-0462526 [0,0,0,0,0,1|3,0,0]=4 50 B6R1.2 CC1=CN=CO1 CS-0139221 [2,0,0,0,0,0|2,0,0]=4 51 B6R1.2 CC1=CNC=C1 CS-W016682 [2,0,0,0,0,0|2,0,0]=4 52 B6R1.2 CC1=NSC=C1 CS-0340795 [2,0,0,0,0,0|1,0,1]=4 53 B6R1.2 NC1=NC=CN1 CS-0511688 [2,0,0,0,0,0|2,0,0]=4 54 B6R1.2 NC1=NC=CN1 CS-W018619 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.3 C=CCC(N)C(=O)OC CS-0158009 [0,1,1,0,0,0|0,0,2]=4 56 B8R1.1 CC1=CN=C(C=O)O1 CS-0312389 [1,1,0,0,0,0|1,0,1]=4 57 B8R1.1 CC1=CNC(C=O)=C1 CS-0152852 [1,1,0,0,0,0|0,0,0]=2 58 B8R1.1 CC1=CNC(C=O)=N1 CS-0342324 [1,1,0,0,0,0|1,0,0]=3 59 B8R1.1 CC1=COC(C=O)=C1 CS-0055543 [1,1,0,0,0,0|1,0,0]=3 60 B8R1.1 CC1=NNC(C=O)=N1 CS-0374120 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.1 CSC1=CC(N)=NN1 CS-0113136 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.1 O=CC1=CN=C(Cl)N1 CS-0626324 [1,1,0,0,0,0|1,0,0]=3 63 B8R1.11 N#CC1=CC=CN1N CS-0052647 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 CS-0052859 [0,1,0,0,0,1|0,0,1]=3 65 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS-0042572 [0,1,0,0,0,1|0,0,1]=3 66 B10R1.13 CC(C)C1=CNC(=O)C=C1 CS-0564347 [0,1,0,0,0,1|1,0,1]=4 67 B10R1.13 NC(=O)C1=NC=C(Br)N=C1 CS-0149964 [0,1,0,0,0,1|1,0,1]=4 68 B10R1.13 NC1=CN=C(C(=O)O)N=C1 CS-W022293 [0,1,0,0,0,1|1,0,1]=4 69 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS-W005396 [0,1,0,0,0,1|1,0,1]=4 71 B10R1.15 C#CC(=O)C1=CC=CC=C1 CS-0072550 [0,1,0,0,0,1|1,0,1]=4 72 B10R1.15 CCC(=O)C1=CN=CC=C1 CS-W013351 [0,1,0,0,0,1|0,0,1]=3 73 B10R1.15 C\C(=N/O)C1=CC=CC=C1 CS-0160349 [0,1,0,0,0,1|1,0,1]=4 74 B10R1.15 C\C(=N/O)C1=NC=CN=C1 CS-0337363 [0,1,0,0,0,1|0,0,2]=4 75 B10R1.15 NNC(=O)C1=NC=CC=N1 CS-0070745 [0,1,0,0,0,1|1,0,1]=4 76 B10R1.15 NNC(=O)C1=NC=NC=C1 CS-W022945 [0,1,0,0,0,1|1,0,1]=4 77 B10R1.15 O=C(CBr)C1=NC=NC=C1 CS-W006295 [0,1,0,0,0,1|0,0,1]=3 78 B10R1.28 CS(=N)(=O)C1=CC=CC=C1 CS-0047091 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.28 CS(=N)(=O)C1=CC=NC=C1 CS-0620995 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 CS-0150134 [0,1,0,0,0,1|1,0,1]=4 81 B10R1.61 CC(=O)C1=C(Br)C=CN=C1 CS-0634224 [0,1,0,0,0,1|0,0,1]=3 82 B10R1.61 CC(=O)C1=CC=NC=C1C CS-0238561 [0,1,0,0,0,1|1,0,0]=3 83 B10R1.61 CC(=O)C1=CN=CN=C1N CS-0161922 [0,1,0,0,0,1|1,0,1]=4 84 B10R1.61 CC(C)C1=CC=CNC1=O CS-0534758 [0,1,0,0,0,1|1,0,1]=4 85 B10R1.61 CS(=O)C1=CC=CC=C1O CS-0213158 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 CS-0149984 [0,1,0,0,0,1|1,0,1]=4 87 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS-0188334 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [0,1,0,0,0,1|1,0,0]=3 89 B10R1.113 CC(=O)C1=NC=CC(F)=C1 CS-0834797 [0,1,0,0,0,1|0,0,1]=3 90 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 CS-W015579 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 CS-0060693 [0,1,0,0,0,1|1,0,1]=4 92 B10R1.27 COC(=O)CC1=COC=C1 CS-0526938 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.54 CC(=O)CC1=NC=C(C)O1 CS-0255939 [0,1,0,0,0,1|1,0,1]=4 94 B10R1.11 C=C=CC(=O)C1=CC=CS1 CS-0616899 [0,2,0,0,0,0|1,0,1]=4 95 B10R1.14 CC1=CC=C(C(=O)CBr)O1 CS-0735088 [0,2,0,0,0,0|1,0,0]=3 96 B10R1.14 COC(=O)C1=CC(Cl)=CS1 CS-0049036 [0,2,0,0,0,0|1,0,0]=3 97 B10R1.14 COC(=O)C1=CN=C(Br)N1 CS-0835380 [0,2,0,0,0,0|1,0,0]=3 98 B10R1.14 COC(=O)C1=CN=C(C)S1 CS-0187478 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.14 COC(=O)C1=CSC(C)=N1 CS-0152802 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.14 COC(=O)C1=CSC(I)=N1 CS-0568444 [0,2,0,0,0,0|1,0,1]=4 101 B10R1.14 COC(=O)C1=NNC(I)=C1 CS-0048975 [0,2,0,0,0,0|1,0,1]=4 102 B10R1.149 COC(=O)C1=C(N)SC=N1 CS-0054981 [0,2,0,0,0,0|1,0,1]=4 103 B10R1.149 COC(=O)C1=COC=C1Br CS-0101706 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.149 COC(=O)C1=CSC=C1O CS-0865051 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.31 C#CC1=CC=C(C(=O)O)O1 CS-0201371 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.31 CCN1C=CC(C(C)=O)=N1 CS-0240608 [0,2,0,0,0,0|1,0,1]=4 107 B10R1.31 COC1=CSC(C(=O)O)=C1 CS-0434710 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.58 CC(=O)C1=CC(Cl)=C(Br)S1 CS-0155126 [0,2,0,0,0,0|1,0,0]=3 109 B10R1.59 CC(=O)C1=C(C)NC(=O)S1 CS-0437620 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.59 CC(=O)C1=CC(C)=NN1C CS-W019855 [0,2,0,0,0,0|1,0,0]=3 111 B10R1.59 CC(=O)C1=NN(C)C=C1N CS-0646155 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.59 CN1NC(=O)C=C1C(=O)O CS-0101609 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.39 COC1=C(C(N)=O)SC=C1 CS-0302489 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.192 CN1N=CC(I)=C1C(N)=O CS-0213113 [0,2,0,0,0,0|2,0,0]=4 115 B8R1.4 CC1=CC=CC(=O)N1 CS-W011283 [0,0,1,1,0,0|2,0,0]=4 116 B8R1.4 NC1=CC(F)=CC=C1 CS-0172950 [0,0,1,1,0,0|1,0,1]=4 117 B8R1.5 CC1=NC=NC=C1N CS-D1592 [0,0,1,1,0,0|2,0,0]=4 118 B10R2.32 O=C1NCC2=CNN=C12 CS-0312095 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.2 C=CC1=CC=CC=C1 CS-0199613 [1,0,0,0,0,1|1,0,1]=4 120 B8R1.2 CNC1=CC=CC=C1 CS-0197126 [1,0,0,0,0,1|2,0,0]=4 121 B8R1.2 O=CC1=CC=CC=N1 CS-W007336 [1,0,0,0,0,1|0,0,1]=3 122 B10R1.18 O=C(O)CC1=NC=CC=C1 CS-0096299 [0,0,0,0,0,2|1,0,1]=4 123 B10R1.66 CC(=O)\C=C\C1=CC=CO1 CS-0181800 [0,0,0,0,0,2|1,0,0]=3 124 B10R1.66 O=C(O)C#CC1=CC=CS1 CS-0122133 [0,0,0,0,0,2|2,0,0]=4 125 B10R1.66 O=C(O)\C=C\C1=CN=CN1 CS-0059340 [0,0,0,0,0,2|2,0,0]=4 126 B10R1.66 O=C(O)\C=C\C1=CN=CN1 CS-0138454 [0,0,0,0,0,2|2,0,0]=4