0 B11R1.40 C=CC(=O)NC1=CC=CC=C1 CS-W019368 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 COC(=O)CC1=CC=NC=C1 CS-0015139 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.40 NC(CO)CC1=CC=CC=C1 CS-W019002 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.18 CC(C)NC1=CC=CC=C1 CS-W019925 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.18 N=C(O)NC1=CC=CC=C1 CS-W017760 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS-W018755 [0,1,0,0,0,0|0,0,0]=1 8 B12R1.34 COC(=O)C(N)C1=CC=NC=C1 CS-0111724 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CS-W015540 [0,1,0,0,0,0|0,0,0]=1 10 B12R1.49 CNC(=O)CC1=CC=C(Cl)C=C1 CS-0038025 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 CS-W022850 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 CS-W008065 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 CS-0028736 [0,1,0,0,0,0|0,0,0]=1 14 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 CS-0036244 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 CS-B1335 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 CS-0088534 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.371 COC(=O)CC1=CC=CC=C1Cl CS-0030578 [0,1,0,0,0,0|0,0,0]=1 18 B12R2.18 CN1C(=O)NC2=CC=CC=C21 CS-0035509 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.32 CCC1=NC2=CC=CC=C2N1 CS-0030568 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.32 CSC1=NC2=CC=CC=C2S1 CS-W023165 [0,0,0,1,0,0|1,2,0]=4 21 B10R1.15 C=CS(=O)C1=CC=CC=C1 CS-0081516 [0,0,0,0,1,0|2,0,1]=4 22 B10R1.15 COC(=O)C1=CC=NC=C1 CS-D1405 [0,0,0,0,1,0|1,0,0]=2 23 B10R1.15 COC(=O)C1=NC=CC=N1 CS-M2690 [0,0,0,0,1,0|2,0,0]=3 24 B12R1.27 COC(=O)CCC1=CC=CC=C1 CS-W007828 [0,0,0,0,0,1|0,0,0]=1 25 B9R1.8 BrCCC1=CC=CC=C1 CS-W019955 [2,0,0,0,0,0|1,0,1]=4 26 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.8 C\C=C\C1=CC=CC=C1 CS-0069845 [2,0,0,0,0,0|0,0,1]=3 28 B9R1.8 NOCC1=CC=CC=C1 CS-W008955 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.8 O\N=C\C1=CC=CC=C1 CS-0034180 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.1 COCCC1=CC=C(O)C=C1 CS-M3678 [1,1,0,0,0,0|0,0,1]=3 31 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 CS-0028773 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS-W008979 [1,1,0,0,0,0|0,0,0]=2 33 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 CS-W010778 [1,1,0,0,0,0|0,0,0]=2 34 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CS-W019544 [1,1,0,0,0,0|0,0,1]=3 35 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CS-W019313 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS-W010964 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CS-W018122 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CS-D1423 [1,1,0,0,0,0|0,0,0]=2 39 B11R1.86 CC(=O)CC1=CC=CC=C1Br CS-W007949 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.86 CC(=O)NC1=CC=CC=C1N CS-W008938 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.86 CC1=CC=CC=C1CC(=O)O CS-W018151 [1,1,0,0,0,0|0,0,0]=2 42 B11R1.86 O=C(O)CC1=C(Cl)N=CC=C1 CS-0043768 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.86 O=C(O)CC1=CC=CC=C1F CS-W020118 [1,1,0,0,0,0|0,0,0]=2 44 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 CS-0046111 [1,1,0,0,0,0|0,0,0]=2 45 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS-W004766 [1,1,0,0,0,0|0,0,0]=2 46 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS-0015806 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS-0019417 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.12 COC(CO)C1=CC=CC=C1 CS-0028761 [0,1,0,0,1,0|0,0,2]=4 49 B11R1.12 COC(OC)C1=CC=CC=C1 CS-Z0014 [0,1,0,0,1,0|0,0,2]=4 50 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 CS-W007335 [0,1,0,0,1,0|2,0,0]=4 51 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS-0059258 [0,1,0,0,1,0|1,0,0]=3 52 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 CS-W018773 [0,1,0,0,1,0|1,0,0]=3 53 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-0008417 [0,1,0,0,1,0|0,0,0]=2 54 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-M1189 [0,1,0,0,1,0|0,0,0]=2 55 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS-W008753 [0,1,0,0,1,0|1,0,0]=3 56 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS-D0954 [0,1,0,0,1,0|1,0,0]=3 57 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS-W019731 [0,1,0,0,1,0|2,0,0]=4 58 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS-W005963 [0,1,0,0,1,0|1,0,0]=3 59 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 CS-B1331 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS-W005465 [0,1,0,0,1,0|0,0,0]=2 61 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 CS-W004976 [0,1,0,0,1,0|1,0,0]=3 62 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 CS-W014906 [0,1,0,0,1,0|2,0,0]=4 63 B11R1.222 COC(=O)C1=C(C)N=CC=N1 CS-W023218 [0,1,0,0,1,0|2,0,0]=4 64 B11R1.222 COC(=O)C1=CC=CC=C1N CS-W019645 [0,1,0,0,1,0|0,0,0]=2 65 B11R1.222 COC(=O)C1=NC=CC=C1N CS-W009043 [0,1,0,0,1,0|1,0,0]=3 66 B11R1.222 COC(=O)C1=NC=CN=C1I CS-0041319 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.222 COC(=O)C1=NC=CN=C1N CS-D1517 [0,1,0,0,1,0|2,0,0]=4 68 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS-D0634 [0,1,0,0,0,1|0,0,0]=2 69 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 CS-B1573 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 CS-0066796 [0,1,0,0,0,1|0,0,1]=3 71 B13R1.42 CCOC(=O)COC1=CC=CC=C1 CS-0037469 [0,1,0,0,0,1|0,0,0]=2 72 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 CS-W020629 [0,1,0,0,0,1|0,0,1]=3 73 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 CS-0079911 [0,1,0,0,0,1|1,0,0]=3 74 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS-W018849 [0,1,0,0,0,1|0,0,0]=2 75 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W019793 [0,1,0,0,0,1|0,0,0]=2 76 B13R1.135 [C@H](O)(CC1=CC=CC=C1)C(=O)OC CS-W007891 [0,1,0,0,0,1|0,0,0]=2 77 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 CS-W022587 [0,1,0,0,0,1|1,0,0]=3 78 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CS-W019322 [0,1,0,0,0,1|2,0,0]=4 79 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 CS-W018540 [0,2,0,0,0,0|0,0,0]=2 80 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 CS-W022645 [0,2,0,0,0,0|0,0,0]=2 81 B13R1.19 CCOC(=O)CC1=CC=C(N)C=C1 CS-0043119 [0,2,0,0,0,0|0,0,0]=2 82 B13R1.20 CCOC(=O)CC1=CC=CC(O)=C1 CS-0030409 [0,2,0,0,0,0|0,0,0]=2 83 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 CS-W022210 [0,2,0,0,0,0|1,0,0]=3 84 B13R1.470 CCOC(=O)CC1=C(O)N=CN=C1 CS-W022646 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.470 CCOC(=O)CC1=NC=CC=C1Br CS-0041501 [0,2,0,0,0,0|1,0,0]=3 86 B13R1.21 COC(=O)C(C)C1=CC=C(N)C=C1 CS-0091628 [0,2,0,0,0,0|0,0,0]=2 87 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 CS-W019639 [0,2,0,0,0,0|0,0,0]=2 88 B13R1.2879 COC(=O)CC1=CC=C(O)C(Cl)=C1 CS-0113872 [0,2,0,0,0,0|0,0,0]=2 89 B13R1.81 COC(=O)CC1=CC(OC)=CC=C1 CS-0081810 [0,2,0,0,0,0|0,0,0]=2 90 B11R2.10 CC1=CC2=CC=CC=C2N1 CS-W007556 [1,0,0,1,0,0|1,0,1]=4 91 B11R2.10 CC1=NC2=CC=CC=C2O1 CS-0095153 [1,0,0,1,0,0|1,0,1]=4 92 B11R2.10 CC1=NC2=CC=CC=C2S1 CS-W009170 [1,0,0,1,0,0|1,1,0]=4 93 B11R2.10 ClC1=NC2=CC=CC=C2O1 CS-0030558 [1,0,0,1,0,0|2,0,0]=4 94 B11R2.10 O=C1CC2=C(C=CC=C2)C1 CS-W020518 [1,0,0,1,0,0|0,0,0]=2 95 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 CS-0114110 [0,0,0,1,0,1|1,0,0]=3 96 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS-W018637 [0,0,0,1,0,1|1,0,0]=3 97 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 CS-0097912 [0,0,0,1,0,1|2,0,0]=4 98 B13R2.10 [C@@H]1(C2=CC=CC=C2)COC(O)=N1 CS-W017924 [0,0,0,1,0,1|0,0,1]=3 99 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 CS-W006004 [0,1,0,1,0,0|1,0,1]=4 100 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CS-M0780 [0,1,0,1,0,0|1,0,1]=4 101 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=C2 CS-W009190 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)N1 CS-D1588 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)N1 CS-0105113 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 CS-B0104 [0,1,0,1,0,0|1,0,0]=3 105 B13R2.162 O=C1CCC2=C(C1)C(Br)=CC=C2 CS-B0106 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.6 CC(=O)C1=NC=CC=C1 CS-W008602 [1,0,0,0,1,0|1,0,0]=3 107 B9R1.6 CS(=O)C1=CC=CC=C1 CS-0046805 [1,0,0,0,1,0|1,0,0]=3 108 B9R1.6 C[C@H](N)C1=CC=CC=C1 CS-W019840 [1,0,0,0,1,0|1,0,1]=4 109 B9R1.6 O=C(O)C1=NC=CC=N1 CS-D0763 [1,0,0,0,1,0|2,0,0]=4 110 B9R1.6 O=C(O)C1=NN=CC=C1 CS-W004823 [1,0,0,0,1,0|2,0,0]=4 111 B9R1.6 O=S([O-])C1=CC=CC=C1 CS-W014314 [1,0,0,0,1,0|1,0,1]=4 112 B9R1.13 O=C(O)CC1=NNC=C1 CS-D0036 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.11 COC(=O)C1=CSC=C1 CS-W007570 [0,0,0,0,2,0|1,0,0]=3 114 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CS-D0496 [0,0,0,0,0,2|0,0,0]=2 115 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CS-W022790 [0,0,0,0,0,2|0,0,0]=2