0 B13R1.42 CCOC(=O)C#CC1=NC=CC=C1 AC6567 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.42 CCOC(=O)CCC1=NC=CC=N1 F14067 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.42 C\C=C/C(=O)OCC1=CC=CC=C1 W13679 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.42 C\C=C\C(=O)OCC1=CC=CC=C1 W15659 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.42 C\C=C\C(=O)OCC1=CC=CC=C1 W18720 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.42 O=C(CCF)OCC1=CC=CC=C1 31544 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.27 COC(=O)C#CC1=CC=NC=C1 AC6823 [1,0,0,0,0,0|1,0,2]=4 7 B12R1.27 NC(\C=C\C1=CC=CC=C1)=N/O W15444 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 N12672 [0,1,0,0,0,0|0,0,2]=3 9 B14R1.29 CCOC(=O)C[C@H](N)C1=NC=CC=C1 F30871 [0,1,0,0,0,0|1,0,2]=4 10 B14R1.29 CCOC(=O)N[C@@H](C)C1=CC=CC=C1 AC7549 [0,1,0,0,0,0|1,0,1]=3 11 B14R1.32 CC1=CC=CC(\C=C\C(=O)N=[N+]=[N-])=C1 N16862 [0,1,0,0,0,0|3,0,0]=4 12 B14R1.32 CCOC(=O)CCC1=CC(N)=CC=C1 AC2664 [0,1,0,0,0,0|0,0,2]=3 13 B14R1.32 CCOC(=O)CNC1=CC=CC(Cl)=C1 N11777 [0,1,0,0,0,0|1,0,1]=3 14 B14R1.32 CCOC(=O)\C=C\C1=NC=CC(F)=C1 S10034 [0,1,0,0,0,0|1,0,0]=2 15 B14R1.60 CCOC(=O)C(=O)NC1=NC=CC=C1 43912 [0,1,0,0,0,0|2,0,0]=3 16 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 N14357 [0,1,0,0,0,0|0,0,2]=3 17 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=NC=C1 67499 [0,1,0,0,0,0|1,0,2]=4 18 B14R1.60 CCOC(=O)[C@@H](N)CC1=CN=CC=C1 67498 [0,1,0,0,0,0|1,0,2]=4 19 B14R1.60 CCOC(=O)[C@H](C)OC1=CC=CC=C1 98061 [0,1,0,0,0,0|1,0,1]=3 20 B14R1.156 O=C(\C=C\C1=CC=CC=C1)NCCO C13775 [0,1,0,0,0,0|1,0,0]=2 21 B14R1.502 CCOC(=O)C#CC1=CC=C(C)C=C1 44454 [0,1,0,0,0,0|0,0,2]=3 22 B14R1.502 CCOC(=O)CCC1=CN=C(Br)C=C1 F30861 [0,1,0,0,0,0|1,0,2]=4 23 B14R1.502 CCOC(=O)CCC1=CN=C(N)C=C1 F30860 [0,1,0,0,0,0|1,0,2]=4 24 B14R1.502 CCOC(=O)COC1=NC=C(Br)C=C1 96551 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=N1 F30872 [0,1,0,0,0,0|1,0,2]=4 26 B14R1.598 CCOC(=O)CCC1=CC=CN=C1F D74999 [0,1,0,0,0,0|1,0,2]=4 27 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 W16433 [0,1,0,0,0,0|0,0,0]=1 28 B14R1.598 CCOC(=O)\C=C\C1=C(N)C=CN=C1 AC8869 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.21 O=C1C=C(C2=CC=CC=C2)C=NN1 C91861 [0,0,0,1,0,0|2,0,1]=4 30 B14R2.21 O=C1C=C(C2=CC=CC=C2)CCC1 54499 [0,0,0,1,0,0|1,0,0]=2 31 B14R2.21 O=C1CCCN(C2=CC=CC=C2)C1 29248 [0,0,0,1,0,0|2,0,1]=4 32 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)N1 C15767 [0,0,0,1,0,0|2,0,1]=4 33 B14R2.21 O=C1C[C@@H](C2=CC=CC=C2)CCN1 P10604 [0,0,0,1,0,0|1,0,2]=4 34 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 C15255 [0,0,0,1,0,0|3,0,0]=4 35 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 C78028 [0,0,0,1,0,0|3,0,0]=4 36 B14R2.203 CC1=C(CBr)C2=CC=CC=C2C=C1 F21155 [0,0,0,1,0,0|3,0,0]=4 37 B12R1.32 CCOC(=O)CC1=CC=NC=C1 31557 [0,0,0,0,1,0|1,0,1]=3 38 B12R1.32 CCOC(=O)CC1=CN=CN=C1 F53477 [0,0,0,0,1,0|2,0,1]=4 39 B12R1.32 CCOC(=O)NC1=CN=CC=C1 F14111 [0,0,0,0,1,0|2,0,0]=3 40 B12R1.32 CCOC(=O)OC1=NC=CC=C1 F18008 [0,0,0,0,1,0|2,0,0]=3 41 B12R1.32 NCCC(=O)NC1=CC=CC=C1 F21144 [0,0,0,0,1,0|3,0,0]=4 42 B12R1.51 CCOC(=O)CCC1=CC=CN1 D87708 [0,0,0,0,1,0|1,0,2]=4 43 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 71162 [0,0,0,0,0,1|0,0,1]=2 44 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 71468 [0,0,0,0,0,1|0,0,0]=1 45 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [2,0,0,0,0,0|1,0,1]=4 46 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 W19089 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 28085 [1,1,0,0,0,0|0,0,2]=4 48 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 75007 [1,1,0,0,0,0|0,0,2]=4 49 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 N12271 [1,1,0,0,0,0|0,0,2]=4 50 B13R1.14 COC(=O)C#CC1=CC=C(Br)C=C1 AT20430 [1,1,0,0,0,0|0,0,2]=4 51 B13R1.14 COC(=O)C#CC1=CC=C(Cl)C=C1 T72904 [1,1,0,0,0,0|0,0,2]=4 52 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C77100 [1,1,0,0,0,0|0,0,2]=4 53 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 Y11148 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.15 COC(=O)C#CC1=CC=CC(Br)=C1 AT20431 [1,1,0,0,0,0|0,0,2]=4 55 B13R1.15 COC(=O)\C=C\C1=NC(N)=CC=C1 D87540 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.135 COC(=O)C(=O)NC1=CC=NC=C1 A51225 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12610 [1,1,0,0,0,0|0,0,2]=4 58 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 D86017 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 W18708 [1,1,0,0,0,0|0,0,0]=2 60 B13R1.19 CCCC(=O)CC1=CC=C(Br)C=C1 N14161 [0,1,0,0,1,0|1,0,1]=4 61 B13R1.19 CCCC(=O)CC1=CC=C(C)C=C1 N14169 [0,1,0,0,1,0|1,0,1]=4 62 B13R1.19 CCCC(=O)CC1=CC=C(Cl)C=C1 N14153 [0,1,0,0,1,0|1,0,1]=4 63 B13R1.19 CCCC(=O)CC1=CC=C(F)C=C1 N14143 [0,1,0,0,1,0|1,0,1]=4 64 B13R1.19 CCOC(=O)C[N+]1=CC=C(N)C=C1 D85768 [0,1,0,0,1,0|1,0,1]=4 65 B13R1.20 CCCC(=O)CC1=CC(C)=CC=C1 N14167 [0,1,0,0,1,0|1,0,1]=4 66 B13R1.20 CCCC(=O)CC1=CC=CC(Br)=C1 N14159 [0,1,0,0,1,0|1,0,1]=4 67 B13R1.20 CCCC(=O)CC1=CC=CC(Cl)=C1 N14151 [0,1,0,0,1,0|1,0,1]=4 68 B13R1.20 CCCC(=O)CC1=CC=CC(F)=C1 N14138 [0,1,0,0,1,0|1,0,1]=4 69 B13R1.20 CCOC(=O)CC1=CC(Br)=NC=C1 C14462 [0,1,0,0,1,0|1,0,1]=4 70 B13R1.47 CCOC(=O)N(C)C1=CC=CC=C1 C13886 [0,1,0,0,1,0|1,0,0]=3 71 B13R1.47 CCOC(=O)[C@H](O)C1=CN=CC=C1 W16894 [0,1,0,0,1,0|1,0,1]=4 72 B13R1.470 CCCC(=O)CC1=C(Br)C=CC=C1 N14157 [0,1,0,0,1,0|1,0,1]=4 73 B13R1.470 CCCC(=O)CC1=C(C)C=CC=C1 N14164 [0,1,0,0,1,0|1,0,1]=4 74 B13R1.470 CCCC(=O)CC1=C(Cl)C=CC=C1 N14148 [0,1,0,0,1,0|1,0,1]=4 75 B13R1.470 CCCC(=O)CC1=C(F)C=CC=C1 N14135 [0,1,0,0,1,0|1,0,1]=4 76 B13R1.470 CCOC(=O)CC1=C(Cl)C=NC=C1 AT23302 [0,1,0,0,1,0|1,0,1]=4 77 B13R1.470 CCOC(=O)CC1=NC=CC=C1O P12794 [0,1,0,0,1,0|1,0,1]=4 78 B13R1.444 CCOC(=O)\C=C\C1=CC=NN1C F14412 [0,1,0,0,1,0|2,0,0]=4 79 B15R1.11 CCOC(=O)CNCC1=CC=C(Cl)C=C1 F14244 [0,1,0,0,0,1|0,0,2]=4 80 B15R1.11 CCOC(=O)C\C=C/C1=CC=C(C)C=C1 44455 [0,1,0,0,0,1|0,0,0]=2 81 B15R1.826 CCOC(=O)[C@@H](O)CCC1=CC=CC=C1 C14466 [0,1,0,0,0,1|0,0,2]=4 82 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(N)C=C1 N13347 [0,2,0,0,0,0|0,0,1]=3 83 B15R1.23 CCOC(=O)CC(=O)C1=CN=C(Br)C=C1 AC7606 [0,2,0,0,0,0|1,0,1]=4 84 B15R1.23 CCOC(=O)C[C@H](O)C1=CC=C(Br)C=C1 AT23922 [0,2,0,0,0,0|0,0,2]=4 85 B15R1.24 CCOC(=O)C[C@H](N)C1=CC=CC(Cl)=C1 N12879 [0,2,0,0,0,0|0,0,2]=4 86 B15R1.24 CCOC(=O)C[C@H](O)C1=CC=CC(Br)=C1 AT23928 [0,2,0,0,0,0|0,0,2]=4 87 B15R1.578 CCOC(=O)C(N)C(O)C1=CC=CC=C1 FD13131 [0,2,0,0,0,0|0,0,2]=4 88 B15R1.578 CCOC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 F12983 [0,2,0,0,0,0|0,0,2]=4 89 B15R1.3722 CCOC(=O)C[C@H](C)C1=C(Cl)C=CC=C1 F30269 [0,2,0,0,0,0|0,0,2]=4 90 B15R1.49 CCOC(=O)C(=O)CC1=CC(C)=CC=C1 C92165 [0,2,0,0,0,0|0,0,1]=3 91 B15R1.49 CCOC(=O)C(=O)CC1=CC=CC(Br)=C1 C92176 [0,2,0,0,0,0|0,0,1]=3 92 B15R1.49 CCOC(=O)C(=O)CC1=CC=CC(Cl)=C1 C92169 [0,2,0,0,0,0|0,0,1]=3 93 B15R1.49 CCOC(=O)C(=O)CC1=CC=CC(F)=C1 C91151 [0,2,0,0,0,0|0,0,1]=3 94 B15R1.3858 CCOC(=O)CCC1=C(Br)C=CC(F)=C1 73582 [0,2,0,0,0,0|0,0,2]=4 95 B15R1.3858 CCOC(=O)\C=C\C1=C(O)C=CC(F)=C1 I11602 [0,2,0,0,0,0|0,0,0]=2 96 B15R1.10389 CCOC(=O)COC1=CC(C#N)=CC=C1 AC6344 [0,2,0,0,0,0|1,0,1]=4 97 B15R1.48 CCOC(=O)C(=O)CC1=CC=C(Br)C=C1 C92257 [0,2,0,0,0,0|0,0,1]=3 98 B15R1.48 CCOC(=O)C(=O)CC1=CC=C(C)C=C1 C92157 [0,2,0,0,0,0|0,0,1]=3 99 B15R1.48 CCOC(=O)C(=O)CC1=CC=C(Cl)C=C1 C91149 [0,2,0,0,0,0|0,0,1]=3 100 B15R1.48 CCOC(=O)C(=O)CC1=CC=C(F)C=C1 C91148 [0,2,0,0,0,0|0,0,1]=3 101 B15R1.640 CCOC(=O)[C@H](CO)CC1=CC=CC=C1 F30507 [0,2,0,0,0,0|0,0,2]=4 102 B15R1.640 CCOC(=O)\C(C#N)=C\C1=CN=CC=C1 31968 [0,2,0,0,0,0|1,0,0]=3 103 B15R1.640 CCOC(=O)\C(C#N)=C\C1=NC=CC=C1 71146 [0,2,0,0,0,0|1,0,0]=3 104 B15R1.640 CCOC(=O)\C(C#N)=C\C1=NC=CC=C1 W18752 [0,2,0,0,0,0|1,0,0]=3 105 B15R1.3960 CCOC(=O)C(=O)CC1=C(Br)C=CC=C1 C92184 [0,2,0,0,0,0|0,0,1]=3 106 B15R1.3960 CCOC(=O)C(=O)CC1=C(C)C=CC=C1 C92178 [0,2,0,0,0,0|0,0,1]=3 107 B15R1.3960 CCOC(=O)C(=O)CC1=C(Cl)C=CC=C1 C92182 [0,2,0,0,0,0|0,0,1]=3 108 B15R1.3960 CCOC(=O)C(=O)CC1=C(F)C=CC=C1 C91156 [0,2,0,0,0,0|0,0,1]=3 109 B15R1.791 CCOC(=O)CCC1=C(F)C=C(O)C=C1 31835 [0,2,0,0,0,0|0,0,2]=4 110 B15R1.791 CCOC(=O)\C=C\C1=C(F)C=C(F)C=C1 D80058 [0,2,0,0,0,0|0,0,0]=2 111 B15R1.793 CCOC(=O)C#CC1=CC=C(CCl)C=C1 44456 [0,2,0,0,0,0|0,0,2]=4 112 B15R1.793 CCOC(=O)CCC1=CC=C(C=O)C=C1 58507 [0,2,0,0,0,0|0,0,2]=4 113 B15R1.793 CCOC(=O)\C=C\C1=CC=C(C#N)C=C1 D73192 [0,2,0,0,0,0|0,0,0]=2 114 B15R1.793 CCOC(=O)\C=C\C1=CC=C(C=O)C=C1 44457 [0,2,0,0,0,0|0,0,0]=2 115 B15R1.768 CCOC(=O)COC1=C(SC)C=CC=C1 AC5940 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=C1 C74750 [0,0,1,1,0,0|1,0,0]=3 117 B13R1.460 CCOC(=O)C1=CC(CN)=CC=C1 S11364 [0,0,1,1,0,0|1,0,1]=4 118 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 C15346 [1,0,0,1,0,0|1,0,1]=4 119 B13R2.10 OC1=CC(C2=CC=CC=C2)=NO1 AC5685 [1,0,0,1,0,0|1,0,1]=4 120 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 C11064 [1,0,0,1,0,0|2,0,0]=4 121 B13R2.57 CSC1=NC2=CC=CC=C2C=C1 H11532 [1,0,0,1,0,0|1,1,0]=4 122 B13R2.135 CC[C@@H]1C(=O)NC2=C1C=CC=C2 61576 [0,0,0,1,1,0|2,0,0]=4 123 B13R2.328 C[C@H]1CC(=O)NC2=C1C=CC=C2 F18223 [0,0,0,1,1,0|2,0,0]=4 124 B13R2.449 CCOC1=CC2=C(C=C1)NC=C2 24610 [0,0,0,1,1,0|2,0,0]=4 125 B13R2.449 CCOC1=NC2=C(C=C1)NC=C2 F11174 [0,0,0,1,1,0|2,0,0]=4 126 B15R2.66 CCCC1=NN(C2=CC=CC=C2)C=C1 A11593 [0,0,0,1,0,1|2,0,0]=4 127 B15R2.73 CCOC(=O)C1=C2C=CC=CC2=CN1 F31219 [0,0,0,1,0,1|0,0,0]=2 128 B15R2.73 CCOC(=O)C1=CNC2=CN=CN=C21 P12049 [0,0,0,1,0,1|2,0,0]=4 129 B15R2.73 CCOC(=O)C1=COC2=C1C=CC=C2 AC5125 [0,0,0,1,0,1|0,0,0]=2 130 B15R2.73 CCOC(=O)C1=NNC2=C1C=CC=N2 F11920 [0,0,0,1,0,1|2,0,0]=4 131 B15R2.73 CCOC(=O)C1=NOC2=C1C=CC=N2 F14110 [0,0,0,1,0,1|2,0,0]=4 132 B15R2.73 CCOC(=O)[C@@H]1COC2=C1C=CC=C2 AT21245 [0,0,0,1,0,1|0,0,2]=4 133 B15R2.1342 CCOC(=O)C1CC1C2=CC=CC=C2 H11098 [0,0,0,1,0,1|0,0,2]=4 134 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 AT11583 [0,0,0,1,0,1|0,0,2]=4 135 B15R2.886 CCOC1=NC2=C(C=CC=C2)C(=O)O1 D72798 [0,1,0,1,0,0|2,0,0]=4 136 B15R2.323 CC1=C(C2=CC=CC=C2)C(=O)OC1=O 71947 [0,1,0,1,0,0|1,0,1]=4 137 B15R2.1356 CCOC(=O)C1=CC2=C(C=NC=C2)O1 87396 [0,1,0,1,0,0|1,0,0]=3 138 B15R2.1356 CCOC(=O)C1=CC2=C(C=NC=C2)S1 57187 [0,1,0,1,0,0|1,0,0]=3 139 B15R2.1356 CCOC(=O)C1=NN2N=CC=CC2=C1 P13599 [0,1,0,1,0,0|2,0,0]=4 140 B15R2.352 C#CCOC1=CC2=CC=CC=C2C=C1 C15245 [0,1,0,1,0,0|1,0,1]=4 141 B15R2.352 NCCCC1=CC2=CC=CC=C2C=C1 C77852 [0,1,0,1,0,0|2,0,0]=4 142 B15R3.31603 C1=CC=C2C=C(C3CC3)C=CC2=C1 AC9616 [0,0,0,2,0,0|2,0,0]=4 143 B15R3.31603 C1=CC=C2N=C(C3CC3)C=CC2=C1 AC8325 [0,0,0,2,0,0|2,0,0]=4 144 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [0,0,0,0,2,0|2,0,0]=4 145 B11R1.30 CCOC(=O)CC1=CC=CN1 P11574 [0,0,0,0,2,0|1,0,1]=4 146 B11R1.30 CCOC(=O)NC1=CC=CS1 AC2824 [0,0,0,0,2,0|2,0,0]=4