0 B13R1.337 CC(=O)NCCOC1=CC=CN=C1 SBB072312 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 SBB080364 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SBB069090 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 SBB015389 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 SBB111687 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.337 O=C(O)CS\C=C\C1=CC=CC=C1 SBB091776 [0,0,0,0,0,0|3,0,0]=3 6 B14R1.148 CC(=O)NCCOC1=CC(N)=CC=C1 SBB017881 [0,1,0,0,0,0|2,0,1]=4 7 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SBB007811 [0,1,0,0,0,0|2,0,1]=4 8 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 SBB050152 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.423 CC(=O)OCC(=O)NC1=CC=CC=C1 SBB000311 [0,1,0,0,0,0|1,0,0]=2 10 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 SBB006920 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.677 CC(=O)NCCOC1=CC=C(C)C=C1 SBB072487 [0,1,0,0,0,0|2,0,1]=4 12 B14R1.677 CC(=O)NCCOC1=CC=C(Cl)C=C1 SBB072276 [0,1,0,0,0,0|2,0,1]=4 13 B14R1.677 CC(=O)NCCOC1=CC=C(N)C=C1 SBB072945 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.677 CC(=O)NCCOC1=CC=C(O)C=C1 SBB071959 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 SBB037901 [0,1,0,0,0,0|1,0,2]=4 16 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 SBB011286 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.2 CC(=O)NC1=COC2=C1C=CC=C2 SBB015058 [0,0,0,1,0,0|2,0,1]=4 18 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 SBB116887 [0,0,0,1,0,0|1,0,1]=3 19 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 SBB017976 [0,0,0,1,0,0|3,0,0]=4 20 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SBB056163 [0,0,0,1,0,0|2,0,1]=4 21 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SBB055826 [0,0,0,1,0,0|1,0,2]=4 22 B14R2.21 CC1=CC(C2=CC=CC=C2)=CN=N1 SBB088434 [0,0,0,1,0,0|3,0,0]=4 23 B14R2.21 CC1=CC=CC(C2=CC=CC=C2)=C1 SBB055147 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 SBB060390 [0,0,0,1,0,0|1,0,1]=3 25 B14R2.31359 CC(=O)C1=CC=CC2=C1C=CC=C2 SBB040260 [0,0,0,1,0,0|1,0,1]=3 26 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 SBB028366 [0,0,0,1,0,0|2,0,1]=4 27 B14R2.31359 O=C(Cl)C1=C2C=CC=CC2=CC=C1 SBB006741 [0,0,0,1,0,0|2,0,1]=4 28 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=C1 SBB058382 [0,0,0,1,0,0|2,0,1]=4 29 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 SBB028486 [0,0,0,1,0,0|3,0,0]=4 30 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [0,0,0,0,1,0|1,0,2]=4 31 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [0,0,0,0,1,0|1,0,1]=3 32 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [0,0,0,0,1,0|1,0,1]=3 33 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,0,0,0,1,0|0,0,1]=2 34 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 SBB056716 [0,0,0,0,1,0|2,0,1]=4 35 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [0,0,0,0,1,0|1,0,2]=4 36 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 SBB087692 [0,0,0,0,1,0|3,0,0]=4 37 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [0,0,0,0,1,0|1,0,2]=4 38 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [0,0,0,0,1,0|2,0,1]=4 39 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,0,0,0,1,0|1,0,2]=4 40 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [0,0,0,0,1,0|2,0,1]=4 41 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [0,0,0,0,1,0|2,0,1]=4 42 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [0,0,0,0,1,0|2,0,1]=4 43 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [0,0,0,0,1,0|2,0,1]=4 44 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [0,0,0,0,1,0|2,0,1]=4 45 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [0,0,0,0,1,0|2,0,1]=4 46 B14R1.422 NC(=O)N\N=C\C=C\C1=CC=CC=C1 SBB028653 [0,0,0,0,0,1|2,0,1]=4 47 B14R1.422 O=C(O)CCS\C=C\C1=CC=CC=C1 SBB053595 [0,0,0,0,0,1|2,0,0]=3 48 B14R1.422 O=C(O)COCCOC1=CC=CC=C1 SBB056594 [0,0,0,0,0,1|2,0,1]=4 49 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [2,0,0,0,0,0|1,0,1]=4 50 B11R1.28 CCO\C=N\C1=CC=CC=C1 SBB059636 [2,0,0,0,0,0|1,0,1]=4 51 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [2,0,0,0,0,0|1,0,1]=4 52 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [1,1,0,0,0,0|0,0,2]=4 53 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,1,0,0,1,0|0,0,1]=3 54 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 SBB063952 [0,1,0,0,1,0|0,0,0]=2 55 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SBB057733 [0,1,0,0,1,0|1,0,1]=4 56 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 SBB007952 [0,1,0,0,1,0|1,0,1]=4 57 B13R1.45 OC(=O)CNC(=O)C1=CC=CC=C1 SBB003759 [0,1,0,0,1,0|2,0,0]=4 58 B13R1.348 CC(=O)C\C(C)=N/C1=CC=CC=C1 SBB089069 [0,1,0,0,1,0|1,0,0]=3 59 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,1,0,0,1,0|1,0,0]=3 60 B15R1.256 CC(=O)OCC(=O)NC1=CC=CC=C1C SBB000465 [0,2,0,0,0,0|1,0,0]=3 61 B15R1.256 CC(=O)OCC(=O)NC1=CC=CN=C1Cl SBB000689 [0,2,0,0,0,0|2,0,0]=4 62 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 SBB007684 [0,2,0,0,0,0|1,0,1]=4 63 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SBB061269 [1,0,0,1,0,0|1,0,1]=4 64 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 SBB003589 [1,0,0,1,0,0|1,0,1]=4 65 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 SBB048410 [1,0,0,1,0,0|2,0,0]=4 66 B13R2.15 O=C1OCCN1C2=CC=CC=C2 SBB008146 [1,0,0,1,0,0|1,0,1]=4 67 B13R2.1613 O=CC1=C2C=CC=CC2=CC=N1 SBB066348 [1,0,0,1,0,0|2,0,0]=4 68 B13R2.1613 O=CC1=CC=CC2=C1C=CC=C2 SBB040200 [1,0,0,1,0,0|1,0,1]=4 69 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 SBB089080 [0,0,0,1,1,0|1,1,0]=4 70 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 SBB087440 [0,0,0,1,1,0|2,0,0]=4 71 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 SBB051629 [0,0,0,1,1,0|0,0,2]=4 72 B13R2.10 O=C1CC(C2=CC=CC=C2)=NN1 SBB073209 [0,0,0,1,1,0|2,0,0]=4 73 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 SBB068903 [0,0,0,1,1,0|2,0,0]=4 74 B13R2.10 O=C1NC(C2=CC=CC=C2)=NO1 SBB019418 [0,0,0,1,1,0|2,0,0]=4 75 B13R2.10 O=C1NC=C(C2=CC=CC=C2)N1 SBB072941 [0,0,0,1,1,0|2,0,0]=4 76 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 SBB003977 [0,0,0,1,1,0|1,0,1]=4 77 B13R2.72 CC(=O)C1=CSC2=C1C=CC=C2 SBB066387 [0,0,0,1,1,0|1,0,1]=4 78 B13R2.72 CC(=O)N1C=CC2=C1C=CC=C2 SBB071433 [0,0,0,1,1,0|1,0,0]=3 79 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 SBB090594 [0,0,0,1,0,1|1,0,0]=3 80 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 SBB000276 [0,0,0,1,0,1|2,0,0]=4 81 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C21 SBB044904 [0,0,0,1,0,1|2,0,0]=4 82 B15R2.68122 CC(=O)OC1=C2C=CC=CC2=CC=C1 SBB061263 [0,0,0,1,0,1|0,0,1]=3 83 B15R2.68122 CC(=O)OC1=C2N=CC=CC2=CC=C1 SBB116859 [0,0,0,1,0,1|1,0,1]=4 84 B15R2.612 N1C(=O)CC1OC(=O)C2=CC=CC=C2 SBB057574 [0,1,0,1,0,0|2,0,0]=4 85 B15R2.14628 CC(=O)C1=CC=C(F)C2=CC=CC=C12 SBB056324 [0,1,0,1,0,0|1,0,1]=4 86 B15R2.53147 CC(=O)OC1=CN(C)C2=C1C=CC=C2 SBB113176 [0,1,0,1,0,0|1,0,1]=4 87 B15R2.1162 CC(=O)C1=C2C=CC=CC2=CC=C1O SBB066980 [0,1,0,1,0,0|1,0,1]=4 88 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [0,0,0,0,2,0|0,0,2]=4 89 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [0,0,0,0,2,0|0,0,1]=3 90 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [0,0,0,0,2,0|2,0,0]=4 91 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [0,0,0,0,2,0|0,0,0]=2 92 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [0,0,0,0,2,0|1,0,0]=3 93 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [0,0,0,0,2,0|1,0,1]=4 94 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [0,0,0,0,2,0|1,0,1]=4 95 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [0,0,0,0,2,0|2,0,0]=4 96 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [0,0,0,0,2,0|2,0,0]=4 97 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [0,0,0,0,2,0|1,0,0]=3 98 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 SBB004096 [0,0,0,0,2,0|1,0,0]=3 99 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [0,0,0,0,2,0|1,0,1]=4 100 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [0,0,0,0,2,0|2,0,0]=4 101 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [0,0,0,0,2,0|1,0,0]=3 102 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 SBB040621 [0,0,0,0,2,0|1,0,0]=3 103 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [0,0,0,0,2,0|1,0,1]=4 104 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [0,0,0,0,2,0|2,0,0]=4 105 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [0,0,0,0,2,0|2,0,0]=4 106 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [0,0,0,0,2,0|2,0,0]=4 107 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [0,0,0,0,2,0|1,0,0]=3 108 B11R1.91 O=C(O)\C=C\C1=CC=CC=N1 SBB059539 [0,0,0,0,2,0|2,0,0]=4 109 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 SBB028466 [0,0,0,0,2,0|2,0,0]=4 110 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 SBB028467 [0,0,0,0,2,0|2,0,0]=4 111 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 SBB056972 [0,0,0,0,2,0|2,0,0]=4