0 B14R1.744 CC(=O)NC1=CC=CC=C1C(=O)NN SBB048283 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.744 COC(=O)C1=C(OC(C)=O)C=CC=C1 SBB007836 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.744 COC(=O)C1=C(OC(F)F)C=CC=C1 SBB020399 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.744 COC(=O)C1=CC=CC=C1NC(C)=O SBB080612 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.382 COC(=O)C1=C(N=C=S)C=CC=C1 SBB010050 [1,0,0,0,0,0|0,1,2]=4 5 B13R1.382 COC(=O)C1=CC=CC=C1N=C=O SBB046959 [1,0,0,0,0,0|0,0,2]=3 6 B13R1.589 CC(=O)NC1=C(C(C)C)C=CC=C1 SBB089300 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.589 CC(=O)NC1=CC=NC=C1[N+](=O)[O-] SBB089769 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.589 CC(=O)OC1=C(C(=O)Cl)C=CC=C1 SBB058712 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.589 CC(=O)OC1=C(C(=O)O)C=CC=C1 SBB015069 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.589 CC(C)SC1=C(C(=O)O)C=CC=C1 SBB049916 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.589 O=C(O)CC1=C(C(=O)O)C=CC=C1 SBB068822 [1,0,0,0,0,0|2,0,0]=3 12 B15R1.925 COC(=O)C1=C(NC(C)=O)C=CC(Br)=C1 SBB057933 [0,1,0,0,0,0|0,0,0]=1 13 B15R1.925 COC(=O)C1=CC(Cl)=CC=C1NC(C)=O SBB064649 [0,1,0,0,0,0|0,0,0]=1 14 B15R1.925 COC(=O)C1=CC(I)=CC=C1NC(C)=O SBB067794 [0,1,0,0,0,0|0,0,0]=1 15 B15R1.3847 CCC(=O)NC1=CC=CC=C1C(=O)OC SBB035815 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.3847 COC(=O)C1=CC=CC=C1NC(=O)CCl SBB000682 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.11372 COC(=O)C1=CC=CC=C1CS(N)(=O)=O SBB053739 [0,1,0,0,0,0|3,0,0]=4 18 B15R1.11372 COC(=O)C1=CC=CC=C1NS(C)(=O)=O SBB097451 [0,1,0,0,0,0|1,0,0]=2 19 B15R2.19309 COC(=O)C1=CC=CC2=C1OC(C)=N2 SBB053988 [0,0,0,1,0,0|2,0,0]=3 20 B15R2.24965 CC(=O)N1C(=O)C(=O)C2=CC=CC=C21 SBB006856 [0,0,0,1,0,0|2,0,0]=3 21 B15R2.39201 CC(=O)N1C=C(C=O)C2=C1C=CC=C2 SBB066667 [0,0,0,1,0,0|3,0,0]=4 22 B13R1.547 CCC(=O)C1=C(C(=O)O)C=CC=C1 SBB008184 [0,0,0,0,1,0|2,0,0]=3 23 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=C1 SBB007828 [0,0,0,0,1,0|1,0,0]=2 24 B13R1.547 COC(=O)C1=CC=CC=C1B(O)O SBB063239 [0,0,0,0,1,0|2,0,1]=4 25 B13R1.547 COC(=O)C1=CC=NC=C1C(=O)O SBB053821 [0,0,0,0,1,0|2,0,0]=3 26 B12R1.75 CC(=O)NC1=CC=CC=C1C#N SBB017250 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.75 CCC1=C(NC(C)=O)C=CC=C1 SBB058947 [2,0,0,0,0,0|0,0,1]=3 28 B12R1.75 CCC1=C(NC(N)=O)C=CC=C1 SBB087812 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.75 COC1=C(NC(N)=S)C=CC=C1 SBB055318 [2,0,0,0,0,0|1,1,0]=4 30 B12R1.75 COC1=CC=CC=C1CC(=O)O SBB063364 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.75 COC1=CC=CC=C1NC(N)=O SBB087990 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.77 CCC(=O)C1=CC=CC=C1OC SBB019455 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.77 CNC1=CC=CC=C1C(=O)OC SBB058534 [2,0,0,0,0,0|0,0,0]=2 34 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 SBB064193 [2,0,0,0,0,0|0,0,0]=2 35 B12R1.77 COC(=O)C1=C(CN)C=CC=C1 SBB092824 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.77 COC(=O)C1=CC=CC=C1C#N SBB053726 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.77 COC(=O)C1=CC=CC=C1OC SBB061390 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.283 CCOC1=CC=CC=C1C(=O)O SBB063520 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.283 CCOC1=CC=CC=C1C(C)=O SBB042629 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 SBB049901 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.283 O=CNC1=C(C(=O)O)C=CC=C1 SBB080669 [2,0,0,0,0,0|0,0,0]=2 42 B14R1.483 CCOC1=CC=CC=C1NC(=O)CCl SBB027548 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.814 CC(=O)NC1=C(NC(C)=O)C=CC=C1 SBB055310 [1,1,0,0,0,0|2,0,0]=4 44 B14R1.263 CCOC(=O)C1=C(N=C=O)C=CC=C1 SBB048848 [1,1,0,0,0,0|0,0,2]=4 45 B14R1.746 COC(=O)C1=C(C(=O)OC)C=CC=C1 SBB060335 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.164 CC(=O)NC1=C(C(=O)O)C=CC(F)=C1 SBB092124 [1,1,0,0,0,0|0,0,0]=2 47 B14R1.429 OC(=O)C(=O)C1=CC=CC=C1C(=O)O SBB003608 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.815 CC(=O)NC1=C(S(C)(=O)=O)C=CC=C1 SBB058988 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.3302 CC(C)C1=C(NC(=O)CN)C=CC=C1 SBB005011 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.3302 CC(C)C1=CC=CC=C1NC(=O)CCl SBB004522 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.3302 NC(=O)C1=C(NC(=O)CCl)C=CC=C1 SBB027434 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.3302 O=C(CCl)NC1=CC=CC=C1[N+](=O)[O-] SBB061858 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.4894 CC(=O)NC1=C(F)C=CC=C1C(=O)O SBB064460 [1,1,0,0,0,0|0,0,0]=2 54 B14R1.4894 CC(=O)NC1=C([N+](=O)[O-])C=CC=C1F SBB055370 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.4894 CC(=O)OC1=C(C(=O)O)C=CC=C1C SBB052707 [1,1,0,0,0,0|1,0,0]=3 56 B14R1.4926 CC(=O)NC1=C(C(=O)O)C(Cl)=CC=C1 SBB001736 [1,1,0,0,0,0|0,0,0]=2 57 B14R1.6074 CC(=O)NC1=C(C(=O)O)C=C(F)C=C1 SBB092125 [1,1,0,0,0,0|0,0,0]=2 58 B14R1.6074 CC(=O)NC1=C([N+](=O)[O-])C=C(C)C=C1 SBB108858 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.6074 CC(=O)NC1=CC=C(F)C=C1[N+](=O)[O-] SBB058018 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.623 CCOC(=O)C1=CC=CC=C1[N+](=O)[O-] SBB058472 [0,1,0,0,1,0|2,0,0]=4 61 B14R1.707 COC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-] SBB064180 [0,1,0,0,1,0|2,0,0]=4 62 B14R1.745 COC(=O)C1=CC=CC=C1S(=O)(=O)Cl SBB064247 [0,1,0,0,1,0|2,0,0]=4 63 B14R1.745 COC(=O)C1=CC=CC=C1S(N)(=O)=O SBB048292 [0,1,0,0,1,0|2,0,0]=4 64 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(N)C=C1 SBB017850 [0,1,0,0,1,0|2,0,0]=4 65 B14R1.724 COC(=O)C1=C(NC(C)=O)SC(C)=C1 SBB021283 [0,1,0,0,1,0|1,0,0]=3 66 B14R1.3308 COC(=O)C1=C(NC(=O)CCl)C=CS1 SBB046906 [0,1,0,0,1,0|1,0,0]=3 67 B14R1.3308 COC(=O)C1=C(NC(=O)CCl)SC=C1 SBB098140 [0,1,0,0,1,0|1,0,0]=3 68 B16R1.1332 COC(=O)CSC1=C(C(=O)OC)C=CC=C1 SBB072243 [0,1,0,0,0,1|1,0,0]=3 69 B16R1.960 CCOC(=O)C1=C(NC(=O)CCl)C=CC=C1 SBB017390 [0,2,0,0,0,0|0,0,0]=2 70 B16R1.17237 COC(=O)C1=C(N(C)S(C)(=O)=O)C=CC=C1 SBB071801 [0,2,0,0,0,0|1,0,0]=3 71 B16R1.1556 CCCC(=O)NC1=C(C(=O)OC)C=CC=C1 SBB062121 [0,2,0,0,0,0|0,0,0]=2 72 B16R1.1556 CCOC(=O)CC1=CC=CC=C1C(=O)OC SBB006248 [0,2,0,0,0,0|1,0,0]=3 73 B16R1.1556 CCOC(=O)NC1=C(C(=O)OC)C=CC=C1 SBB071539 [0,2,0,0,0,0|0,0,0]=2 74 B16R1.1556 COC(=O)C1=CC=CC=C1NC(=O)CC#N SBB095576 [0,2,0,0,0,0|0,0,0]=2 75 B14R2.738 CC1=NC2=C(C=CC=C2)NC(=O)C1 SBB009494 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 SBB039215 [1,0,0,1,0,0|2,0,0]=4 77 B14R2.8188 CN1C(=O)C2=CC=CC=C2NC1=S SBB043070 [1,0,0,1,0,0|1,1,0]=4 78 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O SBB006365 [1,0,0,1,0,0|1,0,0]=3 79 B14R2.10782 COC(=O)C1=C2C=CNC2=CC=C1 SBB048177 [1,0,0,1,0,0|2,0,0]=4 80 B14R2.10782 COC(=O)C1=C2OC=NC2=CC=C1 SBB053987 [1,0,0,1,0,0|2,0,0]=4 81 B14R2.10782 COC(=O)C1=CC=CC2=C1NC=C2 SBB066736 [1,0,0,1,0,0|0,0,1]=3 82 B14R2.712 CC1=NC2=C(O1)C(C(=O)O)=CC=C2 SBB012664 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 SBB066741 [1,0,0,1,0,0|0,0,0]=2 84 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 SBB053516 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O SBB012369 [0,0,0,1,1,0|1,0,1]=4 86 B14R2.7724 CC1CC(=O)C2=C(C=CC=C2)C1=O SBB058530 [0,0,0,1,1,0|1,0,0]=3 87 B16R2.33951 COC(=O)C1=CC(C)=NC2=C1C=CC=C2 SBB019858 [0,0,0,1,0,1|1,0,1]=4 88 B16R2.33951 O=C1CN(C(=O)CCl)C2=CC=CC=C2N1 SBB018188 [0,0,0,1,0,1|2,0,0]=4 89 B16R2.39178 COC1=C2C=CC=CC2=C(C(C)=O)C=C1 SBB067071 [0,1,0,1,0,0|2,0,0]=4 90 B16R2.12532 CC(=O)N1C(=O)C(=O)C2=C1C=CC(F)=C2 SBB014132 [0,1,0,1,0,0|2,0,0]=4 91 B16R2.12532 CC(=O)N1C(=O)C(=O)C2=CC(Br)=CC=C21 SBB038768 [0,1,0,1,0,0|2,0,0]=4 92 B16R2.12532 CC(=O)N1C(=O)C(=O)C2=CC(Cl)=CC=C21 SBB038767 [0,1,0,1,0,0|2,0,0]=4 93 B16R2.400351 CC(=O)C1=CN(C(C)=O)C2=C1C=CC=C2 SBB012399 [0,1,0,1,0,0|2,0,0]=4 94 B16R2.496297 CC1=C(C)N(C(=O)CCl)C2=C1C=CC=C2 SBB041699 [0,1,0,1,0,0|2,0,0]=4 95 B16R2.496297 CCC(=O)N1C(=O)C(=O)C2=CC=CC=C21 SBB115926 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 SBB000148 [1,0,0,0,1,0|1,0,1]=4 97 B12R1.261 CC(=O)C1=C(C(C)=O)C=CC=C1 SBB008490 [1,0,0,0,1,0|0,0,0]=2 98 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O SBB038601 [1,0,0,0,1,0|0,0,0]=2 99 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O SBB052751 [1,0,0,0,1,0|1,0,0]=3 100 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O SBB072166 [1,0,0,0,1,0|1,0,0]=3 101 B12R1.261 NC(=O)C1=CC=CC=C1C(N)=O SBB007536 [1,0,0,0,1,0|2,0,0]=4 102 B12R1.261 NC(=O)C1=NC=CC=C1C(=O)O SBB087972 [1,0,0,0,1,0|2,0,0]=4 103 B12R1.261 O=C(Cl)C1=CC=CC=C1C(=O)Cl SBB060270 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.261 O=C(O)C1=C(C(=O)O)C=CC=C1 SBB058481 [1,0,0,0,1,0|1,0,0]=3 105 B12R1.261 O=C(O)C1=CC=CC=C1[N+](=O)[O-] SBB058380 [1,0,0,0,1,0|2,0,0]=4 106 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O SBB040573 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.261 O=C(O)C1=CC=NC=C1C(=O)O SBB028479 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.392 CC(=O)NC1=C(C(=O)O)C=CS1 SBB014501 [1,0,0,0,1,0|1,0,0]=3 109 B14R1.4522 C=C(C)COC1=CC=CC=C1C(=O)O SBB080149 [1,0,0,0,0,1|2,0,0]=4 110 B14R1.4522 O=C(O)CCC1=C(C(=O)O)C=CC=C1 SBB068826 [1,0,0,0,0,1|2,0,0]=4 111 B14R1.4522 O=C(O)CNC1=CC=CC=C1C(=O)O SBB006542 [1,0,0,0,0,1|1,0,0]=3 112 B14R1.4522 O=C(O)COC1=CC=CC=C1C(=O)O SBB058318 [1,0,0,0,0,1|2,0,0]=4 113 B14R1.4522 O=C(O)CSC1=C(C(=O)O)C=CC=C1 SBB046507 [1,0,0,0,0,1|2,0,0]=4 114 B14R1.4522 O=C(O)\C=C\C1=C(C(=O)O)C=CC=C1 SBB068845 [1,0,0,0,0,1|2,0,0]=4 115 B14R1.733 CC(=O)NC1=CC(C(=O)NN)=CC=C1 SBB019867 [0,0,0,0,1,1|2,0,0]=4