0 B13R2.12159 CC1(C)CC(=O)C2=C1C=CC=C2 D54541 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 D10521 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.12159 O=C1CS(=O)(=O)C2=C1C=CC=C2 B48231 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=C2 S55431 [0,0,0,0,0,0|0,0,0]=0 4 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=C2 S60734 [0,0,0,0,0,0|0,0,0]=0 5 B13R2.12159 O=C1OI(=O)(O)C2=C1C=CC=C2 K67404 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 S62295 [0,0,0,0,0,0|1,0,0]=1 7 B13R2.12159 O=C1SS(=O)(=O)C2=C1C=CC=C2 B4722 [0,0,0,0,0,0|1,0,0]=1 8 B13R2.12159 O=S1(=O)NC(=S)C2=C1C=CC=C2 B45003 [0,0,0,0,0,0|0,1,0]=1 9 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.2028 O=C1NC(=O)C2=NC=CC=C12 P67808 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 P15540 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 P15539 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 P60753 [1,0,0,0,0,0|1,0,1]=3 20 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 B62427 [1,0,0,0,0,0|1,0,0]=2 21 B14R2.4643 CC1(C)NC(=O)C2=C1C=CC(Br)=C2 B12978 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.4643 CC1(C)NC(=O)C2=C1C=CC(N)=C2 A12928 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(Br)C=C2 B13448 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(Cl)C=C2 C60099 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(O)C=C2 D12927 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.8732 O=C1CS(=O)(=O)C2=C1C=CC(Br)=C2 B64558 [0,1,0,0,0,0|1,0,0]=2 27 B14R2.8732 O=C1NS(=O)(=O)C2=C1C=CC(Br)=C2 B44466 [0,1,0,0,0,0|0,0,0]=1 28 B14R2.8732 O=C1NS(=O)(=O)C2=C1C=CC(Cl)=C2 C63029 [0,1,0,0,0,0|0,0,0]=1 29 B14R2.55357 O=S1(=O)CS(=O)(=O)C2=C1C=CC=C2 B61108 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 E46851 [0,0,1,0,0,0|2,0,1]=4 31 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 C65009 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.76 COC1=C(S(=O)(=O)Cl)C=CC=C1 M45940 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.76 CS(=O)(=O)C1=C(C=O)C=CC=C1 M49111 [0,0,1,0,0,0|1,0,0]=2 34 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,0,1,0,0,0|2,0,1]=4 37 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=C1 A51621 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=C1 N39479 [0,0,1,0,0,0|2,0,1]=4 39 B12R1.261 NC(=O)C1=C(B(O)O)C=CC=C1 A1140 [0,0,1,0,0,0|1,0,2]=4 40 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 N69314 [0,0,1,0,0,0|2,0,1]=4 41 B14R2.29285 C[Si]1(C)CNC(=O)C2=C1C=CC=C2 D61914 [0,0,0,0,0,1|3,0,0]=4 42 B14R2.29496 N[C@H]1CS(=O)(=O)CC2=C1C=CC=C2 A4117 [0,0,0,0,0,1|2,0,1]=4 43 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 V37846 [1,0,1,0,0,0|1,0,0]=3 44 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 M46268 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 C45914 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.53 COC1=C(C(N)=O)C=CC=C1 M60565 [1,0,1,0,0,0|1,1,0]=4 47 B11R1.87 CC1=C(S(=O)(=O)O)C=CC=C1 M46272 [1,0,1,0,0,0|1,0,1]=4 48 B11R1.87 CC1=CC=CN=C1S(N)(=O)=O M43233 [1,0,1,0,0,0|1,0,1]=4 49 B11R1.87 CS(=O)(=O)C1=C(N)C=CC=C1 M61771 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.87 CS(=O)(=O)C1=CC=CNC1=O M63721 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.87 NC1=C(S(=O)(=O)Cl)C=CC=C1 A42864 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.87 NS(=O)(=O)C1=C(Br)C=CC=C1 B42856 [1,0,1,0,0,0|1,0,0]=3 53 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CN=C1 C40904 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.87 NS(=O)(=O)C1=C(F)C=CC=C1 F67903 [1,0,1,0,0,0|1,0,0]=3 55 B11R1.87 O=S(=O)(Cl)C1=C(F)C=CC=C1 F39248 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.87 O=S(=O)(F)C1=C(F)C=CC=C1 F42323 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.87 O=S(=O)(O)C1=C(I)C=CC=C1 K42719 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.87 O=S(=O)([O-])C1=C(I)C=CC=C1 S62810 [1,0,1,0,0,0|2,0,0]=4 59 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [2,0,0,0,0,0|1,0,0]=3 60 B11R2.1 O=C1NCC2=C1C=CC=N2 D45227 [2,0,0,0,0,0|2,0,0]=4 61 B11R2.1 O=C1NCC2=C1C=NC=C2 D1721 [2,0,0,0,0,0|2,0,0]=4 62 B11R2.1 O=C1NN=C2C=CC=CN12 T42480 [2,0,0,0,0,0|2,0,0]=4 63 B11R2.1 O=C1NNC2=C1C=CC=N2 P42478 [2,0,0,0,0,0|2,0,0]=4 64 B11R2.1 O=C1NNC2=C1C=CN=C2 P42479 [2,0,0,0,0,0|2,0,0]=4 65 B13R1.122 N#CC=CS(=O)(=O)C1=CC=CC=C1 P51192 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 P50368 [0,1,1,0,0,0|1,0,1]=4 67 B13R1.349 CS(=O)(=O)C1=C(C(=O)O)C=CC=C1 M67504 [0,1,1,0,0,0|1,0,0]=3 68 B13R1.349 NS(=O)(=O)C1=C([N+](=O)[O-])C=CC=C1 N29880 [0,1,1,0,0,0|1,0,0]=3 69 B13R1.349 O=C(O)C1=C(S(=O)(=O)Cl)C=CC=C1 C45133 [0,1,1,0,0,0|1,0,0]=3 70 B13R1.349 O=C(O)C1=C(S(=O)(=O)O)C=CC=C1 S45541 [0,1,1,0,0,0|1,0,0]=3 71 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 M62452 [0,1,1,0,0,0|1,0,0]=3 72 B13R1.352 O=C(CS(=O)(=O)[O-])C1=CC=CC=C1 S48706 [0,1,1,0,0,0|1,0,0]=3 73 B13R1.165 NC(=O)C1=C([N+](=O)[O-])C=CC(F)=C1 F44815 [0,1,1,0,0,0|1,0,1]=4 74 B13R2.3085 NN1C(=O)C2=C(C=CC=C2)C1=O A67668 [1,1,0,0,0,0|1,0,0]=3 75 B13R2.3085 O=C1C(=O)C2=C(C=CC=C2)C1=O T69116 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1Cl C39456 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O H37816 [1,1,0,0,0,0|1,0,0]=3 78 B13R2.4857 NC1=C2C(=O)NC(=O)C2=CC=C1 A37757 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.4857 O=C1NC(=O)C2=C(Br)C=CC=C12 B32243 [1,1,0,0,0,0|1,0,0]=3 80 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 F47315 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 H29824 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O A60947 [1,1,0,0,0,0|1,0,0]=3 83 B13R2.5187 O=C1NC(=O)C2=C1C=CC(Br)=C2 B10447 [1,1,0,0,0,0|1,0,0]=3 84 B13R2.5187 O=C1NC(=O)C2=C1C=CC(Cl)=C2 C25030 [1,1,0,0,0,0|1,0,0]=3 85 B13R2.5187 O=C1NC(=O)C2=C1C=CC(O)=C2 H47726 [1,1,0,0,0,0|1,0,0]=3 86 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 B0642 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 C37696 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.5187 O=C1OC(=O)C2=C1C=CC(O)=C2 H22780 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.3791 NC1=CC2=C(C=C1)C=CS2(=O)=O A48492 [1,1,0,0,0,0|1,0,0]=3 90 B13R2.3791 O=S1(=O)NCC2=C1C=C(Br)C=C2 B61295 [1,1,0,0,0,0|0,0,1]=3 91 B15R2.7494 O=C1CCS(=O)(=O)C2=C1C=C(Cl)C=C2 C62244 [0,1,0,0,0,1|1,0,0]=3 92 B15R2.202 O=CN1C(=O)C2=C(C=CC=C2)S1(=O)=O F47742 [0,2,0,0,0,0|0,0,0]=2 93 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Q67745 [0,0,1,1,0,0|2,0,0]=4 94 B13R2.371 O=C1CNC(=O)C2=C1C=CC=C2 D51185 [0,0,1,1,0,0|2,0,0]=4 95 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,0,1,0,1,0|2,0,0]=4