0 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 CS-W021857 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 CN1C(=O)NC2=CC=CC=C21 CS-0035509 [0,0,0,0,0,0|1,0,0]=1 2 B11R2.1 BrC1=CNC2=C1N=CC=C2 CS-W006051 [1,0,0,0,0,0|3,0,0]=4 3 B11R2.1 CC1=CNC2=NC=CC=C12 CS-B0512 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 ClC1=CNC2=C1C=CC=N2 CS-0003968 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 IC1=CNC2=NC=CC=C12 CS-0004128 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 CS-W013372 [1,0,0,0,0,0|2,0,1]=4 7 B11R2.10 CC1=CC2=CC=CC=C2N1 CS-W007556 [1,0,0,0,0,0|2,0,0]=3 8 B11R2.10 CC1=NC2=CC=CC=C2O1 CS-0095153 [1,0,0,0,0,0|2,0,1]=4 9 B11R2.10 CC1=NC2=CC=CC=C2S1 CS-W009170 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.10 ClC1=NC2=CC=CC=C2N1 CS-W016291 [1,0,0,0,0,0|1,0,1]=3 11 B11R2.10 ClC1=NC2=CC=CC=C2O1 CS-0030558 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.10 N=C1NC2=CC=CC=C2S1 CS-W018140 [1,0,0,0,0,0|2,0,0]=3 13 B11R2.10 O=C1CC2=C(C=CC=C2)C1 CS-W020518 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.10 S=C1NC2=CC=CC=C2N1 CS-W023180 [1,0,0,0,0,0|0,1,0]=2 15 B11R2.10 S=C1NC2=CC=CC=C2S1 CS-W017829 [1,0,0,0,0,0|1,1,0]=3 16 B11R2.10 SC1=NC2=C(N=CC=C2)N1 CS-0043982 [1,0,0,0,0,0|1,1,1]=4 17 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 CS-W007520 [0,1,0,0,0,0|2,0,1]=4 18 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=C2 CS-W009190 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O CS-W010873 [0,1,0,0,0,0|1,0,1]=3 20 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O CS-W007383 [0,1,0,0,0,0|1,0,1]=3 21 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O CS-W007549 [0,1,0,0,0,0|1,0,1]=3 22 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O CS-0041245 [0,1,0,0,0,0|1,0,1]=3 23 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O CS-W009274 [0,1,0,0,0,0|1,0,1]=3 24 B13R2.4856 O=C1NC2=C(C1=O)C(Br)=CC=C2 CS-W008631 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CS-W019544 [0,0,1,0,0,0|2,0,1]=4 26 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CS-W019313 [0,0,1,0,0,0|2,0,0]=3 27 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS-W010964 [0,0,1,0,0,0|3,0,0]=4 28 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CS-W018122 [0,0,1,0,0,0|3,0,0]=4 29 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CS-D1423 [0,0,1,0,0,0|2,0,0]=3 30 B11R1.40 C=CC(=O)NC1=CC=CC=C1 CS-W019368 [0,0,1,0,0,0|2,0,0]=3 31 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 CS-0019244 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 CS-W006004 [0,0,0,0,0,1|2,0,1]=4 33 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CS-M0780 [0,0,0,0,0,1|1,0,1]=3 34 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [1,0,1,0,0,0|1,0,1]=4 35 B10R1.18 N=C(O)NC1=CC=CC=C1 CS-W017760 [1,0,1,0,0,0|1,0,0]=3 36 B10R1.20 COC1=CC=CC=C1C=O CS-W018515 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.61 NC(=O)C1=CC=CC=C1N CS-D1680 [1,0,1,0,0,0|2,0,0]=4 38 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS-D0792 [1,0,1,0,0,0|2,0,0]=4 39 B10R1.61 NC1=CC=CC=C1B(O)O CS-W008208 [1,0,1,0,0,0|1,0,1]=4 40 B10R1.61 O=C(O)C1=CC=CC=C1F CS-W019975 [1,0,1,0,0,0|2,0,0]=4 41 B10R2.7 C1=CC2=C(C=C1)CC=C2 CS-0015092 [2,0,0,0,0,0|2,0,0]=4 42 B10R2.7 C1=CC=C2NN=NC2=C1 CS-D1407 [2,0,0,0,0,0|1,0,1]=4 43 B10R2.7 C1=CC=C2OC=NC2=C1 CS-W004722 [2,0,0,0,0,0|1,0,1]=4 44 B10R2.7 C1=CC=C2SC=NC2=C1 CS-W013350 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS-0059256 [0,1,1,0,0,0|2,0,0]=4 46 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 CS-W016914 [0,1,1,0,0,0|2,0,0]=4 47 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CS-0059225 [0,1,1,0,0,0|2,0,0]=4 48 B12R1.49 CNC(=O)CC1=CC=C(Cl)C=C1 CS-0038025 [0,1,1,0,0,0|2,0,0]=4 49 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 CS-B1335 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.371 CC1=C(NC(=S)NN)C=CC=C1 CS-W017148 [0,1,1,0,0,0|1,1,0]=4 51 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 CS-0034511 [1,1,0,0,0,0|2,0,0]=4 52 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 CS-W006197 [1,1,0,0,0,0|1,0,1]=4 53 B12R2.612 OC1=NNC2=CC(Br)=CC=C21 CS-W022448 [1,1,0,0,0,0|2,0,0]=4 54 B12R2.32 CCC1=NC2=CC=CC=C2N1 CS-0030568 [1,1,0,0,0,0|1,0,1]=4 55 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 CS-0030505 [1,1,0,0,0,0|2,0,0]=4 56 B12R2.32 O=CC1=NC2=CC=CC=C2N1 CS-W004873 [1,1,0,0,0,0|0,0,1]=3 57 B12R2.202 FC1=C2NC(Cl)=NC2=CC=C1 CS-0019013 [1,1,0,0,0,0|1,0,1]=4 58 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 CS-W022163 [1,1,0,0,0,0|1,0,0]=3 59 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 CS-0030555 [1,1,0,0,0,0|1,0,0]=3 60 B12R2.202 S=C1NC2=CC=CC(Cl)=C2S1 CS-0043083 [1,1,0,0,0,0|1,1,0]=4 61 B12R2.606 CC1=NC2=CC(I)=CC=C2N1 CS-0041379 [1,1,0,0,0,0|1,0,1]=4 62 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)N2 CS-W006240 [1,1,0,0,0,0|1,0,1]=4 63 B12R2.606 N=C1NC2=C(C=CC(Br)=C2)O1 CS-W005168 [1,1,0,0,0,0|2,0,0]=4 64 B12R2.606 N=C1NC2=C(C=CC(F)=C2)S1 CS-W014376 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CS-W019563 [1,1,0,0,0,0|0,0,0]=2 66 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 CS-W008941 [1,1,0,0,0,0|1,0,0]=3 67 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 CS-W008657 [1,1,0,0,0,0|1,0,0]=3 68 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CS-W022467 [1,1,0,0,0,0|1,0,0]=3 69 B12R2.606 O=C1NC2=CC=C(Cl)C=C2N1 CS-W020374 [1,1,0,0,0,0|0,0,0]=2 70 B12R2.606 OC1=CC=C2NC(=S)NC2=C1 CS-0040540 [1,1,0,0,0,0|0,1,0]=3 71 B12R2.606 S=C1NC2=CC(Br)=CC=C2S1 CS-0041479 [1,1,0,0,0,0|1,1,0]=4 72 B12R2.606 S=C1NC2=CC=C(Cl)C=C2N1 CS-0094540 [1,1,0,0,0,0|0,1,0]=3 73 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)NC2=O CS-D0548 [0,1,0,0,0,1|1,0,1]=4 74 B14R2.8235 O=C1NC(=O)C2=C(C=CC(Cl)=C2)N1 CS-D0596 [0,1,0,0,0,1|1,0,1]=4 75 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(=O)O1 CS-M1949 [0,1,0,0,0,1|1,0,1]=4 76 B14R2.29365 O=C1NC(=O)C2=C(C=C(I)C=C2)N1 CS-0040089 [0,1,0,0,0,1|1,0,1]=4 77 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 CS-0102806 [0,1,0,0,0,1|1,0,1]=4 78 B14R2.8716 CN1C(=O)C(=O)C2=C1C=CC(Br)=C2 CS-0041627 [0,2,0,0,0,0|1,0,1]=4 79 B12R2.24 O=C1COC2=CC=CN=C2N1 CS-W002009 [0,0,1,1,0,0|2,0,0]=4 80 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS-W021936 [0,0,1,0,0,1|2,0,0]=4