0 B13R2.57 COC1=CC2=C(C=C1)CNCC2 CS-B0956 [0,0,0,0,0,0|1,0,3]=4 1 B13R2.57 COC1=CC2=C(C=C1)CNCC2 CS-M3403 [0,0,0,0,0,0|1,0,3]=4 2 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS-W004804 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CS-D1121 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.24 BrC1=CC2=CN=CN=C2C=C1 CS-D1650 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.24 BrC1=CC2=NC=NC=C2C=C1 CS-W008870 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 BrC1=CC=C2C=NN=CC2=C1 CS-W006073 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 CS-W020069 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 CS-W008094 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS-W016413 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CS-0019265 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.24 ClC1=CC2=C(C=CC=N2)C=C1 CS-W005984 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS-W007458 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 CS-W005337 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS-W007524 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS-W008203 [1,0,0,0,0,0|1,0,0]=2 16 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br CS-0041650 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 CS-W004895 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 CS-D0103 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.134 COC1=CC2=C(C=C1)CCC(O)=N2 CS-0043696 [0,1,0,0,0,0|1,0,2]=4 20 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 CS-W017503 [0,1,0,0,0,0|0,0,0]=1 21 B14R2.142 COC1=CC2=C(Br)C=CN=C2C=C1 CS-W014666 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2O CS-W017452 [0,1,0,0,0,0|1,0,0]=2 23 B14R2.142 COC1=CC=C2OCCC(=O)C2=C1 CS-0028287 [0,1,0,0,0,0|1,0,2]=4 24 B14R2.142 O=CC1=NC2=C(C=CC=C2O)C=C1 CS-W017556 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CS-B1305 [0,1,0,0,0,0|1,0,0]=2 26 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 CS-0053589 [0,1,0,0,0,0|1,0,0]=2 27 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS-D0699 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS-W007519 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 CS-D0464 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.781 O=N(=O)C1=CC=C2N=CC=CC2=C1 CS-W017512 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 CS-W017504 [0,1,0,0,0,0|0,0,0]=1 32 B12R1.27 COC(=O)CCC1=CC=CC=C1 CS-W007828 [0,0,1,0,0,0|1,0,2]=4 33 B12R1.371 COC(=O)CC1=CC=CC=C1Cl CS-0030578 [0,0,1,0,0,0|2,0,1]=4 34 B12R2.32 CCC1=NC2=CC=CC=C2N1 CS-0030568 [0,0,0,0,1,0|3,0,0]=4 35 B12R2.32 CSC1=NC2=CC=CC=C2S1 CS-W023165 [0,0,0,0,1,0|2,1,0]=4 36 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 CS-0030505 [0,0,0,0,1,0|3,0,0]=4 37 B12R2.32 OCC1=CC2=CC=CC=C2O1 CS-0062599 [0,0,0,0,1,0|3,0,0]=4 38 B12R2.44 COC1=CC2=C(C=C1)CCN2 CS-0043041 [0,0,0,0,1,0|1,0,2]=4 39 B12R2.44 COC1=CC2=C(C=C1)N=NS2 CS-W020430 [0,0,0,0,1,0|3,0,0]=4 40 B12R2.44 COC1=CC=C2C=CNC2=N1 CS-B0494 [0,0,0,0,1,0|2,0,0]=3 41 B12R2.44 COC1=CC=C2NC=CC2=C1 CS-W007328 [0,0,0,0,1,0|1,0,0]=2 42 B12R2.44 COC1=NC=C2NC=CC2=C1 CS-W010982 [0,0,0,0,1,0|2,0,0]=3 43 B12R2.44 N#CC1=CC=C2NC=CC2=C1 CS-M1444 [0,0,0,0,1,0|3,0,0]=4 44 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CS-D1053 [0,0,0,0,1,0|3,0,0]=4 45 B12R2.44 O=CC1=CC=C2OC=CC2=C1 CS-W008821 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [1,0,1,0,0,0|1,0,1]=4 47 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-0031477 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.279 COC1=CC=C(C=O)C(C)=C1 CS-W007786 [1,0,1,0,0,0|1,0,1]=4 49 B11R1.40 C=CC(=O)NC1=CC=CC=C1 CS-W019368 [1,0,1,0,0,0|1,0,1]=4 50 B11R2.20 C1=CC2=CN=CC=C2N=C1 CS-W011109 [2,0,0,0,0,0|2,0,0]=4 51 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS-W013448 [2,0,0,0,0,0|1,0,0]=3 52 B11R2.20 C1=CN=C2C=CC=NC2=C1 CS-B0780 [2,0,0,0,0,0|2,0,0]=4 53 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 CS-W020629 [0,1,1,0,0,0|1,0,0]=3 54 B13R1.643 COC1=CC(\C=C\[N+](=O)[O-])=CC=C1 CS-M1346 [0,1,1,0,0,0|2,0,0]=4 55 B13R2.32 CC1=C(Br)C=CC2=C1N=CC=C2 CS-W005742 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 CS-W008445 [1,1,0,0,0,0|1,0,0]=3 57 B13R2.155 O=C1C=C2C=C(Br)C=CC2=CN1 CS-W009202 [1,1,0,0,0,0|1,0,1]=4 58 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 CS-W019815 [1,1,0,0,0,0|1,0,0]=3 59 B13R2.155 OC1=NC2=C(C=CC(Br)=C2)C=C1 CS-W006087 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.162 CC1=NC2=C(C=CC=C2Br)C=C1 CS-W008274 [1,1,0,0,0,0|1,0,0]=3 61 B13R2.162 ClC1=CC2=C(C=CN=C2Cl)C=C1 CS-W021293 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.162 ClC1=CC=CC2=C1N=C(Cl)C=C2 CS-W010549 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 CS-M2624 [1,1,0,0,0,0|0,0,0]=2 64 B13R2.162 NC1=NC=CC2=C1C=C(Br)C=C2 CS-W005231 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 CS-D1708 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.162 O=C1C=COC2=CC=C(F)C=C12 CS-0063923 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.162 OC1=CC=NC2=C1C=C(Br)C=C2 CS-M0119 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.162 OC1=CC=NC2=C1C=C(I)C=C2 CS-D0866 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 CS-W017357 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 CS-W017355 [1,1,0,0,0,0|1,0,0]=3 71 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=N1 CS-W022143 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 CS-0019244 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.328 ClC1=CC(Cl)=C2C=CC=NC2=C1 CS-W009236 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 CS-W006264 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.328 OC1=CC(Br)=C2C=CC=CC2=C1 CS-0040518 [1,1,0,0,0,0|0,0,0]=2 76 B13R2.328 OC1=CC(Cl)=C2N=CC=CC2=C1 CS-0029519 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 CS-W019257 [1,1,0,0,0,0|1,0,0]=3 78 B13R2.369 FC1=CC2=C(C=CN=C2)C=C1Br CS-0040096 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 CS-0020042 [1,1,0,0,0,0|1,0,0]=3 80 B13R2.3683 CC1=CC2=C(C=C1)N=C(C)C=C2 CS-W010911 [1,1,0,0,0,0|1,0,0]=3 81 B13R2.3683 ClC1=CC2=C(C=N1)C=C(Br)C=C2 CS-0044862 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.3683 O=C1C=CC2=CC(Cl)=CC=C2N1 CS-W017247 [1,1,0,0,0,0|1,0,1]=4 83 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 CS-0102162 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.5179 NC1=CC=NC2=CC(Cl)=CC=C12 CS-D0096 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 CS-0105280 [1,1,0,0,0,0|1,0,1]=4 86 B13R2.5179 O=C1NC=CC2=C1C=CC(Br)=C2 CS-B0782 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.1 NCCC1=COC2=CC=CC=C12 CS-W019375 [0,1,0,0,1,0|2,0,0]=4 88 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 CS-0062007 [0,1,0,0,1,0|1,0,1]=4 89 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 CS-W015634 [0,1,0,0,1,0|2,0,0]=4 90 B13R2.2121 COC1=CC=C2N=C(Br)SC2=C1 CS-M0621 [0,1,0,0,1,0|2,0,0]=4 91 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 CS-D1441 [0,1,0,0,1,0|2,0,0]=4 92 B13R2.2121 COC1=CC=C2SC(=S)NC2=C1 CS-0042731 [0,1,0,0,1,0|2,0,0]=4 93 B15R2.627 O=C(O)C1=C(Br)C2=CC=CC=C2C=C1 CS-W014099 [0,2,0,0,0,0|2,0,0]=4 94 B15R2.627 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1O CS-W007968 [0,2,0,0,0,0|2,0,0]=4 95 B15R2.1290 CCOC1=CC=C2N=CC=C(O)C2=C1 CS-0069294 [0,2,0,0,0,0|1,0,0]=3 96 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 CS-W016903 [0,2,0,0,0,0|1,0,1]=4 97 B15R2.89396 COC1=CC2=C(C=C1)C(O)=CC(=O)N2 CS-0097851 [0,2,0,0,0,0|1,0,0]=3 98 B15R2.89396 COC1=CC=C2C(=C1)N=C(Cl)N=C2Cl CS-W019059 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.89396 COC1=CC=C2C(O)=CC(=O)OC2=C1 CS-0063810 [0,2,0,0,0,0|1,0,0]=3 100 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O CS-W016820 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.2310 COC1=CC=C2C(=C1)C=CC=C2OC CS-M0856 [0,2,0,0,0,0|0,0,0]=2 102 B11R1.222 COC(=O)C1=CC=CC=C1N CS-W019645 [0,0,1,0,1,0|2,0,0]=4 103 B11R2.1 CC1=CNC2=NC=CC=C12 CS-B0512 [1,0,0,0,1,0|2,0,0]=4 104 B11R2.10 CC1=CC2=CC=CC=C2N1 CS-W007556 [1,0,0,0,1,0|1,0,0]=3 105 B11R2.10 CC1=NC2=CC=CC=C2O1 CS-0095153 [1,0,0,0,1,0|2,0,0]=4 106 B11R2.10 CC1=NC2=CC=CC=C2S1 CS-W009170 [1,0,0,0,1,0|2,0,0]=4 107 B11R2.36 CC1=CC2=C(C=CN2)C=C1 CS-W007349 [1,0,0,0,1,0|1,0,0]=3 108 B11R2.36 CC1=CC=C2C=CNC2=N1 CS-B0515 [1,0,0,0,1,0|2,0,0]=4 109 B11R2.36 CC1=CN=C2NC=CC2=C1 CS-D0725 [1,0,0,0,1,0|2,0,0]=4 110 B11R2.36 ClC1=CC=C2NC=CC2=C1 CS-W007384 [1,0,0,0,1,0|2,0,0]=4 111 B11R2.36 NC1=CC=C2NC=CC2=C1 CS-W007509 [1,0,0,0,1,0|2,0,0]=4 112 B11R2.36 OC1=CC=C2NN=CC2=C1 CS-D0862 [1,0,0,0,1,0|2,0,0]=4 113 B11R2.36 OC1=CN=C2NC=CC2=C1 CS-D0720 [1,0,0,0,1,0|2,0,0]=4