0 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl M10297775P [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl M10217721P [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br M10231707P [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O M10138641P [0,0,0,0,0,0|2,0,1]=3 4 B13R2.369 OC1=NC2=CC=CC=C2N=C1C M10128034P [0,0,0,0,0,0|3,0,0]=3 5 B13R2.369 OC1=NC2=CC=CC=C2N=C1Cl M10228171P [0,0,0,0,0,0|3,0,0]=3 6 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 M10152600P [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 BrC1=CC2=CN=CC=C2N=C1 M10152595P [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 M10152593P [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 M10005935P [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 M10071165P [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 M10279456P [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 CC1=CC2=C(C=NC=C2)C=C1 M10248668P [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 ClC1=CC=C2C=CC=CC2=C1 M10002070P [1,0,0,0,0,0|2,0,0]=3 14 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 M10015995P [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 ClC1=NC=C2C=CC=CC2=N1 M10084266P [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 FC1=CC=C2C=CC=CC2=C1 M10008277P [1,0,0,0,0,0|2,0,0]=3 17 B12R2.24 FC1=CC=C2N=CC=CC2=C1 M10010034P [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 NC1=CC2=C(C=C1)C=CN=C2 M10181358P [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 NC1=CC2=C(C=N1)C=CC=C2 M10189864P [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 NC1=CC2=C(C=NC=C2)C=C1 M10181272P [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 NC1=CC=C2C=CC=CC2=C1 M10002071P [1,0,0,0,0,0|2,0,0]=3 22 B12R2.24 NC1=NC2=CC=CC=C2C=C1 M10014666P [1,0,0,0,0,0|2,0,0]=3 23 B12R2.24 O=C1NC2=CN=CC=C2C=C1 M10279455P [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 O=C1OCC2=C(C=CC=C2)C1 M10062650P [1,0,0,0,0,0|2,0,1]=4 25 B12R2.24 OC1=CC=C2N=CC=NC2=C1 M10106211P [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 [O-][N+]1=CC=C2C=CC=CC2=C1 M10032371P [1,0,0,0,0,0|2,0,1]=4 27 B14R2.1128 N#CC1=CC2=CC=CC=C2N=C1Cl M10624912P [0,1,0,0,0,0|3,0,0]=4 28 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C M10040845P [0,0,1,0,0,0|1,0,0]=2 29 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [0,0,1,0,0,0|0,0,3]=4 30 B12R2.18 O=C1C(C2=CC=CN=C2N1)=O M10078714P [0,0,0,0,1,0|2,0,1]=4 31 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O M10141381P [0,0,0,0,1,0|0,0,2]=3 32 B12R2.100 OC1=CC2=C(C=C1O)C=CN2 M10051430P [0,0,0,0,1,0|2,0,1]=4 33 B11R1.40 C=CC(NC1=CC=CC=C1)=O M10041239P [1,0,1,0,0,0|1,0,0]=3 34 B11R1.40 C=CC(OC1=CC=CC=C1)=O M10023704P [1,0,1,0,0,0|0,0,0]=2 35 B11R1.40 O=C(OC1=CC=CC=C1)CBr M10016467P [1,0,1,0,0,0|1,0,1]=4 36 B11R1.91 O=C(O)COC1=CC=CC=C1 M10190227P [1,0,1,0,0,0|1,0,1]=4 37 B11R1.91 O=[N+](\C=C\C1=CC=CC=C1)[O-] M10263073P [1,0,1,0,0,0|1,0,1]=4 38 B11R1.17 O=C\C=C\C1=CC=CC=C1C M10615838P [1,0,1,0,0,0|1,0,0]=3 39 B11R1.86 CC(CC1=CC=CC=C1O)=O M12278736P [1,0,1,0,0,0|1,0,1]=4 40 B11R1.86 O=C(Cl)OC1=CC=CC=C1Cl M10160517P [1,0,1,0,0,0|2,0,0]=4 41 B13R1.133 O=C(O)C(CC1=CC=C(O)C=C1)=O M10005776P [0,1,1,0,0,0|0,0,2]=4 42 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(O)=O M10734592P [0,1,1,0,0,0|0,0,2]=4 43 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(O)=O M10741739P [0,1,1,0,0,0|0,0,2]=4 44 B13R2.32 CC1=CC=C2C=CC=CC2=C1C M10014496P [1,1,0,0,0,0|2,0,0]=4 45 B13R2.32 FC1=C2C=CC=CC2=CC=C1Br M10008130P [1,1,0,0,0,0|2,0,0]=4 46 B13R2.32 OC1=CC=C2C=CC=CC2=C1I M10039189P [1,1,0,0,0,0|1,0,0]=3 47 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 M10021537P [1,1,0,0,0,0|2,0,0]=4 48 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 M10208393P [1,1,0,0,0,0|2,0,0]=4 49 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 M10225196P [1,1,0,0,0,0|2,0,0]=4 50 B13R2.57 N#CC1=CC=C2C=CC=CC2=C1 M10016044P [1,1,0,0,0,0|2,0,0]=4 51 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 M10041685P [1,1,0,0,0,0|2,0,0]=4 52 B13R2.57 OCC1=CC2=C(C=C1)C=CN=C2 M10786667P [1,1,0,0,0,0|2,0,0]=4 53 B13R2.155 BrC1=CC2=CC(Br)=CC=C2C=C1 M10301988P [1,1,0,0,0,0|2,0,0]=4 54 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 M10002218P [1,1,0,0,0,0|2,0,0]=4 55 B13R2.155 IC1=CC=C2N=CC(Br)=CC2=C1 M10831586P [1,1,0,0,0,0|2,0,0]=4 56 B13R2.155 NC1=CC=C2C=CC(N)=CC2=C1 M12278715P [1,1,0,0,0,0|2,0,0]=4 57 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)C=N1 M10088508P [1,1,0,0,0,0|2,0,0]=4 58 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)N=C1 M10485764P [1,1,0,0,0,0|2,0,0]=4 59 B13R2.162 BrC1=C2N=C(Br)C=CC2=CC=C1 M11010246P [1,1,0,0,0,0|2,0,0]=4 60 B13R2.162 CC1=C2N=C(C)C=CC2=CC=C1 M10031180P [1,1,0,0,0,0|2,0,0]=4 61 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 M10050381P [1,1,0,0,0,0|2,0,0]=4 62 B13R2.162 ClC1=C2N=C(Cl)C=CC2=CC=C1 M10063680P [1,1,0,0,0,0|2,0,0]=4 63 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 M10792886P [1,1,0,0,0,0|2,0,0]=4 64 B13R2.162 O=C1NC2=C(C=CC=C2Br)C=C1 M10427659P [1,1,0,0,0,0|1,0,0]=3 65 B13R2.162 OC1=C2N=C(N)C=CC2=CC=C1 M10437314P [1,1,0,0,0,0|2,0,0]=4 66 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 M10028965P [1,1,0,0,0,0|2,0,0]=4 67 B13R2.328 FC1=C2C=CC=CC2=CC(Br)=C1 M10126376P [1,1,0,0,0,0|2,0,0]=4 68 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 M10481507P [1,1,0,0,0,0|2,0,0]=4 69 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 M10022470P [1,1,0,0,0,0|2,0,0]=4 70 B13R2.3683 ClC1=CC=2CCC(=O)OC2C=C1 M10234057P [1,1,0,0,0,0|0,0,2]=4 71 B13R2.3683 FC1=CC2=CC=C(Br)C=C2C=C1 M10008285P [1,1,0,0,0,0|2,0,0]=4 72 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 M10107547P [1,1,0,0,0,0|2,0,0]=4 73 B13R2.3683 NC1=CC=C2N=C(C)C=CC2=C1 M10409724P [1,1,0,0,0,0|2,0,0]=4 74 B13R2.3683 OC1=CC=C2N=C(Cl)C=CC2=C1 M10896479P [1,1,0,0,0,0|2,0,0]=4 75 B13R2.3683 SC1=CC=C2C=C(Cl)C=CC2=C1 M10871636P [1,1,0,0,0,0|1,1,0]=4 76 B13R2.5179 NC1=C2C=CC(C)=NC2=CC=C1 M10276461P [1,1,0,0,0,0|2,0,0]=4 77 B13R2.5179 OC1=CC=C2C(Cl)=CC=NC2=C1 M10809398P [1,1,0,0,0,0|2,0,0]=4 78 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N\O M10015697P [0,1,0,0,1,0|1,0,0]=3 79 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O M10167416P [0,1,0,0,1,0|1,0,1]=4 80 B13R2.3085 O=C1N(C)C2=C(C=CC=C2)C1=O M10039584P [0,1,0,0,1,0|1,0,1]=4 81 B13R2.3085 O=C1N(Cl)C(C2=C1C=CC=C2)=O M10054885P [0,1,0,0,1,0|2,0,0]=4 82 B13R2.3085 O=C1N(N)C(C2=C1C=CC=C2)=O M10037416P [0,1,0,0,1,0|2,0,0]=4 83 B13R2.4856 O=C1NC2=C(C(Cl)=CC=C2)C1=O M10090821P [0,1,0,0,1,0|1,0,1]=4 84 B15R2.117 COC1=C(OC)C=C2C=CC=CC2=C1 M10112032P [0,2,0,0,0,0|1,0,1]=4 85 B15R2.1754 N#CC=1C(=O)OC2=C(C1)C=CC(=C2)O M10158954P [0,2,0,0,0,0|1,0,0]=3 86 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O M10310809P [0,0,1,1,0,0|1,1,0]=4 87 B13R2.435 O=C(C1=NC2=CC=CC=C2N1)O M10048286P [0,0,1,1,0,0|2,0,0]=4 88 B11R2.1 CC1=COC2=CC=CC=C12 M10170730P [1,0,0,0,1,0|1,0,0]=3 89 B11R2.1 ClC1=NOC2=CC=CC=C12 M10141722P [1,0,0,0,1,0|2,0,0]=4 90 B11R2.1 NN1C=CC2=C1C=CC=C2 M10270478P [1,0,0,0,1,0|2,0,0]=4 91 B11R2.1 O=C1C2=CC=CC=C2SC1 M10004884P [1,0,0,0,1,0|1,0,1]=4 92 B11R2.1 OC1=CNC2=C1C=CC=C2 M10011825P [1,0,0,0,1,0|1,0,0]=3 93 B11R2.10 BrC1=CC2=CC=CC=C2S1 M10072498P [1,0,0,0,1,0|1,1,0]=4 94 B11R2.10 CC1=CC2=CC=CC=C2O1 M10191752P [1,0,0,0,1,0|1,0,0]=3 95 B11R2.10 CC1=NC2=CC=CC=C2O1 M10002374P [1,0,0,0,1,0|2,0,0]=4 96 B11R2.10 NC1=NC2=CC=CC=C2O1 M10064517P [1,0,0,0,1,0|2,0,0]=4 97 B11R2.10 O=C1NN2C=CC=CC2=C1 M10310770P [1,0,0,0,1,0|2,0,0]=4 98 B11R2.36 OC1=CC2=C(NC=C2)C=C1 M10038351P [1,0,0,0,1,0|2,0,0]=4 99 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C M10044631P [0,0,1,0,0,1|1,0,0]=3 100 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O M10019213P [0,0,1,0,0,1|0,0,2]=4