0 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 M9900 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.30 CNCCC(O)C1=CC=CC=C1 M0082 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.16 CCOC(=O)C1=CC=CN=C1 E0301 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.16 CCOC(=O)C1=CC=CN=C1 E0301 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.16 CCOC(=O)C1=CC=NC=C1 E2195 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.16 CCOC(=O)C1=CN=CN=C1 E15175 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.16 CCOC(=O)C1=NC=NC=C1 E14660 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.16 O=C(CCCl)C1=CC=CC=C1 C4696 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.16 O=C(NCO)C1=CC=CN=C1 H1222 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C7851 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C7852 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.28 C#CC\N=C/C1=CC=CC=C1 B18434 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.28 CCO\C=N\C1=CC=CC=C1 E19308 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [1,0,0,0,0,0|1,1,1]=4 15 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 C5393 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.17 CCCCC(=O)C1=CC=C(O)C=C1 H0724 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 A8219 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 C4781 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.24 CCNCCC(=O)C1=CC=CC=C1 M9617 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 B0903 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 E8121 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.674 CCCCC(=O)C1=CC=CC=C1O H8140 [0,1,0,0,0,0|1,0,0]=2 23 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 P17987 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C17751 [0,0,0,1,0,0|2,0,1]=4 25 B13R2.5252 O=C1CCCNC2=CC=CC=C12 T14406 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.5252 O=C1CCCNC2=CC=CC=C12 T14406 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [2,0,0,0,0,0|0,0,0]=2 28 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.15 COC(=O)C1=CC=CN=C1 M0305 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.15 COC(=O)C1=NC=CC=N1 M12247 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.15 COC(=O)C1=NC=CN=C1 P2313 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.15 NCC(=O)C1=CC=CC=C1 A17693 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.15 O=C(CBr)C1=CC=CC=C1 B17692 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.15 O=C(CBr)C1=CC=CN=C1 B18473 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.17 CCCCC1=CC=CN=C1 B11443 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.17 CCCCC1=NC=CC=C1 B11448 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.17 CNCCC1=CC=CC=C1 M12421 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.17 NCCOC1=CC=CC=C1 P3356 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.17 OCCOC1=CC=CC=C1 P2904 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C3843 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H5061 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 E3211 [1,1,0,0,0,0|0,0,0]=2 50 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 E2355 [1,1,0,0,0,0|0,0,0]=2 51 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 B1320 [1,1,0,0,0,0|0,0,0]=2 52 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 E9097 [1,1,0,0,0,0|0,0,0]=2 53 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 E8424 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 E16002 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 B10064 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 C8188 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 F7574 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B3795 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 D3857 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 E2895 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 E11148 [1,1,0,0,0,0|0,0,0]=2 62 B12R1.17 CCOC(=O)C1=CC=CC(N)=C1 E7671 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.17 CCOC(=O)C1=CC=CC(N)=N1 A14715 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=C1 E17359 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.17 CCOC(=O)C1=CN=CC(N)=C1 A15168 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.17 N#CCC(=O)C1=CC(F)=CC=C1 F7575 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M7621 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 C9220 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 B7666 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 H7637 [1,1,0,0,0,0|0,0,0]=2 71 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 A15138 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 H14849 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 H15787 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl E2715 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.308 CCOC(=O)C1=CC=CN=C1N A14508 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.308 CCOC(=O)C1=CC=NC=C1O E16239 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.308 CCOC(=O)C1=NC=CC=C1N A15062 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B10180 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.1 CCCCCC1=CC=C(O)C=C1 P7653 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.1 CCCCOC1=CC=C(N)C=C1 B7681 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.1 CCCCOC1=CC=C(O)C=C1 B6915 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.8 CCCCNCC1=CC=CC=C1 B7598 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.8 OCCCNCC1=CC=CC=C1 B7682 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.32 CCCC(=O)OC1=CC=CC=C1 P7639 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.158 OCCCNC(=S)NC1=CC=CC=C1 H9462 [0,1,0,0,0,1|1,1,0]=4 86 B14R1.423 CC(O)CNC(=S)NC1=CC=CC=C1 H9463 [0,1,0,0,0,1|1,1,0]=4 87 B14R1.19 CCCCCC(=O)C1=CC=C(O)C=C1 H8698 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 E9575 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.125 CC1=CC=C(S(=O)(=O)OCCF)C=C1 F3381 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.125 CC1=CC=C(S(=O)(=O)OCCF)C=C1 F3381 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.926 CCCCC(=O)C1=CC=C(OC)C=C1 M8696 [0,2,0,0,0,0|1,0,0]=3 92 B14R1.926 COC1=CC=C(C(=O)CCCCl)C=C1 C9578 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.941 CC1=CC=C(C(=O)OCCCl)C=C1N A9616 [0,2,0,0,0,0|1,0,0]=3 94 B14R1.2523 CCCCC(=O)C1=CC=C(Cl)C=C1Cl D6203 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.36 CCOC(=O)C(=O)C1=CC(Cl)=CC=C1 E9576 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.36 CCOC(=O)C(=O)C1=CC=CC(F)=C1 E8841 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.918 O=C(NCCO)C1=CC(O)=CC=C1O D11467 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 B1863 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 B8679 [0,2,0,0,0,0|1,0,1]=4 100 B14R1.1035 CCCCOC(=O)C1=C(N)C=CC=C1 B1299 [0,2,0,0,0,0|0,0,0]=2 101 B14R1.478 CCCC(C#N)C(=O)C1=CC=CC=C1 B8487 [0,2,0,0,0,0|1,0,0]=3 102 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 P14087 [1,0,0,1,0,0|1,0,0]=3 103 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [1,0,0,1,0,0|1,0,1]=4 104 B12R2.1081 O=C1CCCC2=C1C=CC=N2 T13200 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D19323 [1,0,0,1,0,0|1,0,0]=3 106 B12R2.1081 O=C1CCCC2=C1N=CC=C2 D11093 [1,0,0,1,0,0|1,0,0]=3 107 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 P16660 [1,0,0,1,0,0|1,0,1]=4 108 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 B9580 [1,0,0,1,0,0|1,0,0]=3 109 B12R2.41 C1=CC=C2NCCCCC2=C1 T15203 [1,0,0,1,0,0|2,0,0]=4 110 B14R2.24 O=C1CNCCN1C2=CC=CC=C2 P12468 [0,0,0,1,0,1|2,0,0]=4 111 B14R2.24 O=C1NCCCN1C2=CC=CC=C2 P13507 [0,0,0,1,0,1|1,0,0]=3 112 B14R2.67 CCCCC1=CC2=C(C=CC=C2)O1 B7999 [0,0,0,1,0,1|1,0,1]=4 113 B14R2.8719 O=C1CCCNC2=CC(Cl)=CC=C12 C14309 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.8719 O=C1NCCCC2=CC(O)=CC=C12 H14361 [0,1,0,1,0,0|1,0,0]=3 115 B14R2.685 NC1=C2NCCNC(=O)C2=CC=C1 A1474 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.403 CC1(C)COC(C2=CN=CC=C2)=N1 D8071 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 D17959 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.11 CCCC(=O)C1=CC=CS1 T16407 [1,0,0,0,1,0|1,0,0]=3 119 B10R1.11 CCOC(=O)C1=CC=CN1 E4104 [1,0,0,0,1,0|1,0,0]=3 120 B10R1.11 CCOC(=O)C1=CC=CS1 E7422 [1,0,0,0,1,0|1,0,0]=3 121 B10R1.11 CCOC(=O)C1=CNC=N1 E12833 [1,0,0,0,1,0|2,0,0]=4 122 B10R1.11 CCOC(=O)C1=CNC=N1 E12833 [1,0,0,0,1,0|2,0,0]=4 123 B10R1.11 CCOC(=O)C1=CSC=N1 E15150 [1,0,0,0,1,0|2,0,0]=4