0 B18R2.7189 NC(=NOCC1=CC=CC=C1)C2=CC=CC=C2 CNP0037248.0 [0,0,0,0,0,0|3,0,0]=3 1 B18R2.7189 O=C(C=CNC1=CC=CC=C1)C2=CC=CC=C2 CNP0055957.0 [0,0,0,0,0,0|2,0,1]=3 2 B18R2.7189 O=C(NCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0168016.0 [0,0,0,0,0,0|1,0,0]=1 3 B18R2.7189 O=C(NOCC1=CC=CC=C1)C2=CC=CC=C2 CNP0071190.0 [0,0,0,0,0,0|2,0,0]=2 4 B18R2.7189 O=C(OCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0174611.0 [0,0,0,0,0,0|0,0,0]=0 5 B18R2.7189 OC(CNCC1=CC=CC=C1)C2=CC=CC=C2 CNP0071077.0 [0,0,0,0,0,0|2,0,2]=4 6 B18R2.7189 O[C@@H](CCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0051430.2 [0,0,0,0,0,0|1,0,2]=3 7 B18R2.7189 O[C@H](CCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0051430.1 [0,0,0,0,0,0|1,0,2]=3 8 B17R2.2382 C(=CC1=CC=CC=C1)C=CC2=CC=CC=C2 CNP0390064.0 [1,0,0,0,0,0|1,0,2]=4 9 B17R2.2382 C(=NCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0519795.0 [1,0,0,0,0,0|1,0,0]=2 10 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=CC=C2 CNP0503795.0 [1,0,0,0,0,0|1,0,1]=3 11 B17R2.2382 C1=CC=C(C=C1)CSSCC2=CC=CC=C2 CNP0296208.0 [1,0,0,0,0,0|1,1,1]=4 12 B17R2.2382 C1=CC=C(C=C1)NCCNC2=CC=CC=C2 CNP0041084.0 [1,0,0,0,0,0|3,0,0]=4 13 B19R2.4201 CC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 CNP0598214.0 [0,1,0,0,0,0|1,0,0]=2 14 B19R2.4201 CC1=CC=C(C=C1)C(=O)NCCC2=CC=NC=C2 CNP0505789.0 [0,1,0,0,0,0|2,0,0]=3 15 B19R2.4201 O=C(NCCC1=CC=CC=C1)C2=CC=C(C=C2)Cl CNP0594626.0 [0,1,0,0,0,0|1,0,0]=2 16 B19R2.4201 O=C(NNCC1=CC=CC=C1)C2=CC=C(C=C2)Br CNP0464224.0 [0,1,0,0,0,0|2,0,0]=3 17 B19R2.4394 CC1=CC=CC(=C1)C(=O)NCCC2=CC=CC=C2 CNP0563325.0 [0,1,0,0,0,0|1,0,0]=2 18 B19R2.4394 O=C(NCCC1=CC=CC=C1)C2=CC=CC(=C2)Cl CNP0516564.0 [0,1,0,0,0,0|1,0,0]=2 19 B19R2.4394 O=C(NCCC1=CC=CC=C1)C2=CC=CC(=C2)I CNP0505482.0 [0,1,0,0,0,0|1,0,0]=2 20 B19R2.4481 O=C(NCCC1=CC=CC=C1O)C2=CC=CC=C2 CNP0536130.0 [0,1,0,0,0,0|1,0,0]=2 21 B19R2.5666 NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2 CNP0528678.0 [0,1,0,0,0,0|1,0,0]=2 22 B19R2.5666 NC1=CC=CC=C1C(=O)OCCC2=CC=CC=C2 CNP0071222.0 [0,1,0,0,0,0|0,0,0]=1 23 B19R2.5666 O=C(NCCC1=CC=CC=C1)C2=CC=CC=C2Cl CNP0583398.0 [0,1,0,0,0,0|1,0,0]=2 24 B19R2.5666 O=C(NCCC1=CC=CC=C1)C2=CC=CC=C2I CNP0563123.0 [0,1,0,0,0,0|1,0,0]=2 25 B19R2.5666 O=C(OCCC1=CC=CC=C1)C2=CC=CC=C2O CNP0175615.0 [0,1,0,0,0,0|0,0,0]=1 26 B19R2.8898 CC(NNC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0574540.0 [0,1,0,0,0,0|2,0,0]=3 27 B19R2.8898 O=C(C#CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0102829.0 [0,1,0,0,0,0|1,0,2]=4 28 B19R2.8898 O=C(C=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0473559.0 [0,1,0,0,0,0|1,0,2]=4 29 B19R2.8898 O=C(CCC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0063028.0 [0,1,0,0,0,0|1,0,1]=3 30 B19R2.8898 O=C(CC[C@@H](O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0157373.2 [0,1,0,0,0,0|1,0,0]=2 31 B19R2.8898 O=C(CC[C@H](O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0157373.1 [0,1,0,0,0,0|1,0,0]=2 32 B19R2.8898 O=C(CNC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0117825.0 [0,1,0,0,0,0|1,0,1]=3 33 B19R2.8898 O=C(COC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0064696.0 [0,1,0,0,0,0|0,0,1]=2 34 B19R2.8898 O=C(N=NC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0056572.0 [0,1,0,0,0,0|2,0,1]=4 35 B19R2.8898 O=C(NCC(O)C1=CC=CC=C1)C2=CC=CN=C2 CNP0283337.0 [0,1,0,0,0,0|2,0,0]=3 36 B19R2.8898 O=C(NC[C@@H](O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0105790.1 [0,1,0,0,0,0|1,0,0]=2 37 B19R2.8898 O=C(NC[C@@H](O)C1=CC=CC=C1)C2=CC=CN=C2 CNP0283337.1 [0,1,0,0,0,0|2,0,0]=3 38 B19R2.8898 O=C(NC[C@H](O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0105790.2 [0,1,0,0,0,0|1,0,0]=2 39 B19R2.8898 O=C(OC[C@H](O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0108802.1 [0,1,0,0,0,0|0,0,0]=1 40 B19R2.8898 O=C(OOC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0090822.0 [0,1,0,0,0,0|1,0,1]=3 41 B19R2.8929 C[C@@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 CNP0025448.1 [0,1,0,0,0,0|1,0,0]=2 42 B19R2.8929 C[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 CNP0025448.2 [0,1,0,0,0,0|1,0,0]=2 43 B19R2.8929 C[C@H](CC1=CC=CC=C1)N[C@@H](C)C2=CC=CC=C2 CNP0424219.1 [0,1,0,0,0,0|2,0,1]=4 44 B19R2.11850 CC1=CC=C(C=C1)NC=CC(=O)C2=CC=CC=C2 CNP0309170.0 [0,1,0,0,0,0|2,0,1]=4 45 B19R2.11850 O=C(C=CNC1=CC=C(C=C1)Br)C2=CC=CC=C2 CNP0320126.0 [0,1,0,0,0,0|2,0,1]=4 46 B19R2.11850 O=C(C=CNC1=CC=C(C=C1)Cl)C2=CC=CC=C2 CNP0047275.0 [0,1,0,0,0,0|2,0,1]=4 47 B19R2.11850 O=C(NC=CC1=CC=C(C=C1)O)C2=CC=CC=C2 CNP0136129.0 [0,1,0,0,0,0|1,0,2]=4 48 B19R2.11850 O=C(NCCC1=CC=C(C=C1)O)C2=CC=CC=C2 CNP0505500.0 [0,1,0,0,0,0|1,0,0]=2 49 B19R2.11850 O=C(NCCC1=CC=C(C=C1)O)C2=CC=CN=C2 CNP0117219.0 [0,1,0,0,0,0|2,0,0]=3 50 B19R2.16158 CC(=CNC1=CC=CC=C1)C(=O)C2=CC=CC=C2 CNP0025360.0 [0,1,0,0,0,0|2,0,1]=4 51 B19R2.49526 C[C@@](O)(CCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0065319.2 [0,1,0,0,0,0|1,0,2]=4 52 B19R2.49526 C[C@](O)(CCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0065319.1 [0,1,0,0,0,0|1,0,2]=4 53 B17R1.7823 O=CC=CC=CC(=O)NCCC1=CC=CC=C1 CNP0114149.0 [0,0,1,0,0,0|2,0,0]=3 54 B19R3.27 C1=C(N=N[C@@H]1C2=CC=CC=C2)C3=CC=CC=C3 CNP0456528.2 [0,0,0,1,0,0|3,0,0]=4 55 B19R3.27 C1=C(N=N[C@H]1C2=CC=CC=C2)C3=CC=CC=C3 CNP0456528.1 [0,0,0,1,0,0|3,0,0]=4 56 B19R3.27 C1=C(N=[NH+][C@@H]1C2=CC=CC=C2)C3=CC=CC=C3 CNP0508037.1 [0,0,0,1,0,0|3,0,0]=4 57 B19R3.27 C1=C(N=[NH+][C@H]1C2=CC=CC=C2)C3=CC=CC=C3 CNP0508037.2 [0,0,0,1,0,0|3,0,0]=4 58 B19R3.27 C1=CC=C(C=C1)C2=NC[C@@H](C2)C3=CC=CC=C3 CNP0098339.2 [0,0,0,1,0,0|2,0,0]=3 59 B19R3.27 C1=CC=C(C=C1)C2=NC[C@H](C2)C3=CC=CC=C3 CNP0098339.1 [0,0,0,1,0,0|2,0,0]=3 60 B19R3.27 C1=CC=C(C=C1)C2=NC[C@H](O2)C3=CC=CC=C3 CNP0178113.1 [0,0,0,1,0,0|1,0,1]=3 61 B19R3.27 C1=CC=C(C=C1)C2=NO[C@@H](C2)C3=CC=CC=C3 CNP0050699.1 [0,0,0,1,0,0|3,0,0]=4 62 B19R3.27 C1=CC=C(C=C1)C2=NO[C@H](C2)C3=CC=CC=C3 CNP0050699.2 [0,0,0,1,0,0|3,0,0]=4 63 B19R3.27 C1=CC=C(C=C1)[C@@H]2CN[C@@H](C2)C3=CC=CC=C3 CNP0047421.3 [0,0,0,1,0,0|2,0,1]=4 64 B19R3.27 C1=CC=C(C=C1)[C@@H]2CN[C@H](C2)C3=CC=CC=C3 CNP0047421.2 [0,0,0,1,0,0|2,0,1]=4 65 B19R3.27 C1=CC=C(C=C1)[C@@H]2CO[C@@H](C2)C3=CC=CC=C3 CNP0278560.1 [0,0,0,1,0,0|1,0,1]=3 66 B19R3.27 C1=CC=C(C=C1)[C@@H]2CO[C@H](C2)C3=CC=CC=C3 CNP0278560.4 [0,0,0,1,0,0|1,0,1]=3 67 B19R3.27 C1=CC=C(C=C1)[C@H]2CN[C@@H](C2)C3=CC=CC=C3 CNP0047421.4 [0,0,0,1,0,0|2,0,1]=4 68 B19R3.27 C1=CC=C(C=C1)[C@H]2CN[C@H](C2)C3=CC=CC=C3 CNP0047421.1 [0,0,0,1,0,0|2,0,1]=4 69 B19R3.27 C1=CC=C(C=C1)[C@H]2CO[C@@H](C2)C3=CC=CC=C3 CNP0278560.2 [0,0,0,1,0,0|1,0,1]=3 70 B19R3.27 C1=CC=C(C=C1)[C@H]2CO[C@H](C2)C3=CC=CC=C3 CNP0278560.3 [0,0,0,1,0,0|1,0,1]=3 71 B19R3.2487 O=C(C1=CC=CC=C1)C2=CNC3=CC=CC=C23 CNP0551380.0 [0,0,0,1,0,0|2,0,1]=4 72 B19R3.2487 O=C(C1=CC=CC=C1)N2C=CC3=CC=CC=C23 CNP0360495.0 [0,0,0,1,0,0|1,0,2]=4 73 B19R3.2487 O=C(C1=CC=CC=C1)N2N=NC3=CC=CC=C23 CNP0469299.0 [0,0,0,1,0,0|3,0,0]=4 74 B19R3.9008 O=C1CCN(C2=CC=CC=C12)C3=CC=CC=C3 CNP0241328.0 [0,0,0,1,0,0|2,0,0]=3 75 B19R3.9008 O=C1CC[C@@H](C2=CC=CC=C12)C3=CC=CC=C3 CNP0045748.1 [0,0,0,1,0,0|1,0,0]=2 76 B19R3.9008 O=C1CC[C@H](C2=CC=CC=C12)C3=CC=CC=C3 CNP0045748.2 [0,0,0,1,0,0|1,0,0]=2 77 B19R3.9008 O=C1N=CN(C2=CC=CC=C12)C3=CC=CC=C3 CNP0219916.0 [0,0,0,1,0,0|2,0,1]=4 78 B19R3.17443 O=C1OC(=CC2=CC=CC=C2)C3=CC=CC=C13 CNP0597906.0 [0,0,0,1,0,0|0,0,2]=3 79 B19R3.17443 O=C1O[C@@H](C2=CC=CC=C12)SC3=CC=CC=C3 CNP0048873.2 [0,0,0,1,0,0|1,0,0]=2 80 B19R3.17443 O=C1O[C@H](C2=CC=CC=C12)SC3=CC=CC=C3 CNP0048873.1 [0,0,0,1,0,0|1,0,0]=2 81 B19R3.202197 O=C(C=C1CC2=CC=CC=C12)C3=CC=CC=C3 CNP0281446.0 [0,0,0,1,0,0|1,0,1]=3 82 B19R3.202197 O=C(N[C@@H]1CC2=CC=CC=C12)C3=CC=CC=C3 CNP0026084.1 [0,0,0,1,0,0|1,0,0]=2 83 B19R3.202197 O=C(N[C@H]1CC2=CC=CC=C12)C3=CC=CC=C3 CNP0026084.2 [0,0,0,1,0,0|1,0,0]=2 84 B17R2.2342 BrC(=NNC1=CC=CC=C1)C2=CC=CC=C2 CNP0186503.0 [0,0,0,0,1,0|3,0,0]=4 85 B17R2.2342 C=C(CCC1=CC=CC=C1)C2=CC=CC=C2 CNP0355629.0 [0,0,0,0,1,0|1,0,0]=2 86 B17R2.2342 N=C(NCC1=CC=CC=C1)C2=CC=CC=C2 CNP0464680.0 [0,0,0,0,1,0|2,0,0]=3 87 B17R2.2342 O=C(C=CC1=CC=CC=C1)C2=CC=CC=C2 CNP0130067.0 [0,0,0,0,1,0|0,0,2]=3 88 B17R2.2342 O=C(CCC1=CC=CC=C1)C2=CC=CC=C2 CNP0110063.0 [0,0,0,0,1,0|0,0,0]=1 89 B17R2.2342 O=C(COC1=CC=CC=C1)C2=CC=CC=C2 CNP0144344.0 [0,0,0,0,1,0|1,0,0]=2 90 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 CNP0158676.0 [0,0,0,0,1,0|1,0,0]=2 91 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CN=C2 CNP0205407.0 [0,0,0,0,1,0|2,0,0]=3 92 B17R2.2342 O=C(NNC1=CC=CC=C1)C2=CC=CC=C2 CNP0062407.0 [0,0,0,0,1,0|2,0,0]=3 93 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2 CNP0203743.0 [0,0,0,0,1,0|0,0,0]=1 94 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CC=CN=C2 CNP0104003.0 [0,0,0,0,1,0|1,0,0]=2 95 B17R2.2342 O[C@H](CCC1=CC=CC=C1)C2=CC=CC=C2 CNP0130502.1 [0,0,0,0,1,0|0,0,2]=3 96 B17R2.5714 O=C(NCCC1=CC=CC=C1)C2=CC=CO2 CNP0061602.0 [0,0,0,0,1,0|2,0,0]=3 97 B17R2.5714 O=C(OCCC1=CC=CC=C1)C2=CC=CO2 CNP0022222.0 [0,0,0,0,1,0|1,0,0]=2 98 B17R2.45544 O=C(NCCC1=CN=CN1)C2=CC=CC=C2 CNP0497320.0 [0,0,0,0,1,0|3,0,0]=4 99 B19R2.8899 O=C(C=CCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0124981.0 [0,0,0,0,0,1|1,0,0]=2 100 B19R2.8899 O=C(C=CNCC1=CC=CC=C1)C2=CC=CC=C2 CNP0049964.0 [0,0,0,0,0,1|1,0,1]=3 101 B19R2.8899 O=C(CCCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0359822.0 [0,0,0,0,0,1|1,0,0]=2 102 B19R2.8899 O=C(NCSCC1=CC=CC=C1)C2=CC=CC=C2 CNP0364852.0 [0,0,0,0,0,1|1,0,0]=2 103 B19R2.8899 O=C(OCC=CC1=CC=CC=C1)C2=CC=CC=C2 CNP0364935.0 [0,0,0,0,0,1|0,0,1]=2 104 B19R2.8900 O=C(CC1=CC=CC=C1)OC=CC2=CC=CC=C2 CNP0209291.0 [0,0,0,0,0,1|0,0,2]=3 105 B19R2.8900 O=C(CC1=CC=CC=C1)OCCC2=CC=CC=C2 CNP0185180.0 [0,0,0,0,0,1|0,0,0]=1 106 B18R2.270 OC1=CC=C(C=C1)C=NCCC2=CC=CC=C2 CNP0553920.0 [1,1,0,0,0,0|1,0,0]=3 107 B18R2.2429 O=C(CC1=CC=CC=C1)OCC2=CC=CC=C2 CNP0071168.0 [1,1,0,0,0,0|0,0,2]=4 108 B18R2.2429 O=C(CCC1=CC=CC=C1)NC2=CC=CC=C2 CNP0071049.0 [1,1,0,0,0,0|2,0,0]=4 109 B18R2.253 CC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2 CNP0028674.0 [0,1,0,0,1,0|0,0,2]=4 110 B18R2.253 O=C(C=CC1=CC=CC=C1)C2=CC=C(C=C2)Br CNP0027822.0 [0,1,0,0,1,0|0,0,2]=4 111 B18R2.253 O=C(C=CC1=CC=CC=C1)C2=CC=C(C=C2)Cl CNP0026470.0 [0,1,0,0,1,0|0,0,2]=4 112 B18R2.253 O=C(C=CC1=CC=CC=C1)C2=CC=C(C=C2)O CNP0138832.0 [0,1,0,0,1,0|0,0,2]=4 113 B18R2.253 O=C(OCC1=CC=CC=C1)C2=CC=C(C=C2)O CNP0263923.0 [0,1,0,0,1,0|0,0,0]=2 114 B18R2.257 CC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2 CNP0592086.0 [0,1,0,0,1,0|0,0,2]=4 115 B18R2.257 CC1=CC=C(C=C1)NNC(=O)C2=CC=CC=C2 CNP0412343.0 [0,1,0,0,1,0|2,0,0]=4 116 B18R2.257 NC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2 CNP0094806.0 [0,1,0,0,1,0|0,0,2]=4 117 B18R2.257 O=C(C=CC1=CC=C(C=C1)Cl)C2=CC=CC=C2 CNP0058589.0 [0,1,0,0,1,0|0,0,2]=4 118 B18R2.257 O=C(C=CC1=CC=C(C=C1)O)C2=CC=CC=C2 CNP0212510.0 [0,1,0,0,1,0|0,0,2]=4 119 B18R2.257 O=C(CCC1=CC=C(C=C1)O)C2=CC=CC=C2 CNP0358807.0 [0,1,0,0,1,0|0,0,0]=2 120 B18R2.3606 O=CC(=CCC1=CC=CC=C1)C2=CC=CC=C2 CNP0313610.0 [0,1,0,0,1,0|0,0,1]=3 121 B18R2.3606 O=CC(=CNC1=CC=CC=C1)C2=CC=CC=C2 CNP0240854.0 [0,1,0,0,1,0|1,0,1]=4 122 B18R2.3606 O=CC(=COC1=CC=CC=C1)C2=CC=CC=C2 CNP0460870.0 [0,1,0,0,1,0|1,0,1]=4 123 B18R2.3606 ON=C(CCC1=CC=CC=C1)C2=CC=CC=C2 CNP0268968.0 [0,1,0,0,1,0|0,0,1]=3 124 B18R2.3634 CC(=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0611668.0 [0,1,0,0,1,0|0,0,2]=4 125 B18R2.3634 CC(OC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0213435.0 [0,1,0,0,1,0|0,0,0]=2 126 B18R2.3634 C[C@@H](NC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0027324.1 [0,1,0,0,1,0|1,0,0]=3 127 B18R2.3634 NC(=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0249827.0 [0,1,0,0,1,0|0,0,2]=4 128 B18R2.3634 O=C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0180871.0 [0,1,0,0,1,0|0,0,1]=3 129 B18R2.3634 O=C(OC(=O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0123116.0 [0,1,0,0,1,0|0,0,1]=3 130 B18R2.3634 O[C@@H](C[C@H](O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0247182.2 [0,1,0,0,1,0|0,0,2]=4 131 B18R2.3634 O[C@H](C[C@H](O)C1=CC=CC=C1)C2=CC=CC=C2 CNP0247182.1 [0,1,0,0,1,0|0,0,2]=4 132 B18R2.3990 CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2 CNP0136861.0 [0,1,0,0,1,0|1,0,0]=3 133 B18R2.3990 CC1=CC=NC=C1CNC(=O)C2=CC=CC=C2 CNP0094395.0 [0,1,0,0,1,0|2,0,0]=4 134 B18R2.3990 NC1=CC=CC=C1C#CC(=O)C2=CC=CC=C2 CNP0499109.0 [0,1,0,0,1,0|0,0,2]=4 135 B18R2.3990 O=C(C=CC1=CC=CC=C1O)C2=CC=CC=C2 CNP0101435.0 [0,1,0,0,1,0|0,0,2]=4 136 B18R2.3990 O=C(OCC1=CC=CC=C1O)C2=CC=CC=C2 CNP0581293.0 [0,1,0,0,1,0|0,0,0]=2 137 B18R2.4001 NC1=CC=CC=C1C(=O)OCC2=CC=CC=C2 CNP0421692.0 [0,1,0,0,1,0|0,0,0]=2 138 B18R2.4001 O=C(C=CC1=CC=CC=C1)C2=CC=CC=C2O CNP0264519.0 [0,1,0,0,1,0|0,0,2]=4 139 B18R2.4001 O=C(CCC1=CC=CC=C1)C2=CC=CC=C2O CNP0293764.0 [0,1,0,0,1,0|0,0,0]=2 140 B18R2.4001 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2O CNP0174634.0 [0,1,0,0,1,0|0,0,0]=2 141 B18R2.6463 CC1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2 CNP0502979.0 [0,1,0,0,1,0|0,0,0]=2 142 B18R2.6463 O=C(OCC1=CC=CC=C1)C2=CC=CC(=C2)O CNP0240782.0 [0,1,0,0,1,0|0,0,0]=2 143 B18R2.6467 NC1=CC=CC(=C1)C=CC(=O)C2=CC=CC=C2 CNP0037952.0 [0,1,0,0,1,0|0,0,2]=4 144 B18R2.6467 NC1=CC=CC(=C1)NCC(=O)C2=CC=CC=C2 CNP0025239.0 [0,1,0,0,1,0|1,0,0]=3 145 B18R2.6467 O=C(C=CC1=CC=CC(=C1)Cl)C2=CC=CC=C2 CNP0557370.0 [0,1,0,0,1,0|0,0,2]=4 146 B18R2.7204 O=C(C(=S)NC1=CC=CC=C1)C2=CC=CC=C2 CNP0062120.0 [0,1,0,0,1,0|1,0,1]=4 147 B18R2.7204 O=C(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2 CNP0296002.0 [0,1,0,0,1,0|0,0,1]=3 148 B18R2.7204 O[C@H](C1=CC=CC=C1)[C@@H](O)CC2=CC=CC=C2 CNP0246429.1 [0,1,0,0,1,0|0,0,2]=4 149 B18R2.4088 O=C1C=CCC1=CCOC(=O)C2=CC=CC=C2 CNP0326239.0 [0,1,0,0,1,0|0,0,2]=4 150 B20R2.8343 NC1=CC=CC=C1C(=O)OCC=CC2=CC=CC=C2 CNP0140089.0 [0,1,0,0,0,1|0,0,1]=3 151 B20R2.15240 O=C(OCC=CC1=CC=C(C=C1)O)C2=CC=CC=C2 CNP0375987.0 [0,1,0,0,0,1|0,0,1]=3 152 B20R2.15240 O=C(OCCCC1=CC=C(C=C1)O)C2=CC=CC=C2 CNP0296564.0 [0,1,0,0,0,1|0,0,0]=2 153 B20R2.16036 CC1=CC=C(C=C1)C(=O)NCCOC2=CC=CC=C2 CNP0583443.0 [0,1,0,0,0,1|1,0,0]=3 154 B20R2.16036 O=C(C=CCCC1=CC=CC=C1)C2=CC=C(C=C2)O CNP0285840.0 [0,1,0,0,0,1|1,0,0]=3 155 B20R2.16036 O=C(CCCCC1=CC=CC=C1)C2=CC=C(C=C2)O CNP0194328.0 [0,1,0,0,0,1|1,0,0]=3 156 B20R2.21596 CC(=CC(=O)C1=CC=CC=C1)NCC2=CC=CC=C2 CNP0042892.0 [0,1,0,0,0,1|1,0,1]=4 157 B20R2.21596 O=C(C[C@@H](O)CCC1=CC=CC=C1)C2=CC=CC=C2 CNP0341468.1 [0,1,0,0,0,1|1,0,0]=3 158 B20R2.21596 O=C(C[C@H](O)CCC1=CC=CC=C1)C2=CC=CC=C2 CNP0341468.2 [0,1,0,0,0,1|1,0,0]=3 159 B20R2.174731 CC(=CNCC1=CC=CC=C1)C(=O)C2=CC=CC=C2 CNP0140310.0 [0,1,0,0,0,1|1,0,1]=4 160 B20R2.174731 O=C(C1=CC=CC=C1)C(O)CCCC2=CC=CC=C2 CNP0144080.0 [0,1,0,0,0,1|1,0,0]=3 161 B20R2.10847 O=C(CC1=CC=CC=C1)OC(=O)CC2=CC=CC=C2 CNP0127335.0 [0,1,0,0,0,1|0,0,1]=3 162 B20R2.15229 O=C(CC1=CC=CC=C1)OCCC2=CC=C(C=C2)O CNP0162027.0 [0,1,0,0,0,1|0,0,0]=2 163 B20R2.15829 O=C(CC1=CC=C(C=C1)Br)NCCC2=CC=CC=C2 CNP0488189.0 [0,1,0,0,0,1|1,0,0]=3 164 B20R2.2160 O=C(CCC1=CC=CC=C1)C(=NO)C2=CC=CC=C2 CNP0070629.0 [0,2,0,0,0,0|1,0,1]=4 165 B20R2.170880 O=C(O)[C@@H](CCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0440931.1 [0,2,0,0,0,0|1,0,1]=4 166 B20R2.170880 O=C(O)[C@H](CCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0440931.2 [0,2,0,0,0,0|1,0,1]=4 167 B20R2.130 COC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 CNP0130028.0 [0,2,0,0,0,0|1,0,0]=3 168 B20R2.15224 O=C(NCCC1=CC=C(C=C1)O)C2=CC=C(C=C2)O CNP0574949.0 [0,2,0,0,0,0|1,0,0]=3 169 B20R2.15243 CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2 CNP0088537.0 [0,2,0,0,0,0|0,0,1]=3 170 B20R2.15243 O=C(COC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2 CNP0039205.0 [0,2,0,0,0,0|0,0,1]=3 171 B20R2.15243 O=C(COC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Br CNP0038425.0 [0,2,0,0,0,0|0,0,1]=3 172 B20R2.15243 O=C(COC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Cl CNP0212159.0 [0,2,0,0,0,0|0,0,1]=3 173 B20R2.15243 O=C(COC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)I CNP0036991.0 [0,2,0,0,0,0|0,0,1]=3 174 B20R2.15526 CC1=CC=C(C=C1C)C(=O)NCCC2=CC=CC=C2 CNP0599137.0 [0,2,0,0,0,0|1,0,0]=3 175 B20R2.15526 O=C(NCCC1=CC=CC=C1)C2=CC=C(C(=C2)Cl)Cl CNP0525491.0 [0,2,0,0,0,0|1,0,0]=3 176 B20R2.15707 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2 CNP0039480.0 [0,2,0,0,0,0|2,0,0]=4 177 B20R2.18233 CNC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2 CNP0262744.0 [0,2,0,0,0,0|1,0,0]=3 178 B20R2.235908 O=C(NCCC1=CC=C(C=C1)O)C2=CC=CC=C2O CNP0125065.0 [0,2,0,0,0,0|1,0,0]=3 179 B20R2.29394 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2 CNP0158755.1 [0,2,0,0,0,0|1,0,1]=4 180 B20R2.29394 C[C@@H](NC(=O)C1=CC=CC=C1)[C@@H](O)C2=CC=CC=C2 CNP0506217.2 [0,2,0,0,0,0|1,0,0]=3 181 B20R2.29394 C[C@@H](NC(=O)C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 CNP0506217.1 [0,2,0,0,0,0|1,0,0]=3 182 B20R2.29394 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2 CNP0158755.2 [0,2,0,0,0,0|1,0,1]=4 183 B20R2.29394 C[C@H](NC(=O)C1=CC=CC=C1)[C@@H](O)C2=CC=CC=C2 CNP0506217.3 [0,2,0,0,0,0|1,0,0]=3 184 B20R2.29394 C[C@H](NC(=O)C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 CNP0506217.4 [0,2,0,0,0,0|1,0,0]=3 185 B20R2.12415 CC[C@@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 CNP0325925.1 [0,2,0,0,0,0|1,0,0]=3 186 B20R2.12415 CC[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 CNP0325925.2 [0,2,0,0,0,0|1,0,0]=3 187 B20R2.12415 O=C(N[C@@H](CO)CC1=CC=CC=C1)C2=CC=CC=C2 CNP0414074.2 [0,2,0,0,0,0|1,0,0]=3 188 B20R2.12415 O=C(N[C@H](CO)CC1=CC=CC=C1)C2=CC=CC=C2 CNP0414074.1 [0,2,0,0,0,0|1,0,0]=3 189 B20R2.91 COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2 CNP0289964.0 [0,2,0,0,0,0|1,0,0]=3 190 B20R2.91 COC1=CC=C(C=C1)CCNC(=O)C2=CC=CN=C2 CNP0139944.0 [0,2,0,0,0,0|2,0,0]=4 191 B18R3.2098 C1=CC=C(C=C1)CN2C=CC3=CC=CC=C23 CNP0035061.0 [1,0,0,1,0,0|2,0,0]=4 192 B18R3.2099 C1=CC=C(C=C1)C2CCC2C3=CC=CC=C3 CNP0048430.0 [1,0,0,1,0,0|1,0,1]=4 193 B18R3.2109 C1=CC=C(C=C1)C2=NN(C2)C3=CC=CC=C3 CNP0059934.0 [0,0,0,1,1,0|2,0,0]=4 194 B18R3.2123 C1=C(COC2=CC=CC=C21)C3=CC=CC=C3 CNP0610567.0 [0,0,0,1,1,0|2,0,0]=4 195 B18R3.2123 C1=CC=C(C=C1)[C@@H]2CCC3=CC=CC=C3C2 CNP0069600.2 [0,0,0,1,1,0|1,0,1]=4 196 B18R3.2123 C1=CC=C(C=C1)[C@@H]2CCC3=CC=CC=C3O2 CNP0338521.1 [0,0,0,1,1,0|0,0,2]=4 197 B18R3.2123 C1=CC=C(C=C1)[C@H]2CCC3=CC=CC=C3C2 CNP0069600.1 [0,0,0,1,1,0|1,0,1]=4 198 B18R3.11551 CC1=C[C@@H](C2=CC=CC=C12)C3=CC=CC=C3 CNP0061005.1 [0,0,0,1,1,0|1,0,1]=4 199 B18R3.11551 CC1=C[C@H](C2=CC=CC=C12)C3=CC=CC=C3 CNP0061005.2 [0,0,0,1,1,0|1,0,1]=4 200 B18R3.11551 ClC1=C[C@@H](C2=CC=CC=C12)C3=CC=CC=C3 CNP0060582.2 [0,0,0,1,1,0|1,0,1]=4 201 B18R3.11551 ClC1=C[C@H](C2=CC=CC=C12)C3=CC=CC=C3 CNP0060582.1 [0,0,0,1,1,0|1,0,1]=4 202 B18R3.11551 O=C1C=C(C2=CC=CC=C12)C3=CC=CC=C3 CNP0465204.0 [0,0,0,1,1,0|0,0,2]=4 203 B18R3.11551 O=C1C[C@@H](C2=CC=CC=C12)C3=CC=CC=C3 CNP0065882.1 [0,0,0,1,1,0|0,0,0]=2 204 B18R3.11551 O=C1C[C@H](C2=CC=CC=C12)C3=CC=CC=C3 CNP0065882.2 [0,0,0,1,1,0|0,0,0]=2 205 B18R3.11551 O=C1O[C@@H](C2=CC=CC=C12)C3=CC=CC=C3 CNP0407246.1 [0,0,0,1,1,0|0,0,0]=2 206 B18R3.11551 O=C1O[C@H](C2=CC=CC=C12)C3=CC=CC=C3 CNP0407246.2 [0,0,0,1,1,0|0,0,0]=2 207 B18R3.112707 O=C1C=CC2=CC=CC=C2C3=CC=CC=C13 CNP0472610.0 [0,0,0,1,1,0|0,0,2]=4 208 B20R3.500 O=C(CC1=CC=CC=C1)N2CCC3=CC=CC=C23 CNP0284305.0 [0,0,0,1,0,1|1,0,0]=3 209 B20R3.5586 O=C1OCC(=C1C2=CC=CC=C2)C3=CC=CC=C3 CNP0229534.0 [0,0,0,1,0,1|0,0,1]=3 210 B20R3.16085 O=C(CC1=CC=CC=C1)O[C@@H]2CC3=CC=CC=C23 CNP0045667.2 [0,0,0,1,0,1|0,0,0]=2 211 B20R3.16085 O=C(CC1=CC=CC=C1)O[C@H]2CC3=CC=CC=C23 CNP0045667.1 [0,0,0,1,0,1|0,0,0]=2 212 B20R3.82945 O=CC1=CN(C2=CC=CC=C12)CC3=CC=CC=C3 CNP0205952.0 [0,1,0,1,0,0|2,0,0]=4 213 B20R3.278228 O=C1CC[C@@H](C2=CC=C(C=C12)O)C3=CC=CC=C3 CNP0372644.1 [0,1,0,1,0,0|1,0,0]=3 214 B20R3.278228 O=C1CC[C@H](C2=CC=C(C=C12)O)C3=CC=CC=C3 CNP0372644.2 [0,1,0,1,0,0|1,0,0]=3 215 B20R3.13449 O=C1C=C(NC2=CC=CC=C12)CC3=CC=CC=C3 CNP0536615.0 [0,1,0,1,0,0|1,0,1]=4 216 B20R3.13449 O=C1N=C(NC2=CC=CC=C12)CC3=CC=CC=C3 CNP0239897.0 [0,1,0,1,0,0|1,0,1]=4 217 B20R3.13449 O=C1NC(=NC2=CC=CC=C12)CC3=CC=CC=C3 CNP0520625.0 [0,1,0,1,0,0|1,0,1]=4 218 B20R3.13449 O=C1OC(=NC2=CC=CC=C12)CC3=CC=CC=C3 CNP0220333.0 [0,1,0,1,0,0|0,0,1]=3 219 B20R3.247866 O=C1O[C@@H](C2=CC=CC(=C12)O)CC3=CC=CC=C3 CNP0258547.1 [0,1,0,1,0,0|0,0,0]=2 220 B20R3.247866 O=C1O[C@H](C2=CC=CC(=C12)O)CC3=CC=CC=C3 CNP0258547.2 [0,1,0,1,0,0|0,0,0]=2 221 B20R3.2104171 CC1(CN1C(=O)C2=CC=CC=C2)C3=CC=CC=C3 CNP0585063.0 [0,1,0,1,0,0|1,0,0]=3 222 B20R3.5150482 O=C(C[C@@]1(CC2=CC=CC=C12)O)C3=CC=CC=C3 CNP0040144.2 [0,1,0,1,0,0|1,0,0]=3 223 B20R3.5150482 O=C(C[C@]1(CC2=CC=CC=C12)O)C3=CC=CC=C3 CNP0040144.1 [0,1,0,1,0,0|1,0,0]=3 224 B20R4.157578 O=C1CCN2C3=CC=CC=C3C4=C2C1=CC=C4 CNP0056938.0 [0,0,0,2,0,0|2,0,0]=4 225 B16R2.2256 C(=CC1=CC=CC=C1)CC2=CC=CC=C2 CNP0062446.0 [1,0,0,0,1,0|0,0,1]=3 226 B16R2.2256 C(=NCC1=CC=CC=C1)C2=CC=CC=C2 CNP0561622.0 [1,0,0,0,1,0|1,0,0]=3 227 B16R2.2256 C(=NNC1=CC=CC=C1)C2=CC=CC=C2 CNP0056293.0 [1,0,0,0,1,0|2,0,0]=4 228 B16R2.2256 C1=CC=C(C=C1)CCCC2=CC=CC=C2 CNP0253086.0 [1,0,0,0,1,0|0,0,1]=3 229 B16R2.2256 C1=CC=C(C=C1)CCCC2=CC=CC=N2 CNP0002935.0 [1,0,0,0,1,0|1,0,1]=4 230 B16R2.2256 C1=CC=C(C=C1)CNCC2=CC=CC=C2 CNP0440232.0 [1,0,0,0,1,0|1,0,1]=4 231 B16R2.2256 C1=CC=C(C=C1)COCC2=CC=CC=C2 CNP0366137.0 [1,0,0,0,1,0|0,0,1]=3 232 B16R2.2256 C1=CC=C(C=C1)CSCC2=CC=CC=C2 CNP0349220.0 [1,0,0,0,1,0|0,1,1]=4 233 B16R2.2257 C(=NCCC1=CC=CC=C1)C2=CC=CO2 CNP0510397.0 [1,0,0,0,1,0|2,0,0]=4 234 B16R2.88 CC(=CC1=CC=CC=C1)C2=CC=CC=C2 CNP0304088.0 [0,0,0,0,2,0|1,0,1]=4 235 B16R2.88 CC(=NC1=CC=CC=C1)C2=CC=CC=C2 CNP0184062.0 [0,0,0,0,2,0|2,0,0]=4 236 B16R2.88 CC(CC1=CC=CC=C1)C2=CC=CC=C2 CNP0513188.0 [0,0,0,0,2,0|1,0,1]=4 237 B16R2.88 O=C(C[N+]1=CC=CC=C1)C2=CC=CC=C2 CNP0500863.0 [0,0,0,0,2,0|1,0,0]=3 238 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=CC=C2 CNP0026695.0 [0,0,0,0,2,0|1,0,0]=3 239 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 CNP0266183.0 [0,0,0,0,2,0|0,0,0]=2 240 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=N2 CNP0325993.0 [0,0,0,0,2,0|1,0,0]=3 241 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CN=C2 CNP0144946.0 [0,0,0,0,2,0|1,0,0]=3 242 B16R2.88 O=C(OC1=CC=CN=C1)C2=CC=CN=C2 CNP0568481.0 [0,0,0,0,2,0|2,0,0]=4 243 B16R2.88 S=C(NC1=CC=CC=C1)C2=CC=CC=C2 CNP0064437.0 [0,0,0,0,2,0|1,1,0]=4 244 B16R2.2238 O=C(CCC1=CC=CC=C1)N2C=CC=C2 CNP0168448.0 [0,0,0,0,2,0|1,0,0]=3 245 B18R2.2525 C(=CC1=CC=CC=C1)CC=CC2=CC=CC=C2 CNP0182111.0 [1,0,0,0,0,1|1,0,1]=4 246 B18R2.2525 C1=CC=C(C=C1)CCNCCC2=CC=CC=C2 CNP0437053.0 [1,0,0,0,0,1|1,0,1]=4 247 B18R2.2525 C1=CC=C(C=C1)COCOCC2=CC=CC=C2 CNP0124291.0 [1,0,0,0,0,1|0,0,1]=3 248 B20R2.10810 O=C(CC1=CC=CC=C1)OCC=CC2=CC=CC=C2 CNP0086021.0 [0,0,0,0,0,2|0,0,1]=3 249 B20R2.174735 O=C(C=CC1=CC=CC=C1)NCCC2=CC=CC=C2 CNP0289324.0 [0,0,0,0,0,2|1,0,0]=3 250 B20R2.174735 O=C(C=CC1=CC=CC=C1)OCCC2=CC=CC=C2 CNP0126911.0 [0,0,0,0,0,2|0,0,0]=2 251 B20R2.174735 O=C(CCC1=CC=CC=C1)NCCC2=CC=CC=C2 CNP0121224.0 [0,0,0,0,0,2|1,0,0]=3 252 B20R2.174735 O=C(CCC1=CC=CC=C1)OCCC2=CC=CC=C2 CNP0330089.0 [0,0,0,0,0,2|0,0,0]=2 253 B20R2.174735 O=C(NOCC1=CC=CC=C1)OCC2=CC=CC=C2 CNP0396591.0 [0,0,0,0,0,2|2,0,0]=4