0 B20R2.174735 O=C(C=CC1=CC=CC=C1)NC=CC2=CC=CC=C2 CNP0184623.0 [0,0,0,0,0,0|1,0,2]=3 1 B20R2.174735 O=C(C=CC1=CC=CC=C1)NCCC2=CC=CC=C2 CNP0289324.0 [0,0,0,0,0,0|1,0,0]=1 2 B20R2.174735 O=C(C=CC1=CC=CC=C1)OCCC2=CC=CC=C2 CNP0126911.0 [0,0,0,0,0,0|0,0,0]=0 3 B20R2.174735 O=C(CCC1=CC=CC=C1)NCCC2=CC=CC=C2 CNP0121224.0 [0,0,0,0,0,0|1,0,2]=3 4 B20R2.174735 O=C(CCC1=CC=CC=C1)OCCC2=CC=CC=C2 CNP0330089.0 [0,0,0,0,0,0|0,0,2]=2 5 B20R2.174735 O=C(NOCC1=CC=CC=C1)OCC2=CC=CC=C2 CNP0396591.0 [0,0,0,0,0,0|3,0,1]=4 6 B21R2.18995 CC1=CC=C(C=C1)C=CC(=O)NCCC2=CC=CC=C2 CNP0145874.0 [0,1,0,0,0,0|1,0,0]=2 7 B21R2.18995 CC1=CC=C(C=C1)OCC(=O)NCCC2=CC=CC=C2 CNP0561160.0 [0,1,0,0,0,0|2,0,1]=4 8 B21R2.18995 O=C(C=CC1=CC=C(C=C1)Cl)NCCC2=CC=CC=C2 CNP0503242.0 [0,1,0,0,0,0|1,0,0]=2 9 B21R2.18995 O=C(C=CC1=CC=C(C=C1)O)NCCC2=CC=CC=C2 CNP0230683.0 [0,1,0,0,0,0|1,0,0]=2 10 B21R2.18995 O=C(C=CC1=CC=C(C=C1)O)OCCC2=CC=CC=C2 CNP0407687.0 [0,1,0,0,0,0|0,0,0]=1 11 B21R2.19000 O=C(C=CC1=CC=CC=C1)NCCC2=CC=C(C=C2)O CNP0289407.0 [0,1,0,0,0,0|1,0,0]=2 12 B21R2.27922 CN(C=CC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2 CNP0131365.0 [0,1,0,0,0,0|1,0,2]=4 13 B21R2.27922 CN(CCC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2 CNP0173287.0 [0,1,0,0,0,0|1,0,0]=2 14 B21R2.27923 O=C(/C=C/C1=CC=CC=C1)NC[C@@H](O)C2=CC=CC=C2 CNP0120270.1 [0,1,0,0,0,0|1,0,0]=2 15 B21R3.8204 O=C1OCC(=C1CC2=CC=CC=C2)C3=CC=CC=C3 CNP0348847.0 [0,0,0,1,0,0|0,0,2]=3 16 B21R3.22167 O=C1C=CC2=CC=CC=C2C1=NNC3=CC=CC=C3 CNP0076045.0 [0,0,0,1,0,0|3,0,0]=4 17 B19R2.8900 O=C(CC1=CC=CC=C1)OC=CC2=CC=CC=C2 CNP0209291.0 [0,0,0,0,1,0|0,0,3]=4 18 B19R2.8900 O=C(CC1=CC=CC=C1)OCCC2=CC=CC=C2 CNP0185180.0 [0,0,0,0,1,0|0,0,1]=2 19 B19R2.16162 CC(=NNC1=CC=CC=C1)C=CC2=CC=CC=C2 CNP0349434.0 [0,0,0,0,1,0|3,0,0]=4 20 B19R2.16162 O=C(C=CC1=CC=CC=C1)C=CC2=CC=CC=C2 CNP0336695.0 [0,0,0,0,1,0|0,0,2]=3 21 B19R2.16162 O=C(C=CC1=CC=CC=C1)NCC2=CC=CC=C2 CNP0242471.0 [0,0,0,0,1,0|1,0,0]=2 22 B19R2.16162 O=C(C=CC1=CC=CC=C1)NNC2=CC=CC=C2 CNP0062980.0 [0,0,0,0,1,0|2,0,0]=3 23 B19R2.16162 O=C(C=CC1=CC=CC=C1)OCC2=CC=CC=C2 CNP0218791.0 [0,0,0,0,1,0|0,0,0]=1 24 B19R2.16162 O=C(CCC1=CC=CC=C1)NNC2=CC=CC=C2 CNP0107626.0 [0,0,0,0,1,0|2,0,0]=3 25 B19R2.16162 O=C(NCC1=CC=CC=C1)NCC2=CC=CC=C2 CNP0571249.0 [0,0,0,0,1,0|2,0,1]=4 26 B19R2.113693 O=C(C=CC1=CC=CO1)NCCC2=CC=CC=C2 CNP0480712.0 [0,0,0,0,1,0|2,0,0]=3 27 B19R2.113698 O=C(C=CC1=CC=CC=C1)NCCC2=CN=CN2 CNP0542039.0 [0,0,0,0,1,0|3,0,0]=4 28 B19R2.113698 O=C(C=CC1=CC=CC=C1)NCCC2=CNC=N2 CNP0365654.0 [0,0,0,0,1,0|3,0,0]=4 29 B21R2.257631 O=C(C=CC1=CC=CC=C1)CCCCC2=CC=CC=C2 CNP0159076.0 [0,0,0,0,0,1|1,0,0]=2 30 B21R2.257631 O=C(C=CC1=CC=CC=C1)NCCOC2=CC=CC=C2 CNP0490707.0 [0,0,0,0,0,1|1,0,0]=2 31 B21R2.257631 O=C(C=CC1=CC=CC=C1)OCC=CC2=CC=CC=C2 CNP0189654.0 [0,0,0,0,0,1|0,0,1]=2 32 B21R2.257631 O=C(C=CC1=CC=CC=C1)OCCCC2=CC=CC=C2 CNP0197436.0 [0,0,0,0,0,1|0,0,0]=1 33 B21R2.257631 O=C(C=CC1C=CC=CC1)OCC=CC2=CC=CC=C2 CNP0546256.0 [0,0,0,0,0,1|0,0,3]=4 34 B21R2.257631 O=C(C=CCCC1=CC=CC=C1)CCC2=CC=CC=C2 CNP0405534.0 [0,0,0,0,0,1|1,0,2]=4 35 B21R2.257631 O=C(CCC1=CC=CC=C1)NCCOC2=CC=CC=C2 CNP0490331.0 [0,0,0,0,0,1|1,0,2]=4 36 B21R2.257631 O=C(CCC1=CC=CC=C1)OCC=CC2=CC=CC=C2 CNP0111148.0 [0,0,0,0,0,1|0,0,3]=4 37 B21R2.257676 O=C(NCCC1=CC=CC=C1)NCCC2=CC=CC=C2 CNP0209322.0 [0,0,0,0,0,1|1,0,2]=4 38 B20R2.10810 O=C(CC1=CC=CC=C1)OCC=CC2=CC=CC=C2 CNP0086021.0 [1,1,0,0,0,0|0,0,2]=4 39 B20R2.10847 O=C(CC1=CC=CC=C1)OC(=O)CC2=CC=CC=C2 CNP0127335.0 [0,1,0,0,1,0|0,0,2]=4 40 B20R2.15229 O=C(CC1=CC=CC=C1)OCCC2=CC=C(C=C2)O CNP0162027.0 [0,1,0,0,1,0|0,0,1]=3 41 B20R2.15829 O=C(CC1=CC=C(C=C1)Br)NCCC2=CC=CC=C2 CNP0488189.0 [0,1,0,0,1,0|1,0,1]=4 42 B20R2.4449 O=C(C=CC1=CC=C(C=C1)Cl)NCC2=CC=CC=C2 CNP0561757.0 [0,1,0,0,1,0|1,0,0]=3 43 B20R2.4449 O=C(C=CC1=CC=C(C=C1)O)OCC2=CC=CC=C2 CNP0118418.0 [0,1,0,0,1,0|0,0,0]=2 44 B20R2.4449 O=C(CCC1=CC=C(C=C1)O)NCC2=CC=CC=C2 CNP0355512.0 [0,1,0,0,1,0|1,0,1]=4 45 B20R2.4449 O=C1C=CC(=NOC(=O)C=CC2=CC=CC=C2)C=C1 CNP0511312.0 [0,1,0,0,1,0|1,0,0]=3 46 B20R2.21596 CC(=CC(=O)C1=CC=CC=C1)NCC2=CC=CC=C2 CNP0042892.0 [0,1,0,0,1,0|2,0,0]=4 47 B20R2.21596 CN(NC(=O)CCC1=CC=CC=C1)C2=CC=CC=C2 CNP0047894.0 [0,1,0,0,1,0|2,0,0]=4 48 B20R2.21596 C[C@H](OC(=O)/C=C/C1=CC=CC=C1)C2=CC=CC=C2 CNP0138608.1 [0,1,0,0,1,0|0,0,0]=2 49 B20R2.21596 O=C(CCC1=CC=CC=C1)CC(O)C2=CC=CC=C2 CNP0120102.0 [0,1,0,0,1,0|0,0,2]=4 50 B22R2.4392 O=C(C=CC1=CC=CC=C1)OCC=CC2=CC=C(C=C2)O CNP0510442.0 [0,1,0,0,0,1|0,0,1]=3 51 B22R2.4392 O=C(C=CC1=CC=CC=C1)OCCCC2=CC=C(C=C2)O CNP0182131.0 [0,1,0,0,0,1|0,0,0]=2 52 B22R2.23174 O=C(C=CC1=CC=C(C=C1)O)OCC=CC2=CC=CC=C2 CNP0142421.0 [0,1,0,0,0,1|0,0,1]=3 53 B22R2.34114 O=C(/C=C/C1=CC=CC=C1)C[C@@H](O)CCC2=CC=CC=C2 CNP0174496.2 [0,1,0,0,0,1|1,0,0]=3 54 B22R2.34114 O=C(/C=C/C1=CC=CC=C1)C[C@H](O)CCC2=CC=CC=C2 CNP0174496.1 [0,1,0,0,0,1|1,0,0]=3 55 B22R2.34114 O=C(C=C(O)C=CC1=CC=CC=C1)CCC2=CC=CC=C2 CNP0131437.0 [0,1,0,0,0,1|1,0,1]=4 56 B22R2.34114 O=C(C=CC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2 CNP0209739.0 [0,1,0,0,0,1|1,0,0]=3 57 B22R2.34114 O=C(C=CC1=CC=CC=C1)OC(=O)C=CC2=CC=CC=C2 CNP0153968.0 [0,1,0,0,0,1|0,0,2]=4 58 B22R2.34114 O=C(CCC1=CC=CC=C1)OC(=O)CCC2=CC=CC=C2 CNP0234019.0 [0,1,0,0,0,1|0,0,2]=4 59 B22R2.34137 O=C(COC(=O)C=CC1=CC=CC=C1)NC2=CC=CC=C2 CNP0009993.0 [0,1,0,0,0,1|0,0,1]=3 60 B22R2.4388 O=C(CC=CC1=CC=CC=C1)OCCC2=CC=C(C=C2)O CNP0447272.0 [0,1,0,0,0,1|0,0,0]=2 61 B22R2.130366 O=C(C=CC1=CC=CC=C1O)NCCC2=CC=C(C=C2)O CNP0325802.0 [0,2,0,0,0,0|1,0,0]=3 62 B22R2.130366 O=C(CCC1=CC=CC=C1O)OCCC2=CC=C(C=C2)O CNP0611832.0 [0,2,0,0,0,0|0,0,2]=4 63 B22R2.6513 COC1=CC=C(C=C1)C=CC(=O)NCCC2=CC=CC=C2 CNP0599914.0 [0,2,0,0,0,0|1,0,0]=3 64 B22R2.6513 COC1=CC=C(C=C1)C=CC(=O)OCCC2=CC=CC=C2 CNP0151439.0 [0,2,0,0,0,0|0,0,0]=2 65 B22R2.22612 O=C(C=CC1=CC=C(C=C1)O)NCCC2=CC=C(C=C2)O CNP0182970.0 [0,2,0,0,0,0|1,0,0]=3 66 B22R2.22612 O=C(C=CC1=CC=C(C=C1)O)OCCC2=CC=C(C=C2)O CNP0123650.0 [0,2,0,0,0,0|0,0,0]=2 67 B22R2.518356 O=C(C=CC1=CC=C(C(=C1)O)O)NCCC2=CC=CC=C2 CNP0479802.0 [0,2,0,0,0,0|1,0,0]=3 68 B22R2.518356 O=C(C=CC1=CC=C(C(=C1)O)O)OC=CC2=CC=CC=C2 CNP0218576.0 [0,2,0,0,0,0|0,0,2]=4 69 B22R2.518356 O=C(C=CC1=CC=C(C(=C1)O)O)OCCC2=CC=CC=C2 CNP0143842.0 [0,2,0,0,0,0|0,0,0]=2 70 B22R2.77 COC1=CC=C(C=C1)CCNC(=O)C=CC2=CC=CC=C2 CNP0129544.0 [0,2,0,0,0,0|1,0,0]=3 71 B22R2.4387 O=C(C=CC1=CC=CC(=C1)O)NCCC2=CC=C(C=C2)O CNP0491580.0 [0,2,0,0,0,0|1,0,0]=3 72 B22R2.22797 CC1=CC=C(C=C1)[C@@H](C)CCC(=O)/C=C/C2=CC=CC=C2 CNP0180740.1 [0,2,0,0,0,0|1,0,0]=3 73 B22R2.22797 CC1=CC=C(C=C1)[C@@H](C)CCC(=O)/C=C\C2=CC=CC=C2 CNP0180740.6 [0,2,0,0,0,0|1,0,0]=3 74 B22R2.22797 CC1=CC=C(C=C1)[C@@H](C)CCC(=O)C=CC2=CC=CC=C2 CNP0180740.5 [0,2,0,0,0,0|1,0,0]=3 75 B22R2.22797 CC1=CC=C(C=C1)[C@H](C)CCC(=O)/C=C/C2=CC=CC=C2 CNP0180740.4 [0,2,0,0,0,0|1,0,0]=3 76 B22R2.22797 CC1=CC=C(C=C1)[C@H](C)CCC(=O)/C=C\C2=CC=CC=C2 CNP0180740.3 [0,2,0,0,0,0|1,0,0]=3 77 B22R2.22797 CC1=CC=C(C=C1)[C@H](C)CCC(=O)C=CC2=CC=CC=C2 CNP0180740.2 [0,2,0,0,0,0|1,0,0]=3 78 B22R2.22797 O=C(/C=C/C1=CC=CC=C1)NC[C@@H](O)C2=CC=C(C=C2)O CNP0260491.1 [0,2,0,0,0,0|1,0,0]=3 79 B22R2.23240 O=C1C=CC(C=C1)(O)CCNC(=O)C=CC2=CC=CC=C2 CNP0118858.0 [0,2,0,0,0,0|1,0,1]=4 80 B22R2.34108 CN(CC(O)C1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2 CNP0125288.0 [0,2,0,0,0,0|1,0,0]=3 81 B22R2.17679 CC[C@@H](CC1=CC=CC=C1)NC(=O)/C=C/C2=CC=CC=C2 CNP0361347.2 [0,2,0,0,0,0|1,0,0]=3 82 B22R2.17679 CC[C@H](CC1=CC=CC=C1)NC(=O)/C=C/C2=CC=CC=C2 CNP0361347.1 [0,2,0,0,0,0|1,0,0]=3 83 B22R2.360822 C/C(=C\C(=O)N[C@@H](C)CC1=CC=CC=C1)/C2=CC=CC=C2 CNP0361686.2 [0,2,0,0,0,0|1,0,0]=3 84 B22R2.360822 C/C(=C\C(=O)N[C@H](C)CC1=CC=CC=C1)/C2=CC=CC=C2 CNP0361686.1 [0,2,0,0,0,0|1,0,0]=3 85 B20R3.500 O=C(CC1=CC=CC=C1)N2CCC3=CC=CC=C23 CNP0284305.0 [0,0,0,1,1,0|1,0,1]=4 86 B20R3.5586 O=C1OCC(=C1C2=CC=CC=C2)C3=CC=CC=C3 CNP0229534.0 [0,0,0,1,1,0|0,0,1]=3 87 B20R3.16085 O=C(CC1=CC=CC=C1)O[C@@H]2CC3=CC=CC=C23 CNP0045667.2 [0,0,0,1,1,0|0,0,1]=3 88 B20R3.16085 O=C(CC1=CC=CC=C1)O[C@H]2CC3=CC=CC=C23 CNP0045667.1 [0,0,0,1,1,0|0,0,1]=3 89 B20R3.11933 O=C1C[C@@H](N(N1)C2=CC=CC=C2)C3=CC=CC=C3 CNP0152352.2 [0,0,0,1,1,0|2,0,0]=4 90 B20R3.11933 O=C1C[C@H](N(N1)C2=CC=CC=C2)C3=CC=CC=C3 CNP0152352.1 [0,0,0,1,1,0|2,0,0]=4 91 B22R3.11013 O=C1ON=C(C1=CC2=CC=C(C=C2)O)C3=CC=CC=C3 CNP0159249.0 [0,1,0,1,0,0|1,0,1]=4 92 B22R3.17729 O=C1O[C@@H](C(=C1CC2=CC=CC=C2)C3=CC=CC=C3)O CNP0016930.1 [0,1,0,1,0,0|0,0,2]=4 93 B22R3.17729 O=C1O[C@H](C(=C1CC2=CC=CC=C2)C3=CC=CC=C3)O CNP0016930.2 [0,1,0,1,0,0|0,0,2]=4 94 B22R3.791519 O=C(CC1=CC=CC=C1)OC2=CC=C3C=CC=CC3=C2 CNP0495225.0 [0,1,0,1,0,0|1,0,1]=4 95 B22R3.11412 O=C1O[C@@H](C(=C1O)C2=CC=CC=C2)CC3=CC=CC=C3 CNP0176648.2 [0,1,0,1,0,0|0,0,0]=2 96 B22R3.11412 O=C1O[C@H](C(=C1O)C2=CC=CC=C2)CC3=CC=CC=C3 CNP0176648.1 [0,1,0,1,0,0|0,0,0]=2 97 B22R3.66833 O=C1OCC(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3 CNP0452984.0 [0,1,0,1,0,0|0,0,1]=3 98 B22R3.66833 O=C1OCC(=C1C(O)C2=CC=CC=C2)C3=CC=CC=C3 CNP0111152.0 [0,1,0,1,0,0|0,0,2]=4 99 B22R3.66833 O=C1OCC(=C1C(S)C2=CC=CC=C2)C3=CC=CC=C3 CNP0352662.0 [0,1,0,1,0,0|0,0,2]=4 100 B18R2.2429 O=C(CC1=CC=CC=C1)NCC2=CC=CC=C2 CNP0510420.0 [0,0,0,0,2,0|1,0,1]=4 101 B18R2.2429 O=C(CC1=CC=CC=C1)OCC2=CC=CC=C2 CNP0071168.0 [0,0,0,0,2,0|0,0,1]=3 102 B18R2.2429 O=C(CCC1=CC=CC=C1)NC2=CC=CC=C2 CNP0071049.0 [0,0,0,0,2,0|1,0,0]=3 103 B18R2.7189 O=C(NCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0168016.0 [0,0,0,0,2,0|1,0,0]=3 104 B18R2.7189 O=C(NOCC1=CC=CC=C1)C2=CC=CC=C2 CNP0071190.0 [0,0,0,0,2,0|2,0,0]=4 105 B18R2.7189 O=C(OCCC1=CC=CC=C1)C2=CC=CC=C2 CNP0174611.0 [0,0,0,0,2,0|0,0,0]=2 106 B20R2.2703 C(=CC1=CC=CC=C1)COC=CCC2=CC=CC=C2 CNP0018482.0 [1,0,0,0,0,1|0,0,2]=4 107 B20R2.2703 C(=CC1=CC=CC=C1)COCC=CC2=CC=CC=C2 CNP0074688.0 [1,0,0,0,0,1|0,0,2]=4 108 B20R2.2703 C(=CC=CC1=CC=CC=C1)C=CCC2=CC=CC=C2 CNP0233545.0 [1,0,0,0,0,1|1,0,1]=4 109 B20R2.174710 O=C(C=CC1=CC=CO1)NCCCC2=CC=CC=C2 CNP0603658.0 [0,0,0,0,1,1|2,0,0]=4