0 B13R2.10 CC1=NOC(C2=CC=CC=C2)=N1 SBB087430 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SBB060969 [0,0,0,0,0,0|0,0,0]=0 2 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 SBB068903 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.10 O=C1CSC(C2=CC=CC=C2)N1 SBB076217 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 SBB056523 [1,0,0,0,0,0|2,0,1]=4 5 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.2 C1=CC=C(C2NCCS2)C=C1 SBB087945 [1,0,0,0,0,0|1,1,0]=3 9 B12R2.2 C1=CC=C(C2OCCO2)C=C1 SBB058599 [1,0,0,0,0,0|0,0,0]=1 10 B12R2.2 C1=CC=C(C2OCCS2)C=C1 SBB056712 [1,0,0,0,0,0|0,1,0]=2 11 B12R2.2 C1=CN=C(C2CCCN2)C=C1 SBB050916 [1,0,0,0,0,0|3,0,0]=4 12 B14R2.20 O=C1CCC(C2=CC=C(F)C=C2)O1 SBB067241 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.403 CC1(C)COC(C2=CN=CC=C2)=N1 SBB058941 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.2950 CC1COC(C)(C2=CC=CC=C2)O1 SBB061023 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.3 CCCC(C#N)C1=CC=CC=C1 SBB007788 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.3 CCCC(CC)C1=CC=CC=C1 SBB061240 [0,0,1,0,0,0|2,0,0]=3 17 B12R1.3 CCCC(CN)C1=CC=CC=C1 SBB073169 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [0,0,1,0,0,0|1,0,0]=2 19 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [0,0,1,0,0,0|1,1,1]=4 24 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 SBB088177 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [0,0,1,0,0,0|1,0,2]=4 26 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [0,0,1,0,0,0|1,0,0]=2 27 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [0,0,1,0,0,0|1,0,2]=4 28 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [0,0,1,0,0,0|2,0,0]=3 29 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [0,0,1,0,0,0|0,0,2]=3 30 B12R1.30 CCCOC(=O)C1=CN=CC=C1 SBB061278 [0,0,1,0,0,0|1,0,2]=4 31 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [0,0,1,0,0,0|2,0,0]=3 32 B12R1.30 OCCN[C@H](C)C1=CC=CC=C1 SBB010055 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [0,0,1,0,0,0|1,0,2]=4 34 B12R1.107 N(C(C)C)[C@H](C)C1=CC=CC=C1 SBB059587 [0,0,1,0,0,0|2,0,0]=3 35 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [0,0,1,0,0,0|0,1,2]=4 36 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,0,1,0,0,0|2,0,0]=3 38 B12R1.252 FC(F)CNCC1=CC=CC=C1 SBB046667 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [0,0,1,0,0,0|1,0,2]=4 40 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,0,1,0,0,0|2,0,1]=4 41 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [0,0,1,0,0,0|2,0,1]=4 42 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [0,0,1,0,0,0|2,0,1]=4 43 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [0,0,1,0,0,0|1,0,1]=3 44 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [0,0,1,0,0,0|1,1,1]=4 45 B14R2.21 CC1CCOC(C2=CC=CC=C2)O1 SBB061029 [0,0,0,0,0,1|0,0,0]=1 46 B14R2.21 CN1CCNC(C2=CC=CC=C2)C1 SBB048041 [0,0,0,0,0,1|3,0,0]=4 47 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 SBB046720 [0,0,0,0,0,1|3,0,0]=4 48 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 SBB008579 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.12 CCC(C#N)C1=CC=CC=C1 SBB068828 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.12 CCC(CC)C1=CC=CC=C1 SBB060456 [1,0,1,0,0,0|1,0,0]=3 51 B11R1.12 CCC(CN)C1=CC=CC=C1 SBB073168 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.12 CCN(CC)C1=CC=CC=C1 SBB060520 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [1,0,1,0,0,0|0,0,2]=4 55 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [1,0,1,0,0,0|1,0,0]=3 56 B11R1.16 CCOC(=O)C1=CC=CC=C1 SBB058595 [1,0,1,0,0,0|0,0,2]=4 57 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [1,0,1,0,0,0|1,0,0]=3 59 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [1,0,1,0,0,0|1,0,0]=3 62 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [1,0,1,0,0,0|0,0,0]=2 63 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [1,0,1,0,0,0|1,0,0]=3 67 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [1,0,1,0,0,0|1,0,0]=3 68 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [1,0,1,0,0,0|1,1,0]=4 69 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [1,0,1,0,0,0|1,0,0]=3 70 B11R1.28 OCCNCC1=CC=CN=C1 SBB010335 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.28 OCCNCC1=NC=CC=C1 SBB110041 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [1,0,1,0,0,0|0,0,0]=2 73 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [1,0,1,0,0,0|0,1,0]=3 74 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [1,0,1,0,0,0|0,0,2]=4 75 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [1,0,1,0,0,0|1,0,1]=4 76 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [1,0,1,0,0,0|1,0,0]=3 77 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.91 CC(O)C#CC1=CC=CC=C1 SBB015100 [1,0,1,0,0,0|1,0,1]=4 79 B13R1.26 COC(CCC#N)C1=CC=CC=C1 SBB046563 [0,1,1,0,0,0|1,0,1]=4 80 B13R1.14 CCC(C)NCC1=CC=C(C)C=C1 SBB080104 [0,1,1,0,0,0|2,0,0]=4 81 B13R1.417 N(CC1=CC=CC=C1)[C@H](CC)CO SBB040057 [0,1,1,0,0,0|1,0,0]=3 82 B13R1.528 CCC(C)NCC1=C(C)C=CC=C1 SBB080106 [0,1,1,0,0,0|2,0,0]=4 83 B13R1.528 CCC(C)NCC1=C(Cl)C=CC=C1 SBB080109 [0,1,1,0,0,0|2,0,0]=4 84 B13R1.17 CCCOC(=O)C1=CC=C(N)C=C1 SBB015273 [0,1,1,0,0,0|0,0,2]=4 85 B13R1.17 OC1=CC=C(C(=O)OCCC)C=C1 SBB015060 [0,1,1,0,0,0|0,0,2]=4 86 B13R1.18 [NH2+](CC)CC(O)C1=CC=CC(O)=C1 SBB057403 [0,1,1,0,0,0|2,0,0]=4 87 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 SBB060566 [0,1,1,0,0,0|0,0,2]=4 88 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 SBB089573 [0,1,1,0,0,0|2,0,0]=4 89 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 SBB065016 [0,1,1,0,0,0|2,0,0]=4 90 B13R1.132 CC(C)OC(=O)C1=CC=C(N)C=C1 SBB007108 [0,1,1,0,0,0|0,0,2]=4 91 B13R1.132 CC(C)OC(=O)C1=CC=C(O)C=C1 SBB080171 [0,1,1,0,0,0|0,0,2]=4 92 B13R1.147 CC(C)OC(=O)C1=CC(O)=CC=C1 SBB080175 [0,1,1,0,0,0|0,0,2]=4 93 B13R1.201 CC(C)OC(=O)C1=C(N)C=CC=C1 SBB017701 [0,1,1,0,0,0|0,0,2]=4 94 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1Br SBB099679 [0,1,1,0,0,0|0,0,2]=4 95 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O SBB065090 [0,1,1,0,0,0|0,0,2]=4 96 B13R1.158 CC(O)CNCC1=C(F)C=CC=C1 SBB010700 [0,1,1,0,0,0|1,0,0]=3 97 B13R1.718 CCC(O)CC#CC1=CC=CC=C1 SBB008961 [0,1,1,0,0,0|1,0,1]=4 98 B13R1.718 NCC(O)COCC1=CC=CC=C1 SBB010672 [0,1,1,0,0,0|0,0,0]=2 99 B13R1.718 OC(CCl)COCC1=CC=CC=C1 SBB056727 [0,1,1,0,0,0|0,0,0]=2 100 B13R1.718 OCC(O)COCC1=CC=CC=C1 SBB058667 [0,1,1,0,0,0|0,0,0]=2 101 B13R2.12 CC1=CC=C(C2NCCS2)C=C1 SBB089577 [1,1,0,0,0,0|1,1,0]=4 102 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 SBB025075 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.12 ClC1=CC=C(C2NCCS2)C=C1 SBB018043 [1,1,0,0,0,0|1,1,0]=4 104 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 SBB025074 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.12 FC1=CC=C(C2NCCS2)C=C1 SBB090067 [1,1,0,0,0,0|1,1,0]=4 106 B13R2.12 NC1=CC=C(C2=NCCO2)C=C1 SBB057030 [1,1,0,0,0,0|1,0,1]=4 107 B13R2.12 OC1=CC=C(C2SCCS2)C=C1 SBB058466 [1,1,0,0,0,0|0,2,0]=4 108 B13R2.13 BrC1=CC(C2OCCO2)=CC=C1 SBB067478 [1,1,0,0,0,0|0,0,0]=2 109 B13R2.13 CC1=CC(C2CCCN2)=CC=C1 SBB025072 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 SBB012996 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.13 NC1=CC(C2OCCO2)=CC=C1 SBB051785 [1,1,0,0,0,0|0,0,0]=2 112 B13R2.18 BrC1=CC=CC=C1C2OCCO2 SBB067486 [1,1,0,0,0,0|0,0,0]=2 113 B13R2.18 CC1=CC=CC=C1C2CCCN2 SBB025073 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.18 FC1=CC=CC=C1C2CCCN2 SBB025604 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.223 CC1(C2=CC=CC=C2)OCCO1 SBB060992 [1,1,0,0,0,0|0,0,0]=2 116 B15R2.7532 CC1(C)COC(CC2=CC=CC=C2)=N1 SBB116850 [0,1,0,0,0,1|1,0,1]=4 117 B15R2.4128 CC1(CO)COC(C2=CC=CC=C2)=N1 SBB071870 [0,2,0,0,0,0|1,0,1]=4 118 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 SBB060081 [0,0,1,1,0,0|2,0,0]=4 119 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 SBB022661 [0,0,1,1,0,0|2,0,0]=4 120 B13R2.3 C1=CC=C(C2CCOCO2)C=C1 SBB068827 [0,0,1,1,0,0|2,0,0]=4 121 B13R2.3 C1=CC=C(C2OCCCO2)C=C1 SBB060991 [0,0,1,1,0,0|0,0,0]=2 122 B13R2.3 C1=CC=C(C2SCCCS2)C=C1 SBB059731 [0,0,1,1,0,0|0,2,0]=4 123 B13R2.1613 NCC1OCCC2=CC=CC=C21 SBB050938 [0,0,1,1,0,0|2,0,0]=4 124 B13R2.1613 OCC1OCCC2=CC=CC=C21 SBB014270 [0,0,1,1,0,0|2,0,0]=4 125 B13R2.57 OC[C@@H]1CC2=CC=CC=C2CN1 SBB003923 [0,0,1,1,0,0|1,0,0]=3 126 B13R2.12159 CC1(C)OC(=O)C2=CC=CC=C21 SBB056312 [0,0,1,1,0,0|0,0,2]=4 127 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 SBB010434 [0,0,1,1,0,0|2,0,0]=4 128 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 SBB060420 [0,0,1,1,0,0|0,0,0]=2 129 B11R1.40 CC(CN)OC1=CC=CC=C1 SBB028307 [0,0,1,0,1,0|1,0,0]=3 130 B11R1.172 CC(O)COCC1=CC=CO1 SBB017123 [0,0,1,0,1,0|1,0,0]=3 131 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 SBB061302 [0,0,1,0,0,1|0,0,2]=4