0 B11R1.29 CCCCC(=O)C1=CC=CO1 2H17-1-21 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.29 CCCNC(=O)C1=CSC=C1 8H48-1-0X [0,0,0,0,0,0|3,0,0]=3 2 B11R1.29 CCCOC(=O)C1=CC=CO1 2H23-1-1M [0,0,0,0,0,0|1,0,0]=1 3 B11R1.29 CNCC[C@H](O)C1=CC=CS1 8H66-1-2E [0,0,0,0,0,0|1,1,2]=4 4 B10R1.11 CCCC(=O)C1=CC=CO1 2H17-1-20 [1,0,0,0,0,0|0,0,0]=1 5 B10R1.11 CCCC(=O)N1C=CN=C1 4H17-1-0K [1,0,0,0,0,0|3,0,0]=4 6 B10R1.11 CCNC(=O)C1=CSC=C1 8H48-1-0Q [1,0,0,0,0,0|3,0,0]=4 7 B10R1.11 CCOC(=N)C1=CC=CS1 8H66-5-2Z [1,0,0,0,0,0|2,1,0]=4 8 B10R1.11 CCOC(=O)C1=CC=CO1 2H23-1-35 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.11 CCOC(=O)C1=CN=CS1 8H23-1-11 [1,0,0,0,0,0|2,1,0]=4 10 B10R1.11 CCOC(=O)C1=COC=C1 2H23-1-11 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.11 CCOC(=O)C1=NC=CO1 4H23-1-8C [1,0,0,0,0,0|2,0,0]=3 12 B10R1.11 CCOC(=O)C1=NC=CS1 8H23-1-0H [1,0,0,0,0,0|2,1,0]=4 13 B10R1.11 CCOC(=O)N1C=CC=C1 4H56-1-07S [1,0,0,0,0,0|3,0,0]=4 14 B10R1.11 N#CCC(=O)C1=CC=CN1 4H37-1-59 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.21 CCCCCC1=CC=CO1 2H10-1-16 [1,0,0,0,0,0|0,0,1]=2 16 B10R1.21 CCCCCC1=CC=CS1 5H66-1-14 [1,0,0,0,0,0|0,1,1]=3 17 B10R1.21 CCCNCC1=CC=CS1 7H31-1-0J [1,0,0,0,0,0|1,1,1]=4 18 B10R1.21 NCCSCC1=CC=CO1 8H66-1-3N [1,0,0,0,0,0|2,0,1]=4 19 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 2H29-1-0G [0,1,0,0,0,0|1,0,1]=3 20 B12R1.35 CCCCCC(=O)C1=CC=CO1 2H17-1-19 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.54 CC(=O)CCC(=O)C1=COC=C1 2H18-1-02 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 8H32-5-01 [0,1,0,0,0,0|1,1,0]=3 23 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 8H56-9-06 [0,1,0,0,0,0|1,1,0]=3 24 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 6H29-1-00 [0,1,0,0,0,0|1,1,1]=4 25 B12R1.55 CCOC(=O)C(=O)C1=CC=CS1 6H29-1-07 [0,1,0,0,0,0|1,1,1]=4 26 B10R0.19 CCCCC(=O)C(=O)OCC 2129-1-48 [0,0,1,0,0,0|1,0,2]=4 27 B12R2.2 C1=COC(C2CCCCN2)=C1 4H31-1-1W [0,0,0,1,0,0|1,0,1]=3 28 B12R2.2 C1=COC(C2CNCCN2)=C1 4H31-1-23 [0,0,0,1,0,0|2,0,1]=4 29 B12R2.2 C1=CSC(C2CCCCN2)=C1 7H70-1-72 [0,0,0,1,0,0|1,1,1]=4 30 B12R2.221 CC1CNC(=O)C2=CC=CN21 4H48-1-JR [0,0,0,1,0,0|2,0,0]=3 31 B12R2.2074 O=C(NC1CC1)C2=CC=CN2 4H48-1-06E [0,0,0,1,0,0|2,0,0]=3 32 B12R2.2074 O=C(NC1CC1)C2=CSC=C2 8H48-1-0W [0,0,0,1,0,0|3,0,0]=4 33 B12R1.30 CCCCC(=O)C1=NC=CC=C1 4H17-1-9Z [0,0,0,0,0,1|1,0,0]=2 34 B12R1.30 CCCCN(N)C1=CC=CC=C1 3639-1-07 [0,0,0,0,0,1|3,0,0]=4 35 B12R1.30 CCSCC(=O)C1=CC=CC=C1 6666-1-14 [0,0,0,0,0,1|2,0,0]=3 36 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 4637-1-0S [0,0,0,0,0,1|2,0,1]=4 37 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 2617-5-Z5 [0,0,0,0,0,1|2,0,0]=3 38 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 4648-5-2H [0,0,0,0,0,1|3,0,0]=4 39 B12R1.30 O=C(OCCBr)C1=CC=CC=C1 2623-9-0A [0,0,0,0,0,1|3,0,0]=4 40 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 2623-5-0K [0,0,0,0,0,1|3,0,0]=4 41 B12R1.30 O=C(OCCO)C1=CC=CC=C1 2629-1-0R [0,0,0,0,0,1|3,0,0]=4 42 B9R0.5 C\C=C\C=C\C(=O)OCC 2324-1-23 [1,0,1,0,0,0|2,0,0]=4 43 B9R1.11 CCC(=O)C1=CC=CN1 4H17-1-9P [2,0,0,0,0,0|1,0,0]=3 44 B9R1.11 CCC(=O)C1=CC=CS1 6H17-1-23 [2,0,0,0,0,0|0,1,0]=3 45 B9R1.11 CCC(=O)C1=NC=CS1 8H17-1-0G [2,0,0,0,0,0|1,1,0]=4 46 B9R1.11 CNC(=O)C1=CC=CN1 4H48-1-06J [2,0,0,0,0,0|2,0,0]=4 47 B9R1.11 NNC(=O)C1=CC=CO1 4H39-1-22 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.11 O=C(CBr)C1=CC=CO1 2H17-9-X0 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.11 O=C(CCl)C1=CC=CS1 6H17-5-X1 [2,0,0,0,0,0|1,1,0]=4 50 B9R1.12 BrCCCC1=CC=CS1 5H66-9-0K [2,0,0,0,0,0|1,1,0]=4 51 B9R1.12 CCCCC1=CC=CS1 5H66-1-23 [2,0,0,0,0,0|0,1,0]=3 52 B9R1.12 CCCCC1=NC=CN1 3H32-1-GY [2,0,0,0,0,0|2,0,0]=4 53 B9R1.12 CCCCN1C=CC=N1 3H32-1-NQ [2,0,0,0,0,0|2,0,0]=4 54 B9R1.12 CCNCC1=CC=CS1 7H31-1-0C [2,0,0,0,0,0|1,1,0]=4 55 B9R1.12 CCOCC1=CC=CO1 2H07-1-0D [2,0,0,0,0,0|1,0,0]=3 56 B9R1.12 CSSCC1=CC=CO1 6H66-1-1B [2,0,0,0,0,0|2,0,0]=4 57 B9R1.12 OCCCC1=CC=CS1 6H21-1-0E [2,0,0,0,0,0|1,1,0]=4 58 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 4H23-9-0A [1,1,0,0,0,0|2,0,0]=4 59 B11R1.15 CCOC(=O)C1=CC(C)=CN1 4H58-1-XX [1,1,0,0,0,0|2,0,0]=4 60 B11R1.15 CCOC(=O)C1=CC(C)=CS1 6H66-1-60 [1,1,0,0,0,0|1,1,0]=4 61 B11R1.15 CCOC(=O)C1=CC(I)=CN1 4H23-H-10 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.15 CCOC(=O)C1=CC=C(C)N1 4H23-1-76 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.15 CCOC(=O)C1=CC=C(Cl)S1 6H23-5-0D [1,1,0,0,0,0|1,1,0]=4 64 B11R1.15 CCOC(=O)C1=CN=C(Br)O1 4H58-B-32 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.15 CCOC(=O)C1=CNC(=O)O1 4H56-1-0E [1,1,0,0,0,0|2,0,0]=4 66 B11R1.31 N#CC(F)C(=O)C1=CC=CO1 4H37-3-0W [1,1,0,0,0,0|1,0,1]=4 67 B11R1.199 CCNC(=O)C1=CC=CN1C 4H48-1-06F [1,1,0,0,0,0|2,0,0]=4 68 B11R1.199 CCOC(=O)C1=C(Br)N=CO1 4H23-9-68 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.199 CCOC(=O)C1=C(N)C=CN1 4H56-5-U0 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.199 CCOC(=O)C1=CC=CN1N 4H39-5-0C [1,1,0,0,0,0|2,0,0]=4 71 B11R1.4 CCCCNCC1=CC=CS1 7H31-1-0P [1,1,0,0,0,0|0,1,1]=4 72 B11R1.4 CCOCOCC1=CC=CO1 2H08-1-0D [1,1,0,0,0,0|1,0,1]=4 73 B13R1.17 CCCCC(=O)C1=CC=C(C)C=C1 2717-1-0W [0,1,0,0,0,1|1,0,0]=3 74 B13R1.17 CCCCC(=O)C1=CC=C(O)C=C1 2620-1-25 [0,1,0,0,0,1|1,0,0]=3 75 B13R1.17 CCCNC(=O)C1=CC=C(Br)C=C1 4648-9-20 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.17 CCCNC(=O)C1=CC=C(F)C=C1 4648-3-2F [0,1,0,0,0,1|2,0,0]=4 77 B13R1.17 CCCNC(=O)C1=CC=C(O)C=C1 4648-1-5F [0,1,0,0,0,1|2,0,0]=4 78 B13R1.17 CCCOC(=O)C1=CC=C(O)C=C1 2623-1-1T [0,1,0,0,0,1|2,0,0]=4 79 B13R1.17 O=C(CCCCl)C1=CC=C(O)C=C1 2620-5-17 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.18 CCCNC(=O)C1=CC=CC(Br)=C1 4648-9-31 [0,1,0,0,0,1|2,0,0]=4 81 B13R1.18 CCCNC(=O)C1=NC=CC(Cl)=C1 4H48-5-H4 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 2617-1-2A [0,1,0,0,0,1|1,0,0]=3 83 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 4H23-1-CE [0,1,0,0,0,1|1,0,0]=3 84 B13R1.24 CCCCSC(=O)C1=CC=CC=C1 6666-1-0P [0,1,0,0,0,1|1,0,0]=3 85 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 4H56-5-33 [0,1,0,0,0,1|1,0,0]=3 86 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 2623-5-0L [0,1,0,0,0,1|2,0,0]=4 87 B13R1.24 O=C(OCCCF)C1=CC=CC=C1 2623-3-1J [0,1,0,0,0,1|2,0,0]=4 88 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 2623-1-3V [0,1,0,0,0,1|2,0,0]=4 89 B13R1.45 CC(F)COC(=O)C1=CC=CC=C1 2623-3-1H [0,1,0,0,0,1|2,0,0]=4 90 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 4656-1-9K [0,1,0,0,0,1|2,0,0]=4 91 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 4630-5-0G [0,1,0,0,0,1|2,0,0]=4 92 B13R1.674 CCCCC(=O)C1=NC=CC=C1C 4H17-1-8Y [0,1,0,0,0,1|1,0,0]=3 93 B13R1.674 CCCOC(=O)C1=CC=CC=C1O 2629-1-79 [0,1,0,0,0,1|2,0,0]=4 94 B13R1.65 CCC(CO)NC(=O)C1=CC=CO1 4H48-1-055 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.339 O=C(CC(=O)C(F)F)C1=CC=CO1 2H18-3-00 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.17 CCCCC1=CC=CC=C1N 3730-1-0P [0,0,1,1,0,0|2,0,0]=4 97 B11R1.17 CCCOC1=CC=CC=C1O 2607-1-0Q [0,0,1,1,0,0|2,0,0]=4 98 B11R1.24 CCNCC1=CC=CC(O)=C1 4631-1-0R [0,0,1,1,0,0|2,0,0]=4 99 B11R1.24 OCCCC1=CC(O)=CC=C1 2604-1-0S [0,0,1,1,0,0|2,0,0]=4 100 B11R1.214 CCCCC1=CC=C(C=O)S1 6H66-1-87 [0,0,1,1,0,0|0,1,1]=4 101 B11R1.605 CCCC1=C(O)C=CC=C1O 2704-1-10 [0,0,1,1,0,0|0,0,2]=4 102 B11R2.2 C1=CSC(C2=NCCC2)=C1 7H70-1-33 [1,0,0,1,0,0|1,1,0]=4 103 B11R2.106 O=C1CCCC2=C1C=CO2 2H17-1-0J [1,0,0,1,0,0|2,0,0]=4 104 B11R2.106 O=C1CCCC2=C1C=CS2 6H17-1-0B [1,0,0,1,0,0|2,0,0]=4 105 B11R2.106 O=C1CCCN2C=CC=C12 4H48-1-CU [1,0,0,1,0,0|1,0,0]=3 106 B11R2.106 O=C1NCCN2C=CC=C12 4H48-1-06Y [1,0,0,1,0,0|2,0,0]=4 107 B13R2.5252 O=C1CCCCC2=CC=CC=C12 2617-1-1T [0,0,0,1,0,1|1,0,0]=3 108 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 2H17-1-1F [0,0,0,1,0,1|2,0,0]=4 109 B13R2.5252 O=C1NCCCC2=CC=CC=C12 4H48-1-03Z [0,0,0,1,0,1|2,0,0]=4 110 B13R2.674 O=C(C1=CSC=C1)N2CCCC2 8H48-1-0T [0,1,0,1,0,0|2,0,0]=4 111 B13R2.677 C1=COC(C2CCCCCN2)=C1 4H31-1-1P [0,1,0,1,0,0|1,0,1]=4 112 B13R1.44 O=C(CCCCl)NC1=NC=CC=N1 4H48-5-F4 [0,0,0,0,0,2|2,0,0]=4