0 B13R1.45 CC(C)NCC(=O)C1=NC=CN=C1 DY709873 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 NO14046 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CN=C1 NO19949 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 CN(C)\C=C\C(=O)C1=NC=CC=C1 DY513333 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 NO22116 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.30 CCCOC(=O)C1=CC=CC=C1 NO11887 [1,0,0,0,0,0|0,0,0]=1 6 B12R1.30 NCCNC(=O)C1=CN=CC=C1 DY569109 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.30 O=C(CCCO)C1=CC=CN=C1 DY713917 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.30 O=C(NCCBr)C1=NC=CC=C1 DY663074 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.30 O=C(NCCO)C1=CN=CC=C1 NO11709 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.252 CC(C)CNCC1=CC=NC=C1 DY611023 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.252 CN(C)CCOC1=CC=CC=C1 NO11261 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 NO20248 [1,0,0,0,0,0|1,0,1]=3 13 B14R1.415 CC(C)[C@@H](O)C[C@H](N)C1=CC=CC=C1 DY620376 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.417 CC(C)CC(O)C(=O)C1=CC=CC=C1 DY584426 [0,1,0,0,0,0|1,0,0]=2 15 B14R1.3098 O=C(CCC(F)(F)F)C1=CC=CC=C1 DY722143 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.68 O[C@H]1CO[C@@H](C2=CC=CC=C2)OC1 NO11153 [0,0,0,1,0,0|1,0,2]=4 17 B14R2.25733 CC(C)C1NC(=O)C2=CC=CC=C21 DY708715 [0,0,0,1,0,0|1,0,0]=2 18 B14R2.25733 CC(C)N1C=C(O)C2=CC=CC=C21 DY728557 [0,0,0,1,0,0|2,0,1]=4 19 B14R2.25733 CC(C)N1N=C(Br)C2=CC=CC=C21 DY761324 [0,0,0,1,0,0|3,0,0]=4 20 B14R2.29285 CC1(C)CCC(N)C2=CC=CC=C21 DY765329 [0,0,0,1,0,0|2,0,1]=4 21 B12R1.107 CC(Br)CC(C)C1=CC=CC=C1 DY747547 [0,0,0,0,1,0|2,0,1]=4 22 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 DY626041 [0,0,0,0,1,0|2,0,1]=4 23 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 DY622905 [0,0,0,0,1,0|2,0,1]=4 24 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 DY822243 [0,0,0,0,1,0|1,0,2]=4 25 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 DY459348 [0,0,0,0,1,0|2,0,1]=4 26 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 NO17400 [0,0,0,0,1,0|2,0,1]=4 27 B11R1.16 CCCC(=O)C1=NC=CN=C1 DY710605 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.16 CCOC(=N)C1=CC=CC=C1 DY744223 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.16 CCOC(=N)C1=CN=CC=C1 DY714620 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.16 CCOC(=O)C1=CN=CC=C1 NO19194 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.16 CCOC(=O)C1=CN=NC=C1 DY736430 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.16 CCOC(=O)C1=NC=CC=C1 NO14035 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.16 CNCC(=O)C1=CC=CC=C1 DY794643 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.16 N#CCC(=O)C1=CC=CC=C1 NO10995 [2,0,0,0,0,0|1,0,1]=4 35 B11R1.16 O=[P+](OCO)C1=CC=CC=C1 DY796893 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [2,0,0,0,0,0|1,0,1]=4 37 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [2,0,0,0,0,0|1,0,1]=4 40 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 DY569241 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 NO22799 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.17 CCCCC(=O)C1=CC=C(F)C=C1 DY585166 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 DY746995 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 DY21005 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 DY746035 [1,1,0,0,0,0|0,0,1]=3 46 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 DY822137 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.24 CCCCCC(=O)C1=CC=CN=C1 DY652749 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 DY21065 [1,1,0,0,0,0|0,0,0]=2 49 B13R1.47 CCCC(Br)C(=O)C1=CC=CC=C1 DY746791 [1,1,0,0,0,0|1,0,0]=3 50 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 DY528423 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.674 CCCCC(=O)C1=NC=CC=C1C DY652310 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.674 CCCNC(=O)C1=C(Br)C=CC=C1 DY612329 [1,1,0,0,0,0|1,0,0]=3 53 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 DY798153 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.513 CC(C)CCOC1=CC=C(N)C=C1 DY501819 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.513 CC(C)CNCC1=CC=C(F)C=C1 DY612422 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 DY622029 [1,1,0,0,0,0|1,0,1]=4 57 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 NO13312 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.718 OCC(O)COCC1=CC=CC=C1 NO20085 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.132 CC(C)NC(=O)C1=CC=C(Br)N=C1 DY714944 [0,1,0,0,1,0|2,0,0]=4 60 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 DY604557 [0,1,0,0,1,0|1,0,0]=3 61 B13R1.132 CC(C)OC(=O)C1=CC=C(Cl)N=N1 NO22403 [0,1,0,0,1,0|2,0,0]=4 62 B13R1.132 CC(C)OC(=O)C1=NNC(=O)C=C1 DY736916 [0,1,0,0,1,0|2,0,0]=4 63 B13R1.147 CC(C)CC(=O)C1=CC(Cl)=NC=C1 DY655440 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.147 CC(C)NC(=O)C1=NC(Cl)=CC=C1 DY715286 [0,1,0,0,1,0|2,0,0]=4 65 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O DY745651 [0,1,0,0,1,0|0,0,0]=2 66 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 DY796641 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.352 CN(CC(C)(C)N)C1=CC=CC=C1 DY565245 [0,1,0,0,1,0|2,0,0]=4 68 B13R1.352 O=C(CC(F)(F)F)C1=CC=CC=C1 DY433251 [0,1,0,0,1,0|2,0,0]=4 69 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 DY20988 [0,1,0,0,0,1|1,0,1]=4 70 B15R1.8420 CC(C)COC(=O)C1=C(O)C=CC(Br)=C1 DY790455 [0,2,0,0,0,0|0,0,0]=2 71 B15R1.8312 CC1=CC=NC(Cl)=C1C(=O)NCC(C)C DY655668 [0,2,0,0,0,0|2,0,0]=4 72 B15R1.947 CCC(=O)[C@H](C)OC(=O)C1=CC=CC=C1 DY789375 [0,2,0,0,0,0|1,0,1]=4 73 B13R2.371 NC1CCC(=O)C2=CC=CC=C21 DY765857 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.371 O=C1CCC(Br)C2=CC=CC=C12 DY766307 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 NO17849 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 DY20683 [1,0,0,1,0,0|1,0,0]=3 77 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 NO11086 [1,0,0,1,0,0|2,0,0]=4 78 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 DY20949 [1,0,0,1,0,0|1,0,1]=4 79 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 DY20329 [1,0,0,1,0,0|1,0,1]=4 80 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 DY20328 [1,0,0,1,0,0|1,0,1]=4 81 B13R2.3122 CC1(C)CNCC2=CC=CC=C21 DY571923 [1,0,0,1,0,0|1,0,1]=4 82 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 NO21531 [0,0,0,1,1,0|1,0,1]=4 83 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 DY568083 [0,0,0,1,1,0|1,0,1]=4 84 B15R2.59 CC(C)[C@H]1COC(C2=NC=CC=C2)=N1 DY584331 [0,0,0,1,0,1|2,0,0]=4 85 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)C1 DY113128 [0,0,0,1,0,1|1,0,1]=4 86 B15R2.7494 CC1(C)CCC(=O)C2=CC(N)=CC=C21 DY763235 [0,1,0,1,0,0|1,0,0]=3 87 B15R2.7474 CC1(C)COC(C2=C(Br)C=CC=C2)=N1 DY794343 [0,1,0,1,0,0|1,0,0]=3 88 B15R2.16439 O=C(NCC1CNC1)C2=CC=CC=C2 DY719734 [0,1,0,1,0,0|1,0,0]=3 89 B15R2.61763 CC1(C)C(=O)NC(=O)C2=CC=CC=C21 DY559875 [0,1,0,1,0,0|1,0,1]=4 90 B15R2.61763 CC1(C)C(=O)OC(=O)C2=CC=CC=C21 NO16617 [0,1,0,1,0,0|0,0,1]=3 91 B15R2.24965 CC(C)N1C(=O)C(=O)C2=CC=CC=C21 DY504105 [0,1,0,1,0,0|2,0,0]=4 92 B15R2.467 CC1(C)COB(C2=CC=CC=C2)OC1 DY450478 [0,1,0,1,0,0|1,0,1]=4 93 B15R2.14787 CC1(C)CNC(=O)C2=CC=C(Br)C=C21 DY718515 [0,1,0,1,0,0|1,0,0]=3 94 B11R1.91 CC(C)COC1=NC=CC=C1 DY655892 [1,0,0,0,1,0|1,0,0]=3 95 B11R1.91 CC(C)\N=C\C1=CC=CC=C1 DY797541 [1,0,0,0,1,0|1,0,0]=3 96 B11R1.91 CC(O)CCC1=CC=CC=C1 DY746761 [1,0,0,0,1,0|1,0,1]=4 97 B11R1.36 CC(Br)C(=O)C1=CC=NC=C1 DY716660 [0,0,0,0,2,0|2,0,0]=4 98 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 DY662080 [0,0,0,0,2,0|1,0,0]=3 99 B11R1.36 CC(C)C(O)c1ccccc1 DY822221 [0,0,0,0,2,0|0,0,2]=4 100 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 DY567369 [0,0,0,0,2,0|1,0,1]=4 101 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 DY625015 [0,0,0,0,2,0|0,0,2]=4 102 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 DY789267 [0,0,0,0,2,0|1,0,0]=3 103 B11R1.36 O=C(C1=CC=CC=C1)C(F)F DY552861 [0,0,0,0,2,0|2,0,0]=4