0 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 11299 [1,0,0,0,0,0|1,0,1]=3 1 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 30609 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 D78507 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 N10791 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.674 C=CCNC(=O)C1=C(N)C=CC=C1 D82234 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.674 CCCOC(=O)C1=C(O)C=CC=C1 D85924 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.674 NCCNC(=O)C1=C(O)C=CC=C1 D85723 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.7474 CC1(C)COC(C2=C(Br)C=CC=C2)=N1 AB3190 [0,0,0,1,0,0|2,0,0]=3 8 B15R2.7474 CC1(C)COC(C2=C(Cl)C=CC=C2)=N1 AB3560 [0,0,0,1,0,0|2,0,0]=3 9 B15R2.7474 CC1(C)COC(C2=C(F)C=CC=C2)=N1 AB3813 [0,0,0,1,0,0|2,0,0]=3 10 B15R2.7474 CC1=C(C2=NC(C)(C)CO2)C=CC=C1 AB3655 [0,0,0,1,0,0|2,0,0]=3 11 B13R1.201 CC(=O)CC(=O)C1=C(Cl)C=CC=C1 D95024 [0,0,0,0,1,0|2,0,1]=4 12 B13R1.201 CC(C)NC(=O)C1=C(Br)C=CC=C1 D81696 [0,0,0,0,1,0|2,0,0]=3 13 B13R1.201 CC(C)OC(=O)C1=C(O)C=CC=C1 D92211 [0,0,0,0,1,0|1,0,0]=2 14 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 D88886 [2,0,0,0,0,0|0,0,2]=4 15 B12R1.30 CC=NOC(=O)C1=CC=CC=C1 D88206 [2,0,0,0,0,0|1,0,1]=4 16 B12R1.30 CCCCC(=O)C1=CC=CC=C1 AC8072 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.30 CCCNC(=O)C1=CN=CC=C1 D83800 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.30 CCCOC(=O)C1=CC=CC=C1 D70394 [2,0,0,0,0,0|0,0,0]=2 19 B12R1.30 CNCCC(=O)C1=CC=CC=C1 C74316 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.30 O=C(OCCBr)C1=CC=CC=C1 A11417 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 75520 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.252 CC(C)CNCC1=CC=CC=C1 71268 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11414 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11416 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 C72530 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 D86507 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 71283 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 71322 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 28538 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.308 CCOC(=O)C1=C(Br)C=CC=N1 W17171 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 D97313 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 76536 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 AB3749 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 AC8527 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.308 CCOC(=O)C1=C(Cl)C=NC=C1 F16293 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 AC7853 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.308 CCOC(=O)C1=C(F)C=CC=N1 AC2313 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 D70261 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.308 CCOC(=O)C1=C(N)C=CC=C1 H11236 [2,0,0,0,0,0|0,0,0]=2 40 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 60880 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 CL0048 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.308 CCOC(=O)C1=C(N)N=CN=C1 30596 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.308 CCOC(=O)C1=C(O)C=CC=C1 D70269 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl FD9099 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.308 CCOC(=O)C1=NC=CC=C1N 23567 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.308 CCOC(=O)C1=NC=CC=C1O D70625 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.308 O=C(CCCl)C1=C(O)C=CC=C1 AC5995 [2,0,0,0,0,0|2,0,0]=4 48 B14R1.540 CC(C)C\C=C(\C=O)C1=CC=CC=C1 D70128 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.678 CC(C)COC(=O)C1=CC=C(O)C=C1 42673 [1,1,0,0,0,0|0,0,0]=2 50 B14R1.678 CN(C)CCC(=O)C1=CC=C(Br)C=C1 C16580 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.1035 CCCCOC(=O)C1=C(N)C=CC=C1 D88268 [1,1,0,0,0,0|0,0,0]=2 52 B14R1.2523 CCCCC(=O)C1=C(Cl)C=C(Cl)C=C1 D90180 [1,1,0,0,0,0|2,0,0]=4 53 B14R1.2523 CCCOC(=O)C1=C(Cl)C=C(Cl)C=C1 D94077 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.4451 CC(C)(C)NC(=O)C1=C(Cl)C=CC=C1 83396 [0,1,0,0,1,0|2,0,0]=4 55 B14R1.4451 CC(C)(C)NC(=O)C1=C(I)C=CC=C1 D85852 [0,1,0,0,1,0|2,0,0]=4 56 B14R1.4451 CC(C)(C)OC(=O)C1=C(Br)C=CC=C1 AB3324 [0,1,0,0,1,0|1,0,0]=3 57 B14R1.4451 CC(C)(C)OC(=O)C1=C(Br)C=CC=N1 C72065 [0,1,0,0,1,0|2,0,0]=4 58 B14R1.4451 CC(C)(C)OC(=O)C1=CC=CN=C1Br P16329 [0,1,0,0,1,0|2,0,0]=4 59 B14R1.6048 CC(C)OC(=O)C1=NC=C(Br)C=C1N 38030 [0,1,0,0,1,0|1,0,0]=3 60 B14R1.6052 CC(C)NC(=O)C1=C(Cl)C=CC(Br)=C1 D82553 [0,1,0,0,1,0|2,0,0]=4 61 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 D91903 [0,0,1,1,0,0|1,0,1]=4 62 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 48447 [1,0,0,1,0,0|1,0,0]=3 63 B14R2.44 CCC[C@H]1CC2=C(C=CC=C2)C1=O D84138 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.4633 NC1=C(C(=O)NC2CC2)C=CC=C1 W11447 [1,0,0,1,0,0|1,0,0]=3 65 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 60386 [0,0,0,1,1,0|2,0,0]=4 66 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)O1 60203 [0,0,0,1,1,0|1,0,0]=3 67 B14R2.29496 CC1(C)NC(=O)C2=C(C=CC=C2)O1 71248 [0,0,0,1,1,0|2,0,0]=4 68 B14R2.29496 CC1=CC(C)(C)NC2=C1C=CC=C2 A10817 [0,0,0,1,1,0|1,0,1]=4 69 B14R2.29496 CC1=CC(C)(C)NC2=C1C=CC=C2 D70537 [0,0,0,1,1,0|1,0,1]=4 70 B16R2.477 CC(C)COC1=CC2=CC=CC=C2C=C1 D97688 [0,0,0,1,0,1|2,0,0]=4 71 B16R2.7896 COC1=C(C2=NC(C)(C)CO2)C=CC=C1 AB3667 [0,1,0,1,0,0|2,0,0]=4 72 B16R2.25802 CC1(C)COC(C2=C(F)C=CC=C2F)=N1 AC6562 [0,1,0,1,0,0|2,0,0]=4 73 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 77874 [1,0,0,0,1,0|1,0,1]=4 74 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 D91120 [1,0,0,0,1,0|0,0,0]=2 75 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 D88597 [1,0,0,0,1,0|0,0,0]=2 76 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 T70641 [1,0,0,0,1,0|1,0,0]=3 77 B12R1.125 CC(C)CSC1=C(N)C=CC=C1 W16044 [1,0,0,0,1,0|0,1,0]=3 78 B12R1.124 CC1=C(C(=O)N(C)C)C=CC=C1 D84400 [0,0,0,0,2,0|2,0,0]=4 79 B12R1.124 CN(C)C(=O)C1=C(N)C=CC=C1 A50814 [0,0,0,0,2,0|1,0,0]=3 80 B12R1.124 C[C@H](Br)C(=O)C1=C(Cl)C=CC=C1 AC1537 [0,0,0,0,2,0|2,0,0]=4 81 B14R1.420 CC(C)=CCOC(=O)C1=CC=CC=C1 D88803 [1,0,0,0,0,1|0,0,1]=3 82 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 F20965 [1,0,0,0,0,1|1,0,0]=3