0 B16R2.1054 CCCCC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-8655182312 [0,0,0,0,0,0|2,0,2]=4 1 B16R2.1054 CCCSC1=NC2=C(C=CC=C2)C(=O)N1 MCULE-4027521602 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.352 CCCCC1=CC=C2C=CC=CC2=C1 MCULE-5002783646 [1,0,0,0,0,0|1,0,2]=4 3 B15R2.352 CCCOC1=CC2=C(C=CC=C2)C=C1 MCULE-1624753627 [1,0,0,0,0,0|2,0,1]=4 4 B15R2.352 CCNCC1=CC2=C(C=CC=C2)C=C1 MCULE-3237873752 [1,0,0,0,0,0|2,0,1]=4 5 B15R2.352 CCSCC1=CC=C2C=CC=CC2=C1 MCULE-5022913542 [1,0,0,0,0,0|2,0,1]=4 6 B15R2.886 CCCC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-9033111852 [1,0,0,0,0,0|2,0,1]=4 7 B15R2.886 CCCC1=NC2=C(C=CC=C2)C(=O)N1 MCULE-9881361109 [1,0,0,0,0,0|2,0,1]=4 8 B15R2.886 CCCC1=NC2=C(C=CC=C2)C(=O)O1 MCULE-7435970583 [1,0,0,0,0,0|1,0,1]=3 9 B17R2.12072 CC=CC=CC1=NC2=CC=CC=C2C(=O)O1 MCULE-1528848242 [0,1,0,0,0,0|1,0,1]=3 10 B17R2.40403 CC(C)COC1=NC2=C(C=CC=C2)C(=O)O1 MCULE-8754983213 [0,1,0,0,0,0|2,0,1]=4 11 B17R2.40403 CC(C)COC1=[NH+]C2=C(C=CC=C2)C(=O)O1 MCULE-9055487367 [0,1,0,0,0,0|2,0,1]=4 12 B17R2.49938 CCNC(=O)C1=NC2=CC=CC=C2C(=O)N1 MCULE-3756673201 [0,1,0,0,0,0|3,0,0]=4 13 B17R2.49938 CCOC(=O)C1=CC(=C2C=CC=CC2=C1)O MCULE-8368669409 [0,1,0,0,0,0|2,0,1]=4 14 B17R2.49938 CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2 MCULE-6263079623 [0,1,0,0,0,0|3,0,0]=4 15 B17R2.49938 CCOC(=O)C1=CC(=O)C2=CC=CC=C2N1 MCULE-4422178179 [0,1,0,0,0,0|3,0,0]=4 16 B17R2.49938 CCOC(=O)C1=CC2=C(C=CC=C2)C(=N1)Br MCULE-6259211904 [0,1,0,0,0,0|3,0,0]=4 17 B17R2.49938 CCOC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 MCULE-2176407047 [0,1,0,0,0,0|2,0,0]=3 18 B17R2.49938 CCOC(=O)C1=CC2=C(C=NC=C2)C(=O)O1 MCULE-1706279699 [0,1,0,0,0,0|2,0,0]=3 19 B17R2.49938 CCOC(=O)C1=CC2=CC=CC=C2C(=O)S1 MCULE-9285190839 [0,1,0,0,0,0|1,1,0]=3 20 B17R2.49938 CCOC(=O)C1CC2=C(C=CC=C2)C(=O)O1 MCULE-9844287193 [0,1,0,0,0,0|1,0,2]=4 21 B17R2.49938 CCSC(=O)C1=CC(=O)C2=C(O1)C=CC=C2 MCULE-4572872169 [0,1,0,0,0,0|3,0,0]=4 22 B17R3.54615 O=C1NC2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-7620392745 [0,0,0,1,0,0|1,0,2]=4 23 B17R3.54615 O=C1OC2=C(C=CC=C2)C3=CC=CC=C13 MCULE-2825758570 [0,0,0,1,0,0|0,0,2]=3 24 B17R3.54615 O=C1OC2=CC=CC=C2C3=C1N=CC=C3 MCULE-9883320660 [0,0,0,1,0,0|1,0,2]=4 25 B17R3.54615 O=P1OC2=CC=CC=C2C3=CC=CC=C13 MCULE-9955084655 [0,0,0,1,0,0|1,0,2]=4 26 B17R3.54615 O=S1OC2=CC=CC=C2C3=CC=CC=C13 MCULE-8065539176 [0,0,0,1,0,0|1,0,2]=4 27 B15R2.1428 CCC/C=C/1\OC(=O)C2=C1CCC=C2 MCULE-9396904824 [0,0,0,0,1,0|0,0,3]=4 28 B15R2.1428 CCC/C=C/1\OC(=O)C2=CC=CC=C12 MCULE-8062597919 [0,0,0,0,1,0|0,0,1]=2 29 B15R2.1428 CCCC=C1OC(=O)C2=C1C=CC=C2 MCULE-6613339699 [0,0,0,0,1,0|0,0,1]=2 30 B15R2.1428 CCCC=C1OC(=O)C2=C1CCC=C2 MCULE-1530856577 [0,0,0,0,1,0|0,0,3]=4 31 B15R2.1428 CCCCC1OC(=O)C2=C1C=CC=C2 MCULE-8188120065 [0,0,0,0,1,0|0,0,3]=4 32 B15R2.1428 CCCC[C@@H]1OC(=O)C2=C1C=CC=C2 MCULE-9593712244 [0,0,0,0,1,0|0,0,3]=4 33 B15R2.1428 CCCC[C@@H]1OC(=O)C2=CC=CC=C12 MCULE-7144582199 [0,0,0,0,1,0|0,0,3]=4 34 B15R2.1428 CCCOC1OC(=O)C2=C1C=CC=C2 MCULE-5925421279 [0,0,0,0,1,0|1,0,2]=4 35 B14R1.467 CCCCC(=CC1=CC=CC=C1)C=O MCULE-4768541536 [1,0,1,0,0,0|0,0,2]=4 36 B14R2.112 CCCC1=CC=C2C=CC=CC2=C1 MCULE-1688232916 [2,0,0,0,0,0|1,0,1]=4 37 B14R2.112 CCNC1=CC2=C(C=CC=C2)C=C1 MCULE-3339632844 [2,0,0,0,0,0|2,0,0]=4 38 B14R2.112 CCNC1=CC=C2C=CC=CC2=C1 MCULE-1702719021 [2,0,0,0,0,0|2,0,0]=4 39 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 MCULE-4517434071 [2,0,0,0,0,0|2,0,0]=4 40 B14R2.112 CCSC1=CC=C2C=CC=CC2=C1 MCULE-3302763855 [2,0,0,0,0,0|2,0,0]=4 41 B14R2.1019 C=CC1=NC2=C(C=CC=C2)C(=O)N1 MCULE-5404506867 [2,0,0,0,0,0|2,0,0]=4 42 B14R2.1019 CCC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-4334421068 [2,0,0,0,0,0|2,0,0]=4 43 B14R2.1019 CCC1=CC(=O)C2=C(O1)C=CC=C2 MCULE-6362192628 [2,0,0,0,0,0|2,0,0]=4 44 B14R2.1019 CCC1=NC2=CC=CC=C2C(=O)N1 MCULE-5880921845 [2,0,0,0,0,0|2,0,0]=4 45 B14R2.1019 CCC1=NC2=CC=CC=C2C(=O)O1 MCULE-8407230744 [2,0,0,0,0,0|1,0,0]=3 46 B14R2.1019 COC1=CC2=CC=CC=C2C(=O)N1 MCULE-2934526703 [2,0,0,0,0,0|2,0,0]=4 47 B16R1.912 C=C(NC(=O)C1=CC=CC=C1)C(=O)OCC MCULE-1758085664 [0,1,1,0,0,0|2,0,0]=4 48 B16R1.7596 CC/C=C\CCOC(=O)C1=CC=CC=C1O MCULE-7314314710 [0,1,1,0,0,0|1,0,1]=4 49 B16R1.7596 CCC=CCCOC(=O)C1=CC=CC=C1O MCULE-2553231527 [0,1,1,0,0,0|1,0,1]=4 50 B16R2.477 C[C@H](O)C=CC1=CC=C2C=CC=CC2=N1 MCULE-8996615417 [1,1,0,0,0,0|2,0,0]=4 51 B16R2.767 CC=CC(=O)C1=CC=C2C=CC=CC2=C1 MCULE-2061377041 [1,1,0,0,0,0|1,0,1]=4 52 B16R2.767 CCCC(=O)C1=CC=C2C=CC=CC2=C1 MCULE-4268981587 [1,1,0,0,0,0|1,0,1]=4 53 B16R2.767 CCOC(=O)C1=CC2=C(C=CC=C2)C=C1 MCULE-5149009039 [1,1,0,0,0,0|2,0,0]=4 54 B16R2.767 CCOC(=O)C1=CC2=C(C=CC=C2)C=N1 MCULE-1102084502 [1,1,0,0,0,0|2,0,0]=4 55 B16R2.5347 CCC(=O)NC1=CC=C2C=CC=CC2=C1 MCULE-9133792299 [1,1,0,0,0,0|2,0,0]=4 56 B16R2.5347 CCC(=O)OC1=CC2=CC=CC=C2C=C1 MCULE-8698166051 [1,1,0,0,0,0|2,0,0]=4 57 B16R2.21680 CCOC1=NC2=C(C=C(C=C2)C)C(=O)O1 MCULE-7865953792 [1,1,0,0,0,0|2,0,0]=4 58 B16R2.21692 CCOC1=CC(=O)C2=C(C1=O)C=CC=C2 MCULE-6446558931 [1,1,0,0,0,0|2,0,0]=4 59 B16R2.24933 CC(=O)CC1=NC2=CC=CC=C2C(=O)O1 MCULE-6954843699 [1,1,0,0,0,0|1,0,1]=4 60 B16R2.24933 CC(C)CC1=NC2=C(C=CC=C2)C(=O)O1 MCULE-4042904039 [1,1,0,0,0,0|1,0,1]=4 61 B16R2.33887 COC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 MCULE-5971318950 [1,1,0,0,0,0|2,0,0]=4 62 B16R2.33887 COC(=O)C1=CC2=CC=CC=C2C(=O)S1 MCULE-8067183244 [1,1,0,0,0,0|1,1,0]=4 63 B16R2.33887 COC(=O)C1=CC2=CC=CN=C2C(=O)O1 MCULE-2493354041 [1,1,0,0,0,0|2,0,0]=4 64 B16R2.2272 O=C1C(=CNCCO)NC2=C1C=CC=C2 MCULE-9572972390 [0,1,0,0,1,0|2,0,0]=4 65 B16R2.30052 CCOC=C1C(=O)C2=CC=CC=C2C1=O MCULE-5703781692 [0,1,0,0,1,0|1,0,0]=3 66 B16R2.30052 O=C1C(=CNCO)C(=O)C2=C1C=CC=C2 MCULE-1559501726 [0,1,0,0,1,0|2,0,0]=4 67 B16R2.33556 CCC(O)C=C1OC(=O)C2=C1C=CC=C2 MCULE-5633068260 [0,1,0,0,1,0|0,0,1]=3 68 B16R2.165527 CCC/C=C/1\OC(=O)C2=C1C=C(C=C2)O MCULE-4519920159 [0,1,0,0,1,0|0,0,1]=3 69 B16R2.165527 CCCC=C1OC(=O)C2=CC=C(C=C12)O MCULE-5810657322 [0,1,0,0,1,0|0,0,1]=3 70 B18R2.123715 O=C(NCCO)C1=CC2=CC=CC=C2C(=O)S1 MCULE-5702182375 [0,2,0,0,0,0|1,1,0]=4 71 B18R2.63528 CC(C)NC(=O)C1=CC2=C(C=CC=C2)C(=O)S1 MCULE-9999229495 [0,2,0,0,0,0|1,1,0]=4 72 B18R2.63528 CC(C)OC(=O)C1=CC2=CC=CC=C2C(=O)S1 MCULE-6710065564 [0,2,0,0,0,0|1,1,0]=4 73 B18R2.92602 CCCOC1=C(C2=CC=C(C=C2C(=O)O1)N)Cl MCULE-8202012434 [0,2,0,0,0,0|1,0,1]=4 74 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 MCULE-5606683828 [0,0,1,1,0,0|0,0,2]=4 75 B16R2.88 O=C(OC1=CN=CC=C1)C2=CC=CC=C2 MCULE-8762966179 [0,0,1,1,0,0|1,0,1]=4 76 B16R2.87 O=C(O)C1=C(C=CC=C1)C2=CC=CC=C2 MCULE-3327468892 [0,0,1,1,0,0|0,0,2]=4 77 B16R2.87 O=C(O)C1=C(C=CC=C1)C2=CC=CN=C2 MCULE-5721182678 [0,0,1,1,0,0|1,0,1]=4 78 B16R2.87 O=C(O)C1=CC=CC=C1C2=CCCCC2 MCULE-3960461141 [0,0,1,1,0,0|0,0,2]=4 79 B16R2.87 O=C(O)C1=CC=CC=C1C2=NC=CC=C2 MCULE-5923522481 [0,0,1,1,0,0|1,0,1]=4 80 B16R2.3033 CN1C=CN=C1C2=CC=CC=C2C(=O)O MCULE-5960765195 [0,0,1,1,0,0|2,0,0]=4 81 B16R2.36827 COC1=C2C=NC=C(C2=CC=C1)C(=O)O MCULE-9583656609 [0,0,1,1,0,0|2,0,0]=4 82 B16R2.36827 COC1=C2N=CC=C(C2=CC=C1)C(=O)O MCULE-1237906968 [0,0,1,1,0,0|2,0,0]=4 83 B16R2.36827 COC1=C2[NH+]=CC=C(C2=CC=C1)C(=O)O MCULE-2597434789 [0,0,1,1,0,0|2,0,0]=4 84 B16R2.36827 COC1=CC=CC2=C1C=CC=C2C(=O)O MCULE-2361312239 [0,0,1,1,0,0|1,0,0]=3 85 B16R2.36827 COC1=CC=CC2=C1C=CN=C2C(=O)O MCULE-4793387063 [0,0,1,1,0,0|2,0,0]=4 86 B16R2.36827 COC1=CC=NC2=C(C=CC=C12)C(=O)O MCULE-9259717492 [0,0,1,1,0,0|2,0,0]=4 87 B16R2.36827 N#CC1=CC=CC2=C1C=CC=C2C(=O)O MCULE-1218959334 [0,0,1,1,0,0|1,0,1]=4 88 B16R3.2754 O=C1C2=CC=CC=C2C=C3N1CCN3 MCULE-6451619165 [1,0,0,1,0,0|2,0,0]=4 89 B16R3.31922 O=C1OC(=NC2=CC=CC=C12)C3CC3 MCULE-9114689655 [1,0,0,1,0,0|1,0,1]=4 90 B16R3.20606 O=C1C2=C(C=CC=C2)C3=C1C=CC=N3 MCULE-6028510015 [0,0,0,1,1,0|1,0,1]=4 91 B16R3.20606 O=C1C2=C(C=CC=C2)C3=C1C=CN=C3 MCULE-9516576922 [0,0,0,1,1,0|1,0,1]=4 92 B16R3.20606 O=C1C2=CC=CC=C2C3=CC=CC=C13 MCULE-3341096841 [0,0,0,1,1,0|0,0,2]=4 93 B18R3.112707 O=C1OCC2=CC=CC=C2C3=CC=CC=C13 MCULE-9922171910 [0,0,0,1,0,1|0,0,2]=4 94 B18R3.93442 NC1=CC2=C(C=C1)OC(=O)C3=C2C=CC=C3 MCULE-9736426743 [0,1,0,1,0,0|0,0,2]=4 95 B18R3.4232 NC1=CC2=C(C=C1)C3=C(C=CC=C3)OC2=O MCULE-8941844385 [0,1,0,1,0,0|0,0,2]=4 96 B18R3.54014 O=C1OC2=C(C=CC(=C2)O)C3=C1C=CC=C3 MCULE-9038476232 [0,1,0,1,0,0|0,0,2]=4 97 B14R2.67 CCC=CB1OC2=CC=CC=C2O1 MCULE-6902945744 [1,0,0,0,1,0|2,0,0]=4 98 B14R2.67 CCCCC1=CC2=C(O1)C=CC=C2 MCULE-3407406765 [1,0,0,0,1,0|0,0,2]=4 99 B14R2.67 CCNCC1=CC2=C(O1)C=CC=C2 MCULE-2413219460 [1,0,0,0,1,0|1,0,1]=4 100 B14R2.67 CCNCC1=CC2=C(O1)C=CC=C2 MCULE-7060756126 [1,0,0,0,1,0|1,0,1]=4 101 B14R2.44 CNC=C1SC2=C(C1=O)C=CC=C2 MCULE-3734376775 [1,0,0,0,1,0|2,0,0]=4 102 B14R2.510 CC/C=C/1\OC(=O)C2=CC=CC=C12 MCULE-5752639722 [1,0,0,0,1,0|0,0,0]=2 103 B14R2.510 CCC=C1OC(=O)C2=CC=CC=C12 MCULE-5371579510 [1,0,0,0,1,0|0,0,0]=2 104 B14R2.510 CCOC1OC(=O)C2=C1C=CC=C2 MCULE-7262983965 [1,0,0,0,1,0|1,0,1]=4 105 B16R1.700 O=C(C=CCBr)OCC(=O)C1=CC=CC=C1 MCULE-1185805544 [0,0,1,0,0,1|2,0,0]=4