0 B14R1.609 CCNC(=O)CCNCC1=CC=CO1 MCULE-6886660635 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.609 CCOC(=O)CCCCC1=CSC=C1 MCULE-8263565426 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.609 CCOC(=O)CCCCN1C=CC=N1 MCULE-8581894693 [0,0,0,0,0,0|3,0,0]=3 3 B14R1.609 CCOC(=O)CCNCC1=CC=CO1 MCULE-4804435189 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.609 CCOC(=O)CCNCC1=CC=CS1 MCULE-8083486184 [0,0,0,0,0,0|1,1,0]=2 5 B14R1.609 CCOC(=O)CCNCC1=CC=CS1 MCULE-9336953232 [0,0,0,0,0,0|1,1,0]=2 6 B14R1.609 CCOC(=O)CCSCC1=CC=CO1 MCULE-3636590235 [0,0,0,0,0,0|0,0,0]=0 7 B13R1.119 CCCCCCCCC1=CC=CO1 MCULE-8515332267 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.119 CCCCCCNCC1=CC=CO1 MCULE-6338966069 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.119 CCNCCCNCC1=CC=CO1 MCULE-6693132593 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.119 CCOCCCNCC1=CC=CO1 MCULE-2865480551 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.536 CNC(=O)CCNCC1=CC=CO1 MCULE-4512693002 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.536 COC(=O)CCNCC1=CC=CO1 MCULE-1495683913 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.536 COC(=O)CCNCC1=CC=CS1 MCULE-1611849777 [1,0,0,0,0,0|1,1,0]=3 14 B13R1.536 COC(=O)CCSCC1=CC=CO1 MCULE-8379747102 [1,0,0,0,0,0|0,0,0]=1 15 B15R1.777 CCOC(=O)NCCCC1=CC(=NO1)C MCULE-8543694084 [0,1,0,0,0,0|3,0,0]=4 16 B15R1.794 CCOC(=O)CCCC(=O)C1=CC=CS1 MCULE-1297660263 [0,1,0,0,0,0|1,1,1]=4 17 B15R1.794 CCOC(=O)CCNC(=O)C1=CC=CN1 MCULE-3258574667 [0,1,0,0,0,0|2,0,1]=4 18 B15R1.794 CCOC(=O)CCNC(=O)C1=CC=CO1 MCULE-8390511704 [0,1,0,0,0,0|1,0,1]=3 19 B15R1.1284 CCOC(=O)NC(=S)NCC1=CC=CO1 MCULE-2082498659 [0,1,0,0,0,0|2,0,1]=4 20 B13R0.367 CCOC(=O)CCSCC(=O)OCC MCULE-8838332225 [0,0,1,0,0,0|1,0,2]=4 21 B15R2.17340 CCOC(=O)C1CCCC2=C1C=NN2 MCULE-2904671850 [0,0,0,1,0,0|3,0,0]=4 22 B15R2.17340 CCOC(=O)C1CCCC2=C1C=NN2 MCULE-6666519807 [0,0,0,1,0,0|3,0,0]=4 23 B15R2.17340 CCOC(=O)C1CCCC2=CN=CN12 MCULE-2220011997 [0,0,0,1,0,0|3,0,0]=4 24 B15R2.17340 CCOC(=O)C1NCCC2=C1C=CO2 MCULE-2788968220 [0,0,0,1,0,0|2,0,0]=3 25 B15R2.17340 CCOC(=O)C1NCCC2=C1C=CO2 MCULE-3689478577 [0,0,0,1,0,0|2,0,0]=3 26 B13R1.404 CCOC(=O)CCCC1=CSC=C1 MCULE-6638852506 [0,0,0,0,1,0|2,0,0]=3 27 B13R1.404 CCOC(=O)CCCN1C=CC=N1 MCULE-3906050332 [0,0,0,0,1,0|2,0,0]=3 28 B13R1.404 CCOC(=O)CCCN1C=CN=N1 MCULE-2260248611 [0,0,0,0,1,0|3,0,0]=4 29 B13R1.404 CCOC(=O)CCSC1=CN=NS1 MCULE-6327688250 [0,0,0,0,1,0|2,1,0]=4 30 B13R1.404 CCOC(=O)CNCC1=CSC=C1 MCULE-9906090691 [0,0,0,0,1,0|3,0,0]=4 31 B13R1.404 CCOC(=O)NCCC1=COC=C1 MCULE-9754005696 [0,0,0,0,1,0|3,0,0]=4 32 B13R1.404 CCOC(=O)NCCC1=CSC=C1 MCULE-4842632837 [0,0,0,0,1,0|3,0,0]=4 33 B13R1.404 CCOC(=O)NN=CC1=CC=CO1 MCULE-1002028036 [0,0,0,0,1,0|2,0,1]=4 34 B15R1.778 CCNC(=O)CCNCC1=CC=CC=C1 MCULE-7384218816 [0,0,0,0,0,1|3,0,0]=4 35 B15R1.778 CCNC(=O)CCNCC1=CN=CC=C1 MCULE-2338820345 [0,0,0,0,0,1|3,0,0]=4 36 B15R1.778 CCOC(=O)CCC=CC1=CC=CC=C1 MCULE-2164820661 [0,0,0,0,0,1|2,0,1]=4 37 B15R1.778 CCOC(=O)CCCOC1=CC=CC=C1 MCULE-3458801009 [0,0,0,0,0,1|3,0,0]=4 38 B15R1.778 CCOC(=O)CCCSC1=CC=CC=C1 MCULE-6184424526 [0,0,0,0,0,1|3,0,0]=4 39 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 MCULE-3672736213 [0,0,0,0,0,1|2,0,0]=3 40 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 MCULE-6941669148 [0,0,0,0,0,1|2,0,0]=3 41 B15R1.778 CCOC(=O)CCNCC1=CC=CC=N1 MCULE-4492276090 [0,0,0,0,0,1|2,0,0]=3 42 B15R1.778 CCOC(=O)CCNCC1=CC=NC=C1 MCULE-1688583663 [0,0,0,0,0,1|2,0,0]=3 43 B15R1.778 CCOC(=O)CCNCC1=CN=CC=C1 MCULE-3096190714 [0,0,0,0,0,1|2,0,0]=3 44 B15R1.778 CCOC(=O)CCOCC1=CC=CC=C1 MCULE-8539996750 [0,0,0,0,0,1|1,1,0]=3 45 B15R1.778 CCOC(=O)CNCCC1=CC=CC=C1 MCULE-1414015284 [0,0,0,0,0,1|3,0,0]=4 46 B15R1.778 CCOC(=O)CNOCC1=CC=CC=C1 MCULE-3940299914 [0,0,0,0,0,1|2,1,0]=4 47 B15R1.778 CCOC(=O)NCCCC1=CC=CC=C1 MCULE-1375561311 [0,0,0,0,0,1|3,0,0]=4 48 B15R1.795 CCOC(=O)CCCCCC1=CSC=C1 MCULE-2053495925 [0,0,0,0,0,1|3,0,0]=4 49 B12R0.276 CCOC(=O)CCSCC(=O)OC MCULE-1442449441 [1,0,1,0,0,0|1,0,1]=4 50 B12R1.37 CCCCCCCC1=CC=CO1 MCULE-4055197722 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.37 COCCCNCC1=CC=CO1 MCULE-8670337000 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.37 COCCCNCC1=CC=CO1 MCULE-9438824002 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.255 NC(=O)CCNCC1=CC=CO1 MCULE-2092426602 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.255 NC(=O)CCNCC1=CC=CO1 MCULE-8839298113 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.255 O=C(O)C=CSCC1=CC=CO1 MCULE-4132561770 [2,0,0,0,0,0|0,0,2]=4 56 B12R1.255 O=C(O)CCCCC1=CC=CS1 MCULE-4561100672 [2,0,0,0,0,0|1,1,0]=4 57 B14R1.427 CC(C)OCCCNCC1=CC=CO1 MCULE-9110015002 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.588 COC(=O)CC(C)NCC1=CC=CO1 MCULE-8398757942 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.588 COC(=O)CC(C)NCC1=CC=CS1 MCULE-2430329206 [1,1,0,0,0,0|1,1,0]=4 60 B14R1.986 COC(=O)C(C)CNCC1=CC=CO1 MCULE-5222621273 [1,1,0,0,0,0|1,0,0]=3 61 B14R1.986 COC(=O)C(C)CNCC1=CC=CS1 MCULE-2427867389 [1,1,0,0,0,0|1,1,0]=4 62 B14R1.100 CCOC(=O)CCC(=O)C1=CC=CS1 MCULE-2563536258 [0,1,0,0,1,0|0,1,1]=4 63 B14R1.100 CCOC(=O)CNC(=O)C1=CC=CO1 MCULE-1752748170 [0,1,0,0,1,0|1,0,1]=4 64 B14R1.519 CCOC(=O)CCCN1C=C(C=N1)O MCULE-9061787303 [0,1,0,0,1,0|2,0,0]=4 65 B14R1.519 CCOC(=O)CCCN1C=CC(=N1)C MCULE-7896019396 [0,1,0,0,1,0|2,0,0]=4 66 B14R1.519 CCOC(=O)CSCC1=CN=C(S1)Cl MCULE-7502135941 [0,1,0,0,1,0|1,1,0]=4 67 B14R1.621 CCOC(=O)CC(=O)CC1=CC=CS1 MCULE-9526166631 [0,1,0,0,1,0|0,1,1]=4 68 B14R1.633 CCOC(=O)C(=O)NCC1=CC=CO1 MCULE-6052011430 [0,1,0,0,1,0|1,0,1]=4 69 B14R1.633 CCOC(=O)[C@H](C)NCC1=CC=CO1 MCULE-2983509086 [0,1,0,0,1,0|1,0,0]=3 70 B14R1.948 CCOC(=O)CCCN1N=CC=C1C MCULE-3354328401 [0,1,0,0,1,0|2,0,0]=4 71 B14R1.6454 CC(C)NC(=O)CNCC1=CC=CO1 MCULE-4962910780 [0,1,0,0,1,0|2,0,0]=4 72 B16R1.9 CCOC(=O)CCNCC1=CC=C(C=C1)C MCULE-1035469354 [0,1,0,0,0,1|2,0,0]=4 73 B16R1.9 CCOC(=O)CCNCC1=CC=C(C=C1)Cl MCULE-6075767238 [0,1,0,0,0,1|2,0,0]=4 74 B16R1.9 CCOC(=O)CCNCC1=CC=C(C=C1)F MCULE-8399360720 [0,1,0,0,0,1|2,0,0]=4 75 B16R1.889 CCOC(=O)CCNCC1=C(C=CC=C1)Cl MCULE-8890034326 [0,1,0,0,0,1|2,0,0]=4 76 B16R1.889 CCOC(=O)CCNCC1=C(C=CC=C1)Cl MCULE-9758374620 [0,1,0,0,0,1|2,0,0]=4 77 B16R1.905 CCOC(=O)CCCCC1=CC(=CC=C1)O MCULE-7155592299 [0,1,0,0,0,1|2,0,0]=4 78 B16R1.929 CCOC(=O)CCNC(C)C1=CC=CC=C1 MCULE-5847894812 [0,1,0,0,0,1|2,0,0]=4 79 B16R1.934 CCOC(=O)CCC(=O)CC1=CC=CC=C1 MCULE-3275903950 [0,1,0,0,0,1|2,0,0]=4 80 B16R1.934 CCOC(=O)CCN(C)CC1=CC=CC=C1 MCULE-4650090897 [0,1,0,0,0,1|2,0,0]=4 81 B16R1.1570 CCOC(=O)CC(C)NCC1=CC=CC=C1 MCULE-6609038790 [0,1,0,0,0,1|2,0,0]=4 82 B16R1.14049 CCOC(=O)C(C)CNCC1=CC=CC=C1 MCULE-6606779396 [0,1,0,0,0,1|2,0,0]=4 83 B16R1.14049 CCOC(=O)C(N)CSCC1=CC=CC=C1 MCULE-2820073630 [0,1,0,0,0,1|1,0,0]=3 84 B16R1.14049 CCOC(=O)C(N)CSCC1=CC=CC=C1 MCULE-4491010391 [0,1,0,0,0,1|1,0,0]=3 85 B16R1.14049 CCOC(=O)C(O)CCCC1=CC=CC=C1 MCULE-5165464907 [0,1,0,0,0,1|2,0,0]=4 86 B16R1.14049 CCOC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-2427076026 [0,1,0,0,0,1|1,0,0]=3 87 B16R1.14049 CCOC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-2845794540 [0,1,0,0,0,1|1,0,0]=3 88 B16R1.14049 CCOC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-4390225367 [0,1,0,0,0,1|1,0,0]=3 89 B16R1.14049 CCOC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-5665656828 [0,1,0,0,0,1|1,0,0]=3 90 B16R1.13680 CCOC(=O)CNC(=O)NCC1=CC=CO1 MCULE-4333617976 [0,1,0,0,0,1|1,0,1]=4 91 B16R1.1481 CCOCC(=O)NCCC(O)C1=CC=CO1 MCULE-5581938092 [0,2,0,0,0,0|2,0,0]=4 92 B16R1.2183 CCOC(=O)NCC(C)(O)CC1=CC=CO1 MCULE-8034831091 [0,2,0,0,0,0|2,0,0]=4 93 B16R1.59025 CC(C)(C)OC(=O)CCNCC1=CC=CO1 MCULE-6740630939 [0,2,0,0,0,0|1,0,0]=3 94 B16R1.59025 CC(C)(C)OC(=O)CCNCC1=CC=CS1 MCULE-5888610959 [0,2,0,0,0,0|1,1,0]=4 95 B14R1.520 CCOC(=O)CCSC1=CC=CC=N1 MCULE-9865998465 [0,0,1,1,0,0|1,0,1]=4 96 B14R1.598 CCOC(=O)CCC1=C(C=CC=C1)O MCULE-1783219283 [0,0,1,1,0,0|1,0,1]=4 97 B14R1.32 CCOC(=O)CCC1=CC=CC(=C1)O MCULE-5623006284 [0,0,1,1,0,0|1,0,1]=4 98 B14R2.72 O=C1CCN(CC1)CC2=CC=CO2 MCULE-8771965628 [1,0,0,1,0,0|1,0,0]=3 99 B14R2.9811 CCOC(=O)C1CC1C2=NN=CO2 MCULE-8309907803 [0,0,0,1,1,0|2,0,0]=4 100 B16R2.5 CCOC(=O)CC1CCC2=C1C=CC=C2 MCULE-9088404213 [0,0,0,1,0,1|2,0,0]=4 101 B16R2.725 CCOC(=O)C1CC1CC2=CC=CC=C2 MCULE-9432163689 [0,0,0,1,0,1|2,0,0]=4 102 B16R2.725 CCOC(=O)C1CN1CC2=CC=CC=C2 MCULE-1876939885 [0,0,0,1,0,1|2,0,0]=4 103 B16R2.725 CCOC(=O)C1CN1CC2=CC=CN=C2 MCULE-2318774954 [0,0,0,1,0,1|2,0,0]=4 104 B16R2.3250 O=C1OCCC1COCC2=CC=CC=C2 MCULE-2057771610 [0,0,0,1,0,1|1,1,0]=4 105 B16R2.160202 CCOC(=O)C1CCCC2=C1C=CC=C2 MCULE-7976363439 [0,0,0,1,0,1|2,0,0]=4 106 B16R2.160202 CCOC(=O)C1CCCC2=C1N=CC=C2 MCULE-3106040726 [0,0,0,1,0,1|2,0,0]=4 107 B16R2.160202 CCOC(=O)C1CNCC2=C1C=CC=C2 MCULE-5735732315 [0,0,0,1,0,1|2,0,0]=4 108 B16R2.29551 CCOC(=O)/C=C\1/CCCC2=C1C=CO2 MCULE-6566937387 [0,0,0,1,0,1|1,0,1]=4 109 B16R2.29551 CCOC(=O)C=C1CCCC2=C1C=CO2 MCULE-9377374950 [0,0,0,1,0,1|1,0,1]=4 110 B16R2.29551 CCOC(=O)CC1NCCC2=C1C=CN2 MCULE-9523371648 [0,0,0,1,0,1|2,0,0]=4 111 B16R2.147079 O=C(NCCSCC1=CC=CO1)C2CC2 MCULE-4533881544 [0,0,0,1,0,1|1,0,0]=3 112 B16R2.12287 CC1C(=O)CCN(C1C)CC2=CC=CO2 MCULE-6452944441 [0,1,0,1,0,0|2,0,0]=4 113 B16R2.12287 CC1C(=O)CCN(C1C)CC2=CC=CO2 MCULE-7543392795 [0,1,0,1,0,0|2,0,0]=4 114 B12R1.477 CCC(=O)CCCN1C=CC=N1 MCULE-1221093982 [1,0,0,0,1,0|2,0,0]=4 115 B12R1.477 COC(=O)CCCC1=CC=CS1 MCULE-3161147946 [1,0,0,0,1,0|0,1,0]=3 116 B12R1.477 COC(=O)CCCC1=NC=CS1 MCULE-7553542444 [1,0,0,0,1,0|1,1,0]=4 117 B12R1.477 COC(=O)CNCC1=CC=CO1 MCULE-5205560770 [1,0,0,0,1,0|1,0,0]=3 118 B12R1.477 COC(=O)CSCC1=CC=CO1 MCULE-9164054977 [1,0,0,0,1,0|0,0,0]=2 119 B12R1.477 COC(=O)CSCC1=CC=CS1 MCULE-6068594204 [1,0,0,0,1,0|0,1,0]=3 120 B12R1.51 CCNC(=O)NCC1=CC=CO1 MCULE-6559693536 [0,0,0,0,2,0|2,0,0]=4 121 B12R1.51 CCOC(=O)/C=C/C1=CC=CO1 MCULE-7171775414 [0,0,0,0,2,0|0,0,2]=4 122 B12R1.51 CCOC(=O)C=CC1=CC=CO1 MCULE-9891032976 [0,0,0,0,2,0|0,0,2]=4 123 B12R1.51 CCOC(=O)CCC1=CC=CN1 MCULE-8213228851 [0,0,0,0,2,0|1,0,0]=3 124 B12R1.51 CCOC(=O)CCC1=CC=CO1 MCULE-5340258921 [0,0,0,0,2,0|0,0,0]=2 125 B12R1.51 CCOC(=O)CCC1=CN=CN1 MCULE-1044047592 [0,0,0,0,2,0|2,0,0]=4 126 B12R1.51 CCOC(=O)CCC1=CSC=C1 MCULE-9147091846 [0,0,0,0,2,0|2,0,0]=4 127 B12R1.51 CCOC(=O)CCC1=NC=CN1 MCULE-3630260872 [0,0,0,0,2,0|2,0,0]=4 128 B12R1.51 CCOC(=O)CCN1C=CC=N1 MCULE-4471423088 [0,0,0,0,2,0|2,0,0]=4 129 B14R1.716 CNC(=O)CCSCC1=CC=CC=C1 MCULE-4399500228 [1,0,0,0,0,1|2,0,0]=4 130 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 MCULE-3768861727 [1,0,0,0,0,1|2,0,0]=4 131 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 MCULE-3104170816 [1,0,0,0,0,1|2,0,0]=4 132 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 MCULE-5744013357 [1,0,0,0,0,1|2,0,0]=4 133 B14R1.716 COC(=O)CCNCC1=CC=NC=C1 MCULE-1951594374 [1,0,0,0,0,1|2,0,0]=4 134 B14R1.716 COC(=O)CCNCC1=CN=CC=C1 MCULE-6097261852 [1,0,0,0,0,1|2,0,0]=4 135 B14R1.716 COC(=O)CCNCC1=NC=CC=C1 MCULE-9343013756 [1,0,0,0,0,1|2,0,0]=4 136 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 MCULE-4062318692 [1,0,0,0,0,1|1,1,0]=4 137 B16R1.932 CCOC(=O)CCCNCC1=CC=CC=C1 MCULE-5887999939 [0,0,0,0,0,2|2,0,0]=4 138 B16R1.932 CCOC(=O)CCCOCC1=CC=CC=C1 MCULE-7664848750 [0,0,0,0,0,2|1,1,0]=4 139 B16R1.932 CCOC(=O)CCNCCC1=CC=CC=C1 MCULE-9517496871 [0,0,0,0,0,2|2,0,0]=4