0 B19R3.9162 ClC1=C(C=CC=C1)CN2CCC3=C(C2)C=CS3 MCULE-3971692083 [0,0,0,0,0,0|0,0,0]=0 1 B19R3.9162 ClC1=CC=CC=C1C[NH+]2CCC3=C(C2)C=CS3 MCULE-3408481955 [0,0,0,0,0,0|0,0,1]=1 2 B18R3.12792 C1=CC=C(C=C1)CN2CCC3=C(C2)C=CN3 MCULE-2097537789 [1,0,0,0,0,0|1,0,0]=2 3 B18R3.12792 C1=CC=C(C=C1)CN2CCC3=C(C2)C=CS3 MCULE-2345398639 [1,0,0,0,0,0|0,0,0]=1 4 B18R3.12792 C1=CC=C(C=C1)CN2CCC3=C(C2)C=NN3 MCULE-1863738224 [1,0,0,0,0,0|2,0,0]=3 5 B18R3.12792 C1=CC=C(C=C1)CN2CCC3=C(C2)NN=C3 MCULE-1780348292 [1,0,0,0,0,0|3,0,0]=4 6 B18R3.12792 C1=CC=C(C=C1)CN2CCC3=C(C2)NN=C3 MCULE-3731035841 [1,0,0,0,0,0|3,0,0]=4 7 B18R3.12792 C1=CC=C(C=C1)CN2CCC3=C(C2)SC=N3 MCULE-5975691482 [1,0,0,0,0,0|2,0,0]=3 8 B18R3.12792 C1=CC=C(C=C1)CN2CCC3=C(C2)SN=N3 MCULE-3185882142 [1,0,0,0,0,0|3,0,0]=4 9 B18R3.12792 C1=CC=C(C=C1)CN2CCC3=C(C2)SN=N3 MCULE-4934213319 [1,0,0,0,0,0|3,0,0]=4 10 B18R3.12792 C1=CC=C(C=C1)CN2CCC3=NOC=C3C2 MCULE-3812696351 [1,0,0,0,0,0|2,0,0]=3 11 B18R3.12792 C1=CC=C(C=C1)CN2CCN3C=NC=C3C2 MCULE-6430537790 [1,0,0,0,0,0|3,0,0]=4 12 B18R3.12792 C1=CC=C(C=C1)CN2CCN3N=NC=C3C2 MCULE-7654327518 [1,0,0,0,0,0|3,0,0]=4 13 B20R3.96909 O=C(C1=CC=NC=C1F)N2CCC3=C(C2)C=CS3 MCULE-2189255399 [0,1,0,0,0,0|1,1,1]=4 14 B20R3.298241 ClC1=CN=CC(=C1CN2CCC3=NNC=C3C2)Cl MCULE-1170637861 [0,1,0,0,0,0|3,0,0]=4 15 B20R3.303598 FC1=CC(=C(C=C1)CN2CCC3=C(C2)C=CS3)F MCULE-7289103444 [0,1,0,0,0,0|0,1,0]=2 16 B18R2.6299 CC1=C(SC=C1)CNCCC2=CC=CC=C2F MCULE-8854859210 [0,0,1,0,0,0|2,1,0]=4 17 B18R2.6299 N(CCC1=CC=CC=C1F)CC2=C(C=CS2)C MCULE-6474644237 [0,0,1,0,0,0|2,1,0]=4 18 B18R2.6304 O=C(CC1=C(C=CC=C1)Cl)NCC2=CC=CS2 MCULE-3287096878 [0,0,1,0,0,0|3,0,0]=4 19 B18R2.20865 CCN1N=CC=C1CNCC2=CC=CC=C2O MCULE-4729289384 [0,0,1,0,0,0|3,0,0]=4 20 B18R2.20865 CCN1N=CC=C1CNCC2=CC=CC=C2O MCULE-8294397864 [0,0,1,0,0,0|3,0,0]=4 21 B18R2.78977 CCN(CC1=CC=CO1)CC2=C(C=CC=C2)O MCULE-9398089216 [0,0,1,0,0,0|3,0,0]=4 22 B18R3.3958 NC1=C(C=CC=C1)N2CCC3=C(C2)C=CS3 MCULE-5563886326 [0,0,0,0,1,0|1,0,0]=2 23 B18R3.6238 CC1=C(C=NO1)CN2CCC3=C(C2)C=CS3 MCULE-2174116845 [0,0,0,0,1,0|3,0,0]=4 24 B18R3.6238 CC1=C(C=NO1)CN2CCC3=C(C2)C=CS3 MCULE-7148648665 [0,0,0,0,1,0|3,0,0]=4 25 B18R3.6238 ClC1=C(SC=C1)CN2CCC3=C(C2)C=NN3 MCULE-3310848868 [0,0,0,0,1,0|3,0,0]=4 26 B18R3.6238 ClC1=C(SC=C1)CN2CCC3=C(C2)C=NN3 MCULE-3786960300 [0,0,0,0,1,0|3,0,0]=4 27 B20R3.13439 BrC1=CC=CC=C1CN2CCC3=C(C2)C=CC=C3 MCULE-5507833195 [0,0,0,0,0,1|1,1,0]=3 28 B20R3.13439 CC1=C(N=CC=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-4040283747 [0,0,0,0,0,1|3,0,0]=4 29 B20R3.13439 ClC1=C(C=CC=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-3695751047 [0,0,0,0,0,1|1,0,0]=2 30 B20R3.13439 ClC1=CC=CC=C1CN2CCC3=C(C2)C=CC=C3 MCULE-2448308340 [0,0,0,0,0,1|1,0,0]=2 31 B20R3.13439 FC1=C(C=CC=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-2257562808 [0,0,0,0,0,1|1,1,0]=3 32 B20R3.13439 FC1=C(C=CC=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-3672449866 [0,0,0,0,0,1|1,1,0]=3 33 B20R3.13439 OC1=CC=CC=C1CN2CCC3=C(C2)C=CC=C3 MCULE-9566153678 [0,0,0,0,0,1|2,0,0]=3 34 B17R2.3513 CC1=C(SC=C1)CNCCC2=CC=CC=C2 MCULE-1073963404 [1,0,1,0,0,0|2,0,0]=4 35 B17R2.3513 CC1=C(SC=C1)CNCCC2=CC=CC=C2 MCULE-3381103817 [1,0,1,0,0,0|2,0,0]=4 36 B17R2.1085 CCN1N=CC=C1CNCC2=CC=CC=C2 MCULE-9047382131 [1,0,1,0,0,0|2,0,0]=4 37 B17R2.3945 CC1=C(SC=C1)CNCC2=CC=CC=C2Cl MCULE-2821265355 [1,0,1,0,0,0|2,0,0]=4 38 B17R2.3945 CC1=C(SC=C1)CNCC2=CC=CC=C2Cl MCULE-9812996577 [1,0,1,0,0,0|2,0,0]=4 39 B17R2.3945 CN1C=CC=C1CNCC2=CC=CC=C2Cl MCULE-5468798615 [1,0,1,0,0,0|2,0,0]=4 40 B17R2.3945 CN1C=CC=C1CNCC2=CC=CC=C2Cl MCULE-6656821663 [1,0,1,0,0,0|2,0,0]=4 41 B17R2.3512 CC1=C(N=CO1)CN(C)CC2=CC=CC=C2 MCULE-8187738916 [1,0,1,0,0,0|1,1,0]=4 42 B17R2.6053 CCN(CC1=CC=CC=C1)CC2=CC=CO2 MCULE-9914208009 [1,0,1,0,0,0|2,0,0]=4 43 B19R2.101306 CC1=NNC=C1CN(C)CC2=C(C(=CC=C2)O)Cl MCULE-5765948189 [0,1,1,0,0,0|2,0,0]=4 44 B19R2.103398 CC1=CC=C(C(=C1)Cl)CN(C)CC2=CNN=C2C MCULE-8240251165 [0,1,1,0,0,0|2,0,0]=4 45 B19R2.125677 CCN(CC1=CC=CC=C1Cl)CC2=C(NC=N2)C MCULE-8942759456 [0,1,1,0,0,0|2,0,0]=4 46 B19R2.204794 CC1=CC=CC=C1CN(CCO)CC2=COC=C2 MCULE-9724520728 [0,1,1,0,0,0|1,1,0]=4 47 B19R2.1120607 CCN(CC1=CSC=N1)CC2=C(C=CC=C2F)Cl MCULE-7632632360 [0,1,1,0,0,0|1,0,0]=3 48 B19R3.256 CC1=NC2=C(O1)CCN(C2)CC3=CC=CC=C3 MCULE-8591555413 [1,1,0,0,0,0|1,1,0]=4 49 B19R3.256 NC1=NC2=C(S1)CCN(C2)CC3=CC=CC=C3 MCULE-4493507393 [1,1,0,0,0,0|1,0,0]=3 50 B19R3.256 NC1=NC2=C(S1)CN(CC2)CC3=CC=CC=C3 MCULE-6579245343 [1,1,0,0,0,0|2,0,0]=4 51 B19R3.256 NC1=NN2CCN(CC2=C1)CC3=CC=CC=C3 MCULE-5428826056 [1,1,0,0,0,0|2,0,0]=4 52 B19R3.282 C[C@@H]1CN2N=CC=C2CN1CC3=CC=CC=C3 MCULE-7123595024 [1,1,0,0,0,0|2,0,0]=4 53 B19R3.282 C[C@H]1CN2N=CC=C2CN1CC3=CC=CC=C3 MCULE-7771533798 [1,1,0,0,0,0|2,0,0]=4 54 B19R3.5798 CN1C=NC2=C1CCN(C2)CC3=CC=CC=C3 MCULE-8550321108 [1,1,0,0,0,0|2,0,0]=4 55 B19R3.22119 CC(C1=CC=CC=C1)N2CCC3=C(C2)C=CS3 MCULE-9302335660 [1,1,0,0,0,0|0,0,0]=2 56 B19R3.89397 O=C1NNC2=C1CN(CC2)CC3=CC=CC=C3 MCULE-6087878880 [1,1,0,0,0,0|2,0,0]=4 57 B19R3.182323 FC1=CC(=CC=C1)CN2CCC3=C(C2)C=CS3 MCULE-6735750169 [1,1,0,0,0,0|0,0,0]=2 58 B21R3.442214 CC1=C(C=CC=C1)CN2CCSC3=C(C2=O)C=CS3 MCULE-6142662775 [0,1,0,0,0,1|1,0,1]=4 59 B21R3.442214 O=C1C2=C(SC=C2)SCCN1CC3=C(C=CC=C3)Cl MCULE-4219871669 [0,1,0,0,0,1|0,0,1]=3 60 B21R3.36992 COC1=C(C=CC=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-1725523599 [0,1,0,0,0,1|2,0,0]=4 61 B21R3.36992 COC1=CC=CC=C1CN2CCC3=C(C2)C=CC=C3 MCULE-3865838651 [0,1,0,0,0,1|2,0,0]=4 62 B21R3.159209 O=C(C1=C(C=CC=C1)Cl)N2CCC3=CC=CC=C3C2 MCULE-2353719078 [0,1,0,0,0,1|1,0,1]=4 63 B21R3.213626 FC1=C(C(=CC=C1)Cl)CN2CCC3=CC=CC=C3C2 MCULE-3535411489 [0,1,0,0,0,1|1,0,0]=3 64 B21R3.213626 FC1=C(C(=CC=C1)Cl)CN2CCC3=CC=CC=C3C2 MCULE-8943343066 [0,1,0,0,0,1|1,0,0]=3 65 B21R3.213626 FC1=CC=CC(=C1CN2CCC3=C(C2)C=CC=C3)Cl MCULE-1029970631 [0,1,0,0,0,1|1,0,0]=3 66 B21R3.468597 ClC1=C(C(=CC=C1)CN2CCC3=C(C2)C=CC=C3)Cl MCULE-9901498355 [0,1,0,0,0,1|1,0,0]=3 67 B21R3.476351 ClC1=CC(=C(C=C1)CN2CCC3=C(C2)C=CC=C3)Cl MCULE-4814370975 [0,1,0,0,0,1|1,0,0]=3 68 B21R3.476351 ClC1=CC=C(C(=C1)Cl)CN2CCC3=C(C2)C=CC=C3 MCULE-9210605485 [0,1,0,0,0,1|1,0,0]=3 69 B21R3.476351 FC1=CC=C(C(=C1)Cl)CN2CCC3=CC=CC=C3C2 MCULE-4225930546 [0,1,0,0,0,1|1,0,0]=3 70 B21R3.476351 FC1=CC=C(C(=C1)Cl)CN2CCC3=CC=CC=C3C2 MCULE-4932351028 [0,1,0,0,0,1|1,0,0]=3 71 B21R3.476351 FC1=CC=C(C(=C1)F)CN2CCC3=C(C2)C=CC=C3 MCULE-4923047232 [0,1,0,0,0,1|1,1,0]=4 72 B21R3.476426 NC1=CC=C(C=C1CN2CCC3=C(C2)C=CC=C3)F MCULE-4563372354 [0,1,0,0,0,1|2,0,0]=4 73 B21R3.476426 OC1=CC=C(C=C1CN2CCC3=C(C2)C=CC=C3)Br MCULE-5936019782 [0,1,0,0,0,1|2,0,0]=4 74 B21R3.159624 O=C(CC1=C(C=CC=C1)Cl)N2CCN3N=CC=C3C2 MCULE-5674134569 [0,1,0,0,0,1|2,0,0]=4 75 B21R3.159624 O=C(CC1=CC=CC=C1Cl)N2CCC3=C(C2)N=CN3 MCULE-7994934751 [0,1,0,0,0,1|2,0,0]=4 76 B21R3.470043 CC1=C(C=CC=C1N)C(=O)N2CCC3=C(C2)C=CS3 MCULE-4054134913 [0,2,0,0,0,0|1,0,1]=4 77 B21R3.903826 N#CC(C1=C(C=CC=C1)Cl)N2CCC3=C(C2)C=CS3 MCULE-1707197381 [0,2,0,0,0,0|0,0,0]=2 78 B21R3.3955392 O=C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=C(S3)Cl MCULE-3822042417 [0,2,0,0,0,0|0,0,1]=3 79 B21R3.857906 N#CC1=CC(=C(C=C1)CN2CCC3=C(C2)C=CS3)F MCULE-2145275529 [0,2,0,0,0,0|0,1,0]=3 80 B21R4.2261449 C1=CC2=C(C=C1)NC(=N2)N3CCC4=C(C3)C=CS4 MCULE-5932485833 [0,0,0,1,0,1|1,0,1]=4 81 B17R3.1941 C1=CC=C(C=C1)N2CC3=C(C=N2)SC=C3 MCULE-4932460326 [1,0,0,0,1,0|1,0,1]=4 82 B17R3.8765 C1=CC=C(C=C1)CN2CC3=CNC=C3C2 MCULE-9965732139 [1,0,0,0,1,0|2,0,0]=4 83 B19R2.4485 CC1=CC=CC=C1CN(C)CCC2=CC=CC=N2 MCULE-1714653781 [0,0,1,0,0,1|2,0,0]=4 84 B19R2.4485 CC1=CC=CC=C1CN(C)CCC2=CC=CC=N2 MCULE-7676640709 [0,0,1,0,0,1|2,0,0]=4 85 B19R2.4485 CN(CCC1=CC=CC=N1)CC2=CC=CC=C2Br MCULE-3662259867 [0,0,1,0,0,1|1,1,0]=4 86 B19R2.4485 CN(CCC1=CC=CC=N1)CC2=CC=CC=C2Br MCULE-7848659235 [0,0,1,0,0,1|1,1,0]=4 87 B19R2.4485 CN(CCC1=CC=CC=N1)CC2=CC=CC=C2Cl MCULE-1985022570 [0,0,1,0,0,1|1,0,0]=3 88 B19R2.4485 CN(CCC1=CC=CC=N1)CC2=CC=CC=C2Cl MCULE-6575153822 [0,0,1,0,0,1|1,0,0]=3 89 B19R2.4485 CN(CCC1=CC=CC=N1)CC2=CC=CC=C2F MCULE-5194517235 [0,0,1,0,0,1|1,1,0]=4 90 B19R2.4485 CN(CCC1=CC=CC=N1)CC2=CC=CC=C2F MCULE-8260319686 [0,0,1,0,0,1|1,1,0]=4 91 B19R2.29003 COC1=CC=CC=C1CNCC2=CC=CC=C2Cl MCULE-2876771638 [0,0,1,0,0,1|2,0,0]=4 92 B19R2.191434 COC1=CC=CC(=C1)CNCC2=CC=CC=C2Cl MCULE-2496340782 [0,0,1,0,0,1|2,0,0]=4 93 B19R2.191434 COC1=CC=CC(=C1)CNCC2=CC=CC=C2Cl MCULE-7215764655 [0,0,1,0,0,1|2,0,0]=4 94 B19R2.50170 CC1=CC=CN=C1CN(C)CC2=C(C=NC=C2)Cl MCULE-6725370809 [0,0,1,0,0,1|2,0,0]=4 95 B19R2.9895 CCN(CC1=CC=CC=C1)CC2=C(C=CC=C2)Cl MCULE-3233298506 [0,0,1,0,0,1|1,0,0]=3 96 B19R2.9895 CCN(CC1=CC=CC=C1)CC2=C(C=CC=C2)Cl MCULE-8147117952 [0,0,1,0,0,1|1,0,0]=3 97 B19R2.9895 CCN(CC1=CC=CC=C1)CC2=C(C=CC=C2)O MCULE-6778094459 [0,0,1,0,0,1|2,0,0]=4 98 B19R2.9895 CCN(CC1=CC=CC=C1)CC2=CC=CC=C2N MCULE-5210262159 [0,0,1,0,0,1|2,0,0]=4 99 B19R2.9895 CCN(CC1=CC=NC=C1)CC2=CC=CC=C2F MCULE-2177879183 [0,0,1,0,0,1|1,1,0]=4 100 B19R2.9895 CCN(CC1=CC=NC=C1)CC2=CC=CC=C2F MCULE-4869619462 [0,0,1,0,0,1|1,1,0]=4 101 B19R3.19215 C1=CC(=CN=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-4685713284 [1,0,0,0,0,1|2,0,0]=4 102 B19R3.19215 C1=CC2=C(C=C1)CN(CC2)CC3=CC=NC=C3 MCULE-2538596801 [1,0,0,0,0,1|2,0,0]=4 103 B19R3.19215 C1=CC=C(C=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-9831944039 [1,0,0,0,0,1|1,0,0]=3 104 B19R3.19215 C1=CC=C(C=C1)CN2CCC3=C(C2)C=CC=N3 MCULE-7191629770 [1,0,0,0,0,1|1,0,0]=3 105 B19R3.19215 C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 MCULE-3578610475 [1,0,0,0,0,1|1,0,0]=3 106 B19R3.19215 C1=CC=C(C=C1)CN2CCC3=CN=CN=C3C2 MCULE-7233196563 [1,0,0,0,0,1|2,0,0]=4 107 B19R3.19215 C1=CC=C(C=C1)CN2CCC3=NC=NC=C3C2 MCULE-4123482295 [1,0,0,0,0,1|1,0,0]=3 108 B19R3.19215 C1=CC=C(N=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-7604708000 [1,0,0,0,0,1|2,0,0]=4 109 B19R3.19215 C1=CC=C(N=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-7880057047 [1,0,0,0,0,1|2,0,0]=4 110 B19R3.19215 C1=CN=CC(=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-1308351771 [1,0,0,0,0,1|2,0,0]=4 111 B19R3.1761481 C1=CC=C(C=C1)CN2CCC3=C(CC2)NC=N3 MCULE-4159374932 [1,0,0,0,0,1|2,0,0]=4 112 B19R3.5517 NC1=C(C=CC=C1)N2CCC3=C(C2)C=CC=C3 MCULE-7063785779 [0,0,0,0,1,1|2,0,0]=4