0 B17R3.2681 C1=CC2=C(C=C1)N(CC2)CC3=COC=N3 MCULE-2286885527 [0,0,0,0,0,0|1,0,0]=1 1 B17R3.2681 C1=CC2=C(C=C1)N(CC2)CC3CCNC3 MCULE-3184117584 [0,0,0,0,0,0|1,0,3]=4 2 B17R3.2681 C1=CC2=C(C=C1)N(CC2)CC3CCNC3 MCULE-5422843617 [0,0,0,0,0,0|1,0,3]=4 3 B18R3.1943 O=C(C1=CC=CO1)N2CCC3=C2C=CC=C3 MCULE-9084130515 [0,1,0,0,0,0|2,0,1]=4 4 B18R3.1943 O=C(C1=CC=CS1)N2CCC3=C2C=CC=C3 MCULE-2470375884 [0,1,0,0,0,0|2,0,1]=4 5 B18R3.1943 O=C(C1=NNC=C1)N2CCC3=CC=CC=C23 MCULE-2868636585 [0,1,0,0,0,0|2,0,1]=4 6 B18R3.2886 CC1=CC(=NO1)CN2CCC3=C2C=CC=C3 MCULE-3867261207 [0,1,0,0,0,0|2,0,0]=3 7 B18R3.2886 CC1=NC(=CO1)CN2C=NC3=C2C=CC=C3 MCULE-3698721617 [0,1,0,0,0,0|2,0,1]=4 8 B18R3.2886 CN1C=C(N=N1)CN2CCC3=C2C=CC=C3 MCULE-3312385161 [0,1,0,0,0,0|1,0,0]=2 9 B16R2.1480 COC1=C(C=CC=C1)NCC2=CC=CS2 MCULE-2941758355 [0,0,1,0,0,0|3,0,0]=4 10 B16R2.2257 C1=CC=C(C=C1)CCCCC2=CN=CN2 MCULE-5144461670 [0,0,1,0,0,0|1,0,2]=4 11 B16R2.2257 C1=CC=C(C=C1)CCNCC2=CC=CO2 MCULE-4150851524 [0,0,1,0,0,0|2,0,0]=3 12 B16R2.2257 C1=CC=C(C=C1)CCNCC2=CC=CO2 MCULE-5087927315 [0,0,1,0,0,0|2,0,0]=3 13 B16R2.2257 C1=CC=C(C=C1)CCNCC2=CC=CO2 MCULE-8736164435 [0,0,1,0,0,0|2,0,0]=3 14 B16R2.2257 C1=CC=C(C=C1)CCNCC2=CC=CS2 MCULE-9587128843 [0,0,1,0,0,0|2,0,0]=3 15 B16R2.2257 C1=CN=C(C=C1)CNCCC2=CNC=N2 MCULE-8591894908 [0,0,1,0,0,0|3,0,0]=4 16 B16R2.2257 N(CCC1=CC=CC=C1)CC2=CC=CS2 MCULE-1096073639 [0,0,1,0,0,0|2,0,0]=3 17 B18R3.2098 C1=CC=C(C=C1)CN2CCC3=C2C=CC=C3 MCULE-4285751455 [0,0,0,0,0,1|2,0,0]=3 18 B18R3.2098 C1=CC=C(N=C1)CN2N=NC3=C2C=CC=C3 MCULE-4661181538 [0,0,0,0,0,1|3,0,0]=4 19 B18R3.2098 C1=CN=CC(=C1)CN2N=NC3=C2C=CC=C3 MCULE-6485270929 [0,0,0,0,0,1|3,0,0]=4 20 B18R3.36580 C1=CC2=C(C=C1)CN(CC2)CC3=COC=C3 MCULE-4245533649 [0,0,0,0,0,1|2,0,0]=3 21 B18R3.36580 C1=CC2=C(C=C1)CN(CC2)CC3=COC=N3 MCULE-4244232380 [0,0,0,0,0,1|1,0,0]=2 22 B18R3.36580 C1=CC2=C(C=C1)CN(CC2)CC3=CSC=C3 MCULE-3819899075 [0,0,0,0,0,1|2,0,0]=3 23 B18R3.36580 C1=CC2=C(C=C1)CN(CC2)CC3=NOC=N3 MCULE-7366227068 [0,0,0,0,0,1|2,0,0]=3 24 B18R3.36580 C1=COC(=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-7321646890 [0,0,0,0,0,1|2,0,0]=3 25 B18R3.36580 C1=COC(=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-8133389378 [0,0,0,0,0,1|2,0,0]=3 26 B15R2.562 CC1=C(C=CC=C1)NCC2=NC=CN2 MCULE-7376145942 [1,0,1,0,0,0|2,0,0]=4 27 B17R2.2293 CCN(C(=O)C1=NNC=N1)C2=CC=CC=C2 MCULE-1035216649 [0,1,1,0,0,0|1,0,1]=4 28 B17R2.2737 CCC1=C(C=CC=C1)NC(=O)C2=CNN=N2 MCULE-5273887196 [0,1,1,0,0,0|1,0,1]=4 29 B17R2.346 BrC1=CC=C(C=C1)CNCCC2=CNC=N2 MCULE-2758359123 [0,1,1,0,0,0|2,0,0]=4 30 B17R2.346 BrC1=CC=C(C=C1)CNCCC2=CNC=N2 MCULE-9578256195 [0,1,1,0,0,0|2,0,0]=4 31 B17R2.346 CC1=CC=C(C=C1)CCNCC2=CC=CO2 MCULE-5886992257 [0,1,1,0,0,0|2,0,0]=4 32 B17R2.346 ClC1=CC=C(C=C1)CNCCC2=CNC=N2 MCULE-7398669154 [0,1,1,0,0,0|2,0,0]=4 33 B17R2.346 ClC1=CC=C(C=C1)CNCCC2=CNC=N2 MCULE-8395032815 [0,1,1,0,0,0|2,0,0]=4 34 B17R2.346 FC1=CC=C(C=C1)CCNCC2=CC=CO2 MCULE-3347985298 [0,1,1,0,0,0|2,0,0]=4 35 B17R2.346 FC1=CC=C(C=C1)CCNCC2=CC=CO2 MCULE-6727855444 [0,1,1,0,0,0|2,0,0]=4 36 B17R2.346 FC1=CC=C(C=C1)CCNCC2=CC=CO2 MCULE-9091272445 [0,1,1,0,0,0|2,0,0]=4 37 B17R2.3230 BrC1=CSC(=C1)CNCCC2=CC=CC=C2 MCULE-4601718037 [0,1,1,0,0,0|2,0,0]=4 38 B17R2.3230 CC1=CC=C(S1)CNCCC2=CC=CC=C2 MCULE-2991361466 [0,1,1,0,0,0|2,0,0]=4 39 B17R2.3230 CC1=CC=C(S1)CNCCC2=CC=CC=C2 MCULE-4216308249 [0,1,1,0,0,0|2,0,0]=4 40 B17R2.3230 CN1C=CC(=N1)CNCCC2=CC=CC=C2 MCULE-1370705074 [0,1,1,0,0,0|2,0,0]=4 41 B17R2.3230 CN1C=CC(=N1)CNCCC2=CC=CC=C2 MCULE-8668257847 [0,1,1,0,0,0|2,0,0]=4 42 B17R2.3430 CC1=C(C=CC=C1)CCNCC2=NC=CN2 MCULE-1133117559 [0,1,1,0,0,0|2,0,0]=4 43 B17R2.3430 CC1=C(C=CC=C1)CCNCC2=NC=CN2 MCULE-8063169119 [0,1,1,0,0,0|2,0,0]=4 44 B17R2.3430 FC1=C(C=CC=C1)CCNCC2=CC=CO2 MCULE-8952641660 [0,1,1,0,0,0|2,0,0]=4 45 B17R2.3430 FC1=CC=CC=C1CCNCC2=CC=CO2 MCULE-3456573472 [0,1,1,0,0,0|2,0,0]=4 46 B17R2.3513 CC1=C(SC=C1)CNCCC2=CC=CC=C2 MCULE-1073963404 [0,1,1,0,0,0|2,0,0]=4 47 B17R2.3513 CC1=C(SC=C1)CNCCC2=CC=CC=C2 MCULE-3381103817 [0,1,1,0,0,0|2,0,0]=4 48 B17R2.3513 CC1=NNC=C1CNCCC2=CC=CC=C2 MCULE-8445402680 [0,1,1,0,0,0|2,0,0]=4 49 B17R2.3513 CC1=NNC=C1CNCCC2=CC=CC=C2 MCULE-8659693153 [0,1,1,0,0,0|2,0,0]=4 50 B17R2.3513 CN1C=CC=C1CNCCC2=CC=CC=C2 MCULE-7336366561 [0,1,1,0,0,0|1,0,1]=4 51 B17R2.3513 N(CCC1=CC=CC=C1)CC2=CC=CN2C MCULE-1031672757 [0,1,1,0,0,0|1,0,1]=4 52 B17R2.5714 O=C(NCCC1=CC=CC=C1)C2=NNC=N2 MCULE-3533783494 [0,1,1,0,0,0|1,0,1]=4 53 B17R2.8341 CC(CC1=CC=CC=C1)NCC2=CC=CO2 MCULE-1646328035 [0,1,1,0,0,0|2,0,0]=4 54 B17R2.8341 CC(CC1=CC=CC=C1)NCC2=CC=CO2 MCULE-2626720504 [0,1,1,0,0,0|2,0,0]=4 55 B17R2.45544 OC(CNCC1=CC=CO1)C2=CC=CC=C2 MCULE-6442876206 [0,1,1,0,0,0|2,0,0]=4 56 B17R2.45544 OC(CNCC1=CC=CS1)C2=CC=CC=C2 MCULE-1369487349 [0,1,1,0,0,0|2,0,0]=4 57 B17R2.45544 OC(CNCC1=CC=CS1)C2=CC=CC=C2 MCULE-8097536617 [0,1,1,0,0,0|2,0,0]=4 58 B19R3.83 ClC1=NC=C(S1)CN2CCCC3=C2C=CC=C3 MCULE-2556865374 [0,1,0,0,0,1|1,0,1]=4 59 B19R3.10080 O=C1CSC2=C(N1CC3=CSC=N3)C=CC=C2 MCULE-3227127521 [0,1,0,0,0,1|1,0,1]=4 60 B19R3.99 NC1=CC2=C(C=C1)N(CC2)CC3=CC=CC=C3 MCULE-4214424406 [0,1,0,0,0,1|2,0,0]=4 61 B19R3.99 NC1=CC2=C(C=C1)N(CC2)CC3=CC=CC=C3 MCULE-5960119551 [0,1,0,0,0,1|2,0,0]=4 62 B19R3.307 NC1=C(C=CC=C1)CN2CCC3=C2C=CC=C3 MCULE-3332551631 [0,1,0,0,0,1|2,0,0]=4 63 B19R3.434 NC1=CC=C(C=C1)CN2CCC3=C2C=CC=C3 MCULE-6316463359 [0,1,0,0,0,1|2,0,0]=4 64 B19R3.2487 O=C(C1=CC=CN=C1)N2CCC3=CC=CC=C23 MCULE-3227831588 [0,1,0,0,0,1|1,0,1]=4 65 B19R3.2487 O=C(C1=NC=CC=C1)N2CCC3=C2C=CC=C3 MCULE-9136430544 [0,1,0,0,0,1|1,0,1]=4 66 B19R3.5866 NC1=CC2=C(C=C1)CCN2CC3=CC=CC=C3 MCULE-7924055750 [0,1,0,0,0,1|2,0,0]=4 67 B19R3.5866 NC1=CC2=C(C=C1)CCN2CC3=CC=CC=C3 MCULE-8075224289 [0,1,0,0,0,1|2,0,0]=4 68 B19R3.9780 O=C1C=C(C=CN1)CN2CCC3=CC=CC=C23 MCULE-2343935293 [0,1,0,0,0,1|1,0,0]=3 69 B19R3.10818 O=C(CC1=CC=CS1)N2CCC3=C2C=CC=C3 MCULE-2529495099 [0,1,0,0,0,1|2,0,0]=4 70 B19R3.10818 O=C(CN1C=NC=N1)N2CCC3=C2C=CC=C3 MCULE-1232363359 [0,1,0,0,0,1|1,0,1]=4 71 B19R3.8809 CN1C=NC=C1CN2CCC3=C(C2)C=CC=C3 MCULE-3010244850 [0,1,0,0,0,1|0,0,2]=4 72 B19R3.50998 BrC1=CC=C(O1)CN2CCC3=C(C2)C=CC=C3 MCULE-3527510402 [0,1,0,0,0,1|2,0,0]=4 73 B19R3.50998 BrC1=CSC(=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-6643794701 [0,1,0,0,0,1|2,0,0]=4 74 B19R3.50998 CC1=CC=C(O1)CN2CCC3=C(C2)C=CC=C3 MCULE-1526032824 [0,1,0,0,0,1|2,0,0]=4 75 B19R3.50998 CC1=CC=C(O1)CN2CCC3=C(C2)C=CC=C3 MCULE-9634141762 [0,1,0,0,0,1|2,0,0]=4 76 B19R3.50998 CC1=NC(=CS1)CN2CCC3=C(C2)C=CC=C3 MCULE-7905553056 [0,1,0,0,0,1|1,0,0]=3 77 B19R3.50998 CC1=NC(=NO1)CN2CCC3=C(C2)C=CC=C3 MCULE-3244468788 [0,1,0,0,0,1|2,0,0]=4 78 B19R3.50998 CN1C=C(N=N1)CN2CCC3=C(C2)C=CC=C3 MCULE-6144617259 [0,1,0,0,0,1|1,0,0]=3 79 B19R3.50998 ClC1=NC=C(S1)CN2CCC3=C(C2)C=CC=C3 MCULE-4707956400 [0,1,0,0,0,1|1,0,1]=4 80 B19R3.50998 NC1=NC(=CS1)CN2CCC3=C(C2)C=CC=C3 MCULE-2966883364 [0,1,0,0,0,1|1,0,0]=3 81 B19R3.50998 NC1=NC(=CS1)CN2CCC3=C(C2)C=CC=C3 MCULE-7956765950 [0,1,0,0,0,1|1,0,0]=3 82 B19R3.53823 O=C1NC(=S)SC1=CN2CCC3=C2C=CC=C3 MCULE-8788746582 [0,2,0,0,0,0|1,0,1]=4 83 B19R3.2197 NCC(C1=CC=CS1)N2CCC3=C2C=CC=C3 MCULE-6274667766 [0,2,0,0,0,0|2,0,0]=4 84 B19R3.3782 CC1=NC(=CS1)C(=O)N2CCC3=C2C=CC=C3 MCULE-3037925015 [0,2,0,0,0,0|1,0,1]=4 85 B19R3.3782 CN1C=NC(=C1)C(=O)N2CCC3=C2C=CC=C3 MCULE-1565777523 [0,2,0,0,0,0|0,0,1]=3 86 B19R3.3884 CC1=C(OC(=N1)CN2CCC3=C2C=CC=C3)C MCULE-5986224443 [0,2,0,0,0,0|2,0,0]=4 87 B17R3.8 C1=CN=C(C=C1)N2CCC3=C2C=CC=C3 MCULE-7509629131 [0,0,1,1,0,0|1,0,1]=4 88 B17R3.2679 C1=CC=C2C(=C1)CCNC2C3=CC=CO3 MCULE-2063499816 [0,0,1,1,0,0|2,0,0]=4 89 B17R3.2679 C1=CC=C2C(=C1)CCNC2C3=CC=CS3 MCULE-8113843059 [0,0,1,1,0,0|2,0,0]=4 90 B17R3.2679 C1=COC(=C1)C2NCCC3=C2C=CC=C3 MCULE-5744638260 [0,0,1,1,0,0|2,0,0]=4 91 B17R3.2679 C1=COC(=C1)C2NCCC3=C2C=CC=C3 MCULE-5765909009 [0,0,1,1,0,0|2,0,0]=4 92 B17R3.8707 C1=CC=C(C=C1)C2NCCC3=C2NC=N3 MCULE-5811955627 [0,0,1,1,0,0|2,0,0]=4 93 B15R2.123 COC1=C(C=CC=C1)CC2=CNC=N2 MCULE-2497145004 [0,0,1,0,1,0|1,0,0]=3 94 B15R2.123 COC1=C(C=CC=C1)CC2=CNC=N2 MCULE-9593855652 [0,0,1,0,1,0|1,0,0]=3 95 B15R2.2196 C1=CC=C(C=C1)CCNC2=NC=CS2 MCULE-2362927468 [0,0,1,0,1,0|2,0,0]=4 96 B15R2.2196 C1=CC=C(C=C1)CNCC2=CC=CO2 MCULE-3475414893 [0,0,1,0,1,0|2,0,0]=4 97 B15R2.2196 C1=CC=C(C=C1)CNCC2=CC=CO2 MCULE-5637171751 [0,0,1,0,1,0|2,0,0]=4 98 B15R2.2196 C1=CC=C(C=C1)CNCC2=CC=CS2 MCULE-2526444279 [0,0,1,0,1,0|2,0,0]=4 99 B15R2.2196 C1=CC=C(C=C1)CNCC2=CN=CN2 MCULE-6831074564 [0,0,1,0,1,0|0,0,2]=4 100 B15R2.2196 C1=CC=C(C=C1)CNCC2=CN=CN2 MCULE-9849817075 [0,0,1,0,1,0|0,0,2]=4 101 B15R2.2196 C1=CC=C(C=C1)CNCC2=CNN=N2 MCULE-3532614897 [0,0,1,0,1,0|1,0,0]=3 102 B15R2.2196 C1=CC=C(C=C1)CNCC2=CNN=N2 MCULE-3822711321 [0,0,1,0,1,0|1,0,0]=3 103 B15R2.2196 C1=CC=C(C=C1)CNCC2=COC=C2 MCULE-9013587427 [0,0,1,0,1,0|2,0,0]=4 104 B15R2.2196 C1=CC=C(C=C1)CNCC2=NC=CS2 MCULE-2635470786 [0,0,1,0,1,0|2,0,0]=4 105 B15R2.2196 C1=CC=C(C=C1)CNCC2=NC=CS2 MCULE-5562918778 [0,0,1,0,1,0|2,0,0]=4 106 B15R2.2196 C1=CC=C(C=C1)CNCC2=NC=CS2 MCULE-8045427608 [0,0,1,0,1,0|2,0,0]=4 107 B15R2.2196 C1=CC=C(C=C1)CNCC2=NNC=C2 MCULE-5109880359 [0,0,1,0,1,0|2,0,0]=4 108 B15R2.2196 C1=CC=C(C=C1)CNCC2=NNC=C2 MCULE-7978237173 [0,0,1,0,1,0|2,0,0]=4 109 B17R2.162 CCN(CC1=CC=CC=C1)C2=CC=CC=C2 MCULE-5329325966 [0,0,1,0,0,1|2,0,0]=4 110 B17R2.6053 CCN(CC1=CC=CC=C1)CC2=CC=CO2 MCULE-9914208009 [0,0,1,0,0,1|2,0,0]=4 111 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=CC=C2 MCULE-5301317821 [0,0,1,0,0,1|2,0,0]=4 112 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=CC=C2 MCULE-8229553327 [0,0,1,0,0,1|2,0,0]=4 113 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=CC=C2 MCULE-9696884313 [0,0,1,0,0,1|2,0,0]=4 114 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=CC=N2 MCULE-1891065471 [0,0,1,0,0,1|1,0,0]=3 115 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=CC=N2 MCULE-5416945957 [0,0,1,0,0,1|1,0,0]=3 116 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=CC=N2 MCULE-7585389399 [0,0,1,0,0,1|1,0,0]=3 117 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=CN=C2 MCULE-3001829667 [0,0,1,0,0,1|1,0,0]=3 118 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=CN=C2 MCULE-4594372794 [0,0,1,0,0,1|1,0,0]=3 119 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=CN=C2 MCULE-5019319188 [0,0,1,0,0,1|1,0,0]=3 120 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CC=NC=C2 MCULE-2959106913 [0,0,1,0,0,1|1,0,1]=4 121 B17R2.2382 C1=CC=C(C=C1)CCNCC2=CN=CC=C2 MCULE-3007890020 [0,0,1,0,0,1|1,0,0]=3 122 B17R2.2382 C1=CN=C(C=C1)CCNCC2=CN=CC=C2 MCULE-5241600016 [0,0,1,0,0,1|2,0,0]=4 123 B17R2.2382 N(CCC1=CC=CC=C1)CC2=CC=NC=C2 MCULE-4556270075 [0,0,1,0,0,1|1,0,1]=4 124 B17R2.2383 C1=CC=C(C=C1)OCCNCC2=CC=CO2 MCULE-8756446091 [0,0,1,0,0,1|2,0,0]=4 125 B17R2.2383 C1=CC=C(C=C1)OCCNCC2=CC=CS2 MCULE-4567562806 [0,0,1,0,0,1|2,0,0]=4 126 B19R3.28 C1=CC=C(C=C1)CN2CCCC3=C2C=CC=C3 MCULE-2085425554 [0,0,0,0,0,2|2,0,0]=4 127 B19R3.28 C1=CC=C(C=C1)CN2CCNC3=CC=CC=C23 MCULE-7465635165 [0,0,0,0,0,2|2,0,0]=4 128 B19R3.2360 C1=COC(=C1)CN2CCOC3=C(C2)C=CC=C3 MCULE-6581175914 [0,0,0,0,0,2|2,0,0]=4 129 B19R3.4444 C1=CC2=C(C=C1)N(CCC2)CCN3C=CC=N3 MCULE-8430844471 [0,0,0,0,0,2|2,0,0]=4 130 B19R3.19215 C1=CC(=CN=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-4685713284 [0,0,0,0,0,2|1,0,0]=3 131 B19R3.19215 C1=CC2=C(C=C1)CN(CC2)CC3=CC=NC=C3 MCULE-2538596801 [0,0,0,0,0,2|1,0,1]=4 132 B19R3.19215 C1=CC=C(C=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-9831944039 [0,0,0,0,0,2|2,0,0]=4 133 B19R3.19215 C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 MCULE-3578610475 [0,0,0,0,0,2|2,0,0]=4 134 B19R3.19215 C1=CC=C(N=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-7604708000 [0,0,0,0,0,2|1,0,0]=3 135 B19R3.19215 C1=CC=C(N=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-7880057047 [0,0,0,0,0,2|1,0,0]=3 136 B19R3.19215 C1=CN=CC(=C1)CN2CCC3=C(C2)C=CC=C3 MCULE-1308351771 [0,0,0,0,0,2|1,0,0]=3 137 B19R3.62425 C1=CC2=C(C=C1)CN(CC2)CCN3C=CC=N3 MCULE-6664989395 [0,0,0,0,0,2|2,0,0]=4