0 B15R2.61364 CC1(CC(=O)C2=C(C1)N=CN=C2N)C MCULE-4260140185 [0,0,0,0,0,0|0,0,0]=0 1 B15R2.61364 CC1(CC(=O)C2=C(O1)C=CC=C2Br)C MCULE-5298931563 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.61364 CC1(CC(=O)C2=C(O1)C=CC=C2F)C MCULE-9287625468 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.61364 CC1(CC(=O)C2=C(O1)C=CC=C2N)C MCULE-4146673230 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.61364 CC1(CC(=O)C2=C(O1)C=CC=C2O)C MCULE-1718966435 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.61364 CC1(CC2=CC=CC(=C2C(=O)N1)Br)C MCULE-9945525673 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.61364 CC1(CC2=CC=CC(=C2C(=O)N1)N)C MCULE-3584520060 [0,0,0,0,0,0|3,0,0]=3 7 B14R2.29496 CC1(CC(=O)C2=C(N1)C=CC=C2)C MCULE-5553451399 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.29496 CC1(CC(=O)C2=C(O1)C=CC=C2)C MCULE-7359426276 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.29496 CC1(CC(=O)C2=C(O1)N=CC=C2)C MCULE-2905065518 [1,0,0,0,0,0|2,0,0]=3 10 B14R2.29496 CC1(CC(=O)C2=C(S1)C=CC=C2)C MCULE-4490063137 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.29496 CC1(CC2=C(C=CC=C2)C(=O)N1)C MCULE-3713483617 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.128806 CC1=COC2=C(C1=O)C(=O)CC(C2)(C)C MCULE-6298653944 [0,1,0,0,0,0|3,0,0]=4 13 B16R2.392063 CC1(CC(=O)C2=C(C1)N=C(C=C2Cl)Cl)C MCULE-9760209182 [0,1,0,0,0,0|2,0,0]=3 14 B16R2.392063 CC1(CC(=O)C2=C(C1)OC(=O)C=C2O)C MCULE-7423768958 [0,1,0,0,0,0|3,0,0]=4 15 B16R2.392063 CC1=CC(=C2C(=O)CC(CC2=N1)(C)C)C MCULE-5019046794 [0,1,0,0,0,0|2,0,0]=3 16 B16R2.392063 CC1=CC(=O)C2=C(O1)CC(CC2=O)(C)C MCULE-4129583695 [0,1,0,0,0,0|3,0,0]=4 17 B16R2.392063 CC1=CC(=O)OC2=C1C(=O)CC(C2)(C)C MCULE-4463519266 [0,1,0,0,0,0|3,0,0]=4 18 B16R2.392063 CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)N MCULE-6025229285 [0,1,0,0,0,0|1,0,0]=2 19 B14R1.4451 CC(C)(C)CC(=O)C1=CC=CC=C1Cl MCULE-2294641182 [0,0,1,0,0,0|3,0,0]=4 20 B14R1.4451 CC(C)(C)CC(=O)C1=CC=CC=C1F MCULE-7486039801 [0,0,1,0,0,0|3,0,0]=4 21 B14R1.4451 CC(C)(C)NC(=O)C1=C(C=CC=C1)N MCULE-2720823380 [0,0,1,0,0,0|3,0,0]=4 22 B14R1.4451 CC(C)(C)NC(=O)C1=C(N=CC=C1)Cl MCULE-2338767728 [0,0,1,0,0,0|3,0,0]=4 23 B14R1.4451 CC(C)(C)OC(=O)C1=C(C=CC=C1)N MCULE-4835140847 [0,0,1,0,0,0|3,0,0]=4 24 B14R1.4451 CC(C)(C)OC(=O)C1=C(N=CC=C1)Br MCULE-4784008107 [0,0,1,0,0,0|3,0,0]=4 25 B14R1.4451 CC(C)(C)OC(=O)C1=C(N=CC=C1)F MCULE-8775434804 [0,0,1,0,0,0|3,0,0]=4 26 B14R1.4451 CC(C)(C)OC(=O)C1=C(N=CC=C1)N MCULE-2007870841 [0,0,1,0,0,0|2,0,0]=3 27 B14R1.4451 CC(C)(C)OC(=O)C1=CC=CN=C1Cl MCULE-5841811709 [0,0,1,0,0,0|3,0,0]=4 28 B14R1.4451 CC1=CC=CC=C1C(=O)CC(C)(C)C MCULE-7308997274 [0,0,1,0,0,0|3,0,0]=4 29 B14R1.4926 CC(C)NC1=NC=NC(=C1N(=O)=O)N MCULE-8236670605 [0,0,1,0,0,0|3,0,0]=4 30 B14R1.5958 CC1=C(C(=CC=C1)Cl)C(=O)CC(C)C MCULE-3950160512 [0,0,1,0,0,0|3,0,0]=4 31 B14R1.5958 CC1=CC=CC(=C1C(=O)CC(C)C)C MCULE-2666683388 [0,0,1,0,0,0|3,0,0]=4 32 B14R1.19481 CC(=NO)C1=C(CC(CC1=O)(C)C)O MCULE-2406752988 [0,0,1,0,0,0|3,0,0]=4 33 B14R2.8052 CC1(OC(=O)C2=C(N=CC=C12)Cl)C MCULE-2880784556 [0,0,0,0,1,0|3,0,0]=4 34 B14R2.24368 CC1(CC(=O)C2=C(C1)NN=C2N)C MCULE-5127937728 [0,0,0,0,1,0|0,0,1]=2 35 B14R2.24368 CC1=C2C(=O)CC(CC2=NO1)(C)C MCULE-6896818163 [0,0,0,0,1,0|2,0,0]=3 36 B14R2.24368 CC1=CNC2=C1C(=O)CC(C2)(C)C MCULE-8274942413 [0,0,0,0,1,0|1,0,1]=3 37 B14R2.24368 CC1=COC2=C1C(=O)CC(C2)(C)C MCULE-7010736947 [0,0,0,0,1,0|2,0,0]=3 38 B14R2.24368 CC1=NNC2=C1C(=O)CC(C2)(C)C MCULE-9060395362 [0,0,0,0,1,0|1,0,1]=3 39 B14R2.24368 CC1=NOC2=C1C(=O)CC(C2)(C)C MCULE-2883892111 [0,0,0,0,1,0|2,0,0]=3 40 B13R1.8379 CC(=C1C(=O)CC(CC1=O)(C)C)N MCULE-6498779184 [1,0,1,0,0,0|1,0,1]=4 41 B13R1.8379 CC1(CC(=O)C(=C(N)N)C(=O)C1)C MCULE-6970217614 [1,0,1,0,0,0|1,0,1]=4 42 B13R1.201 CC(C)NC(=O)C1=C(N=CC=C1)N MCULE-5055632273 [1,0,1,0,0,0|2,0,0]=4 43 B13R1.201 CC(C)NC(=O)C1=C(N=CN=C1)N MCULE-5533471128 [1,0,1,0,0,0|1,0,0]=3 44 B13R1.201 CC1=C(C=CC=C1)C(=O)CC(C)C MCULE-3738301220 [1,0,1,0,0,0|2,0,0]=4 45 B13R1.352 CC(C)(C)CC(=O)C1=CC=CC=C1 MCULE-2756203976 [1,0,1,0,0,0|2,0,0]=4 46 B13R1.352 CC(C)(C)NC(=O)C1=CC=CN=C1 MCULE-1341735638 [1,0,1,0,0,0|2,0,0]=4 47 B13R1.589 CC(=O)C1=CC=CN=C1OC(C)C MCULE-4361464366 [1,0,1,0,0,0|2,0,0]=4 48 B13R1.4453 CCOC(=O)C1=C(N=CN=C1C)C MCULE-6162912275 [1,0,1,0,0,0|2,0,0]=4 49 B13R1.4453 CCOC(=O)C1=C(N=CN=C1C)O MCULE-1876715158 [1,0,1,0,0,0|2,0,0]=4 50 B13R1.4453 CCOC(=O)C1=C(N=CN=C1Cl)C MCULE-6830965667 [1,0,1,0,0,0|2,0,0]=4 51 B13R1.3946 CC1(CC(=O)C(=C(C1)O)C=NN)C MCULE-3352265625 [1,0,1,0,0,0|2,0,0]=4 52 B13R2.328 CC1CC(=O)C2=CC=CC=C2C1 MCULE-4123227699 [2,0,0,0,0,0|2,0,0]=4 53 B13R2.4818 NC1=C2C(=O)CCCC2=CC=C1 MCULE-7155658992 [2,0,0,0,0,0|2,0,0]=4 54 B13R2.4818 NC1=CC=CC2=C1C(=O)CCC2 MCULE-2119662973 [2,0,0,0,0,0|2,0,0]=4 55 B13R2.4818 O=C1NCCC2=NC=NC(=C12)Cl MCULE-2732172836 [2,0,0,0,0,0|2,0,0]=4 56 B15R1.8297 CC(C)(C)NC1=NC=NC(=C1N(=O)=O)N MCULE-5577666543 [0,1,1,0,0,0|2,0,0]=4 57 B15R1.4541 CC(C)(C)OC(=O)C1=C(N=CC=C1)NN MCULE-9778218832 [0,1,1,0,0,0|2,0,0]=4 58 B15R1.4541 CNC1=NC=CC=C1C(=O)OC(C)(C)C MCULE-7223807078 [0,1,1,0,0,0|2,0,0]=4 59 B15R1.8313 CC(C)(C)OC(=O)C1=C(C=CN=C1N)Br MCULE-5658629654 [0,1,1,0,0,0|2,0,0]=4 60 B15R2.65793 CC1=C2C(=O)CC(CC2=NC(=N1)N)C MCULE-5297299339 [1,1,0,0,0,0|1,0,0]=3 61 B15R2.50278 CC1(CC(=O)C2=C(C1)C=CC(=C2)Br)C MCULE-4020642072 [1,1,0,0,0,0|2,0,0]=4 62 B15R2.63911 CC1(CC(=O)C2=C(C1)N=C(C=C2)Cl)C MCULE-4766115742 [1,1,0,0,0,0|1,0,0]=3 63 B15R2.63911 CC1(CC(=O)C2=C(C1)N=C(N=C2)N)C MCULE-2469600282 [1,1,0,0,0,0|0,0,0]=2 64 B15R2.63911 CC1(CC(=O)C2=C(C1)NC(=O)C=C2)C MCULE-5530614562 [1,1,0,0,0,0|1,0,1]=4 65 B15R2.63911 CC1(CC(=O)C2=CN=C(N=C2C1)N)C MCULE-7020453238 [1,1,0,0,0,0|0,0,0]=2 66 B15R2.63911 CC1(CC(=O)C2=CN=C(N=C2C1)S)C MCULE-2255954080 [1,1,0,0,0,0|0,0,0]=2 67 B15R2.63911 CC1(CC(=O)C2=CN=C(N=C2C1)[S-])C MCULE-7833816686 [1,1,0,0,0,0|0,0,0]=2 68 B15R2.63911 CC1(CC2=NC(=CC=C2C(=O)O1)Cl)C MCULE-4744063284 [1,1,0,0,0,0|2,0,0]=4 69 B15R2.63911 CC1(CC2=NC(=CC=C2C(=O)O1)N)C MCULE-7337342624 [1,1,0,0,0,0|2,0,0]=4 70 B15R2.63911 CC1(CC2=NC(=N)NC=C2C(=O)N1)C MCULE-1285013690 [1,1,0,0,0,0|1,0,1]=4 71 B15R2.91551 CCC1=NNC2=C1C(=O)CC(C2)(C)C MCULE-9763028069 [0,1,0,0,1,0|1,0,1]=4 72 B15R2.91551 CCC1=NOC2=C1C(=O)CC(C2)(C)C MCULE-6054130451 [0,1,0,0,1,0|2,0,0]=4 73 B15R2.91551 CSC1=C2C(=O)CC(CC2=CS1)(C)C MCULE-7478234661 [0,1,0,0,1,0|2,0,0]=4 74 B15R2.155263 CC1=C(C2=C(N1)CC(CC2=O)(C)C)C MCULE-3526510890 [0,1,0,0,1,0|1,0,1]=4 75 B17R2.1211306 CCC1=NC(=NC2=C1C(=O)CC(C2)(C)C)N MCULE-8030617322 [0,2,0,0,0,0|1,0,0]=3 76 B15R2.13588 CC(C)(C)N1N=CC2=C1N=CN=C2N MCULE-8711472714 [0,0,1,1,0,0|2,0,0]=4 77 B13R1.3561 CC(C)(C)OC(=O)C1=C(SC=C1)N MCULE-9372082348 [0,0,1,0,1,0|2,0,0]=4 78 B13R1.3561 CC(C)(C)OC(=O)C1=CNN=C1N MCULE-4272349837 [0,0,1,0,1,0|1,0,1]=4 79 B13R1.3561 CC(C)(C)OC(=O)N1C=CN=C1N MCULE-8527728616 [0,0,1,0,1,0|2,0,0]=4 80 B13R1.3561 CC(C)(C)OC(=O)N1C=NN=C1N MCULE-7460070251 [0,0,1,0,1,0|2,0,0]=4 81 B13R1.295 CC(C)C1=C(C(=NC=C1)N)C(=O)N MCULE-6481242121 [0,0,1,0,1,0|2,0,0]=4 82 B13R2.3736 CC1(COC2=C(C=NN2C1)N)C MCULE-5880420533 [1,0,0,0,1,0|2,0,0]=4 83 B13R2.3736 CC1(COC2=C(C=NN2C1)N)C MCULE-8789311299 [1,0,0,0,1,0|2,0,0]=4 84 B13R2.243 CC1(CC2=C(C1=O)C=CC=C2)C MCULE-9456764560 [1,0,0,0,1,0|2,0,0]=4 85 B13R2.5232 CC1(CC(=O)C2=C(C1)C=CO2)C MCULE-6358577648 [1,0,0,0,1,0|2,0,0]=4 86 B13R2.5232 CC1(CC(=O)C2=C(C1)NC=C2)C MCULE-3037426120 [1,0,0,0,1,0|0,0,1]=3 87 B13R2.5232 CC1(CC(=O)C2=C(C1)NC=N2)C MCULE-4716652651 [1,0,0,0,1,0|0,0,1]=3 88 B13R2.5232 CC1(CC(=O)C2=C(C1)NN=C2)C MCULE-9729579289 [1,0,0,0,1,0|0,0,1]=3 89 B13R2.5232 CC1(CC(=O)C2=C(C1)OC=C2)C MCULE-1395853824 [1,0,0,0,1,0|1,0,0]=3 90 B13R2.12159 CC1(CC(=O)C2=C1C=CC=C2)C MCULE-5253339062 [1,0,0,0,1,0|2,0,0]=4 91 B15R1.5802 CC(C)(C)OC(=O)NC1=C(N=CN=C1)O MCULE-1048283654 [0,0,1,0,0,1|2,0,0]=4 92 B15R1.5802 CC(C)(C)OC(=O)OC1=CC=CN=C1N MCULE-7436728936 [0,0,1,0,0,1|2,0,0]=4 93 B15R1.8265 CC(C)CNC1=C(C(=NC=N1)N)N(=O)=O MCULE-9465842065 [0,0,1,0,0,1|2,0,0]=4 94 B15R2.61346 CC1(CNC(=O)C2=C(C=CC=C12)N)C MCULE-9949846192 [0,0,0,0,1,1|2,0,0]=4 95 B15R2.61354 CC1(CC(=O)NC2=C1C=CC=C2N)C MCULE-3013940427 [0,0,0,0,1,1|2,0,0]=4