0 B21R2.253903 CC(C)C1=CC=C(C=C1)C=NC2=C(C=CC=C2)C(=O)N MCULE-2770724714 [0,0,0,0,0,0|3,0,0]=3 1 B21R2.253903 CC(C)C1=CC=C(C=C1)OCC2=C(C=CC=C2)C(=O)O MCULE-3772048088 [0,0,0,0,0,0|3,0,0]=3 2 B21R2.253903 CN(C)C1=CC=C(C=C1)/N=N/C2=C(C=CC=C2)N(=O)=O MCULE-5728886120 [0,0,0,0,0,0|1,0,1]=2 3 B21R2.253903 CN(C)C1=CC=C(C=C1)/N=N/C2=CC=CC=C2C(=O)O MCULE-2837783286 [0,0,0,0,0,0|0,0,0]=0 4 B21R2.253903 CN(C)C1=CC=C(C=C1)/N=N/C2=CC=CC=C2C(=O)O MCULE-9786030104 [0,0,0,0,0,0|0,0,0]=0 5 B21R2.253903 CN(C)C1=CC=C(C=C1)/N=N/C2=CC=CC=C2C(=O)[O-] MCULE-2536742838 [0,0,0,0,0,0|0,0,1]=1 6 B21R2.253903 CN(C)C1=CC=C(C=C1)C=NC2=C(C=CC=C2)C(=O)N MCULE-2846992273 [0,0,0,0,0,0|2,0,0]=2 7 B21R2.253903 CN(C)C1=CC=C(C=C1)C=NC2=C(C=CC=C2)C(=O)O MCULE-2082191784 [0,0,0,0,0,0|1,0,0]=1 8 B21R2.253903 CN(C)C1=CC=C(C=C1)C=NC2=C(C=CC=C2)C(=O)O MCULE-6798232192 [0,0,0,0,0,0|1,0,0]=1 9 B21R2.253903 CN(C)C1=CC=C(C=C1)N=NC2=C(C=CC=C2)C(=O)O MCULE-7342820151 [0,0,0,0,0,0|0,0,0]=0 10 B21R2.253903 CN(C)C1=CC=C(C=C1)N=NC2=C(C=CC=C2)C(=O)[O-] MCULE-8804489986 [0,0,0,0,0,0|0,0,1]=1 11 B21R2.253903 CN(C)C1=CC=C(C=C1)N=NC2=C(C=CC=C2)[N+](=O)[O-] MCULE-7987803436 [0,0,0,0,0,0|1,0,1]=2 12 B21R2.253903 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O MCULE-1428966837 [0,0,0,0,0,0|0,0,0]=0 13 B20R2.5455 CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O MCULE-7316777752 [1,0,0,0,0,0|3,0,0]=4 14 B20R2.5455 COC1=CC=C(C=C1)C=NC2=C(C=CC=C2)C(=O)N MCULE-6141078481 [1,0,0,0,0,0|3,0,0]=4 15 B20R2.5455 COC1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)O MCULE-2800436552 [1,0,0,0,0,0|3,0,0]=4 16 B20R2.5455 COC1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O MCULE-4033316536 [1,0,0,0,0,0|3,0,0]=4 17 B20R2.5455 COC1=CC=C(C=C1)OCC2=C(C=CC=C2)C(=O)O MCULE-4430271635 [1,0,0,0,0,0|3,0,0]=4 18 B20R2.5455 CSC1=CC=C(C=C1)C=NC2=C(C=CC=C2)C(=O)N MCULE-9557965109 [1,0,0,0,0,0|3,0,0]=4 19 B20R2.18912 CN(C)C1=CC=C(C=C1)C=NC2=C(C=CC=C2)C#N MCULE-3845680601 [1,0,0,0,0,0|2,0,1]=4 20 B22R2.354649 CC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2)C(=O)O MCULE-8734921945 [0,1,0,0,0,0|2,0,1]=4 21 B22R2.354649 CN(C)C1=CC=C(C=C1)NC(=O)C2=CC=CN=C2C(=O)O MCULE-1627492942 [0,1,0,0,0,0|2,0,1]=4 22 B22R2.354751 CN(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N MCULE-3888046829 [0,1,0,0,0,0|2,0,1]=4 23 B22R2.552896 COC(=O)C1=C(C=CC=C1)N=NC2=CC=C(C=C2)N(C)C MCULE-9817679540 [0,1,0,0,0,0|0,0,0]=1 24 B22R3.673124 CN(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3)C(=N2)Cl MCULE-9507327980 [0,0,0,1,0,0|3,0,0]=4 25 B22R3.673124 CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2 MCULE-5280751438 [0,0,0,1,0,0|2,0,0]=3 26 B22R3.673124 CN(C)C1=CC=C(C=C1)C2CC(=O)C3=C(N2)C=CC=C3 MCULE-6727802106 [0,0,0,1,0,0|2,0,1]=4 27 B22R3.673124 CN(C)C1=CC=C(C=C1)C2NC(=O)C3=C(N2)C=CC=C3 MCULE-4244533935 [0,0,0,1,0,0|2,0,1]=4 28 B22R3.53741912 CC(C)C1=CC=C(C=C1)NC2OC(=O)C3=C2C=CC=C3 MCULE-1320467070 [0,0,0,1,0,0|2,0,1]=4 29 B20R2.10611 CC(=O)C1=CC=C(C=C1)NC2=C(C=CC=C2)C(=O)O MCULE-5838739654 [0,0,0,0,1,0|2,0,1]=4 30 B20R2.10611 CC(C)C1=CC=C(C=C1)NC2=NC=CC=C2C(=O)O MCULE-6166852495 [0,0,0,0,1,0|2,0,1]=4 31 B22R2.354679 CN(C)C1=CC=C(C=C1)C=NNC2=CC=CC=C2[N+](=O)[O-] MCULE-4238033326 [0,0,0,0,0,1|1,0,2]=4 32 B19R2.12239 CC1=CC=C(C=C1)C=NC2=C(C=CC=C2)C(=O)N MCULE-8227495650 [2,0,0,0,0,0|2,0,0]=4 33 B19R2.12239 CC1=CC=C(C=C1)COC2=CC=CC=C2C(=O)O MCULE-3206101749 [2,0,0,0,0,0|2,0,0]=4 34 B19R2.12239 CC1=CC=C(C=C1)CSC2=C(C=CC=C2)C(=O)O MCULE-6042646101 [2,0,0,0,0,0|2,0,0]=4 35 B19R2.12239 CC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O MCULE-3292151709 [2,0,0,0,0,0|2,0,0]=4 36 B19R2.12239 CC1=CC=C(C=C1)SCC2=C(C=CC=C2)C(=O)O MCULE-3909494840 [2,0,0,0,0,0|2,0,0]=4 37 B19R2.12239 NC1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O MCULE-6386630976 [2,0,0,0,0,0|2,0,0]=4 38 B19R2.12239 O=C(O)C1=C(C=CC=C1)/N=N/C2=CC=C(C=C2)O MCULE-8281342418 [2,0,0,0,0,0|1,0,0]=3 39 B19R2.12239 O=C(O)C1=C(C=CC=C1)/N=N\C2=CC=C(C=C2)O MCULE-9171668922 [2,0,0,0,0,0|1,0,0]=3 40 B19R2.12239 O=C(O)C1=C(C=CC=C1)N=NC2=CC=C(C=C2)O MCULE-9523486159 [2,0,0,0,0,0|1,0,0]=3 41 B19R2.12239 O=C1C=CC(=NNC2=CC=CC=C2C(=O)O)C=C1 MCULE-5493996794 [2,0,0,0,0,0|1,0,1]=4 42 B19R2.7506 CC(C)C1=CC=C(C=C1)N=CC2=C(C=CC=C2)O MCULE-1623869278 [2,0,0,0,0,0|2,0,0]=4 43 B19R2.7506 CC1=CC=CC=C1N=NC2=CC=C(C=C2)N(C)C MCULE-3034500064 [2,0,0,0,0,0|0,0,1]=3 44 B19R2.7506 CN(C)C1=CC=C(C=C1)/N=N/C2=C(C=CC=C2)Cl MCULE-1090458867 [2,0,0,0,0,0|1,0,0]=3 45 B19R2.7506 CN(C)C1=CC=C(C=C1)C=NC2=C(C=CC=C2)O MCULE-5240977497 [2,0,0,0,0,0|1,0,0]=3 46 B19R2.7506 CN(C)C1=CC=C(C=C1)C=NC2=CC=CC=C2Br MCULE-5854751489 [2,0,0,0,0,0|2,0,0]=4 47 B19R2.7506 CN(C)C1=CC=C(C=C1)C=NC2=CC=CC=C2Cl MCULE-2870188379 [2,0,0,0,0,0|2,0,0]=4 48 B19R2.7506 CN(C)C1=CC=C(C=C1)N=NC2=C(C=CC=C2)Cl MCULE-1929715434 [2,0,0,0,0,0|1,0,0]=3 49 B21R2.253965 CC(C)C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)C(=O)O MCULE-8326216485 [0,1,0,0,1,0|2,0,0]=4 50 B21R2.253965 CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O MCULE-1765497306 [0,1,0,0,1,0|1,0,0]=3 51 B23R2.470253 CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2C(=O)O MCULE-6903862639 [0,1,0,0,0,1|2,0,0]=4 52 B23R2.764903 COC(=O)C1=C(C=CC=C1)NC(=O)C2=CC=C(C=C2)N(C)C MCULE-7052686607 [0,2,0,0,0,0|1,0,1]=4 53 B23R2.449592 CCN(CC)C1=CC=C(C=C1)/N=N/C2=CC=CC=C2C(=O)O MCULE-5456926950 [0,2,0,0,0,0|0,0,0]=2 54 B23R2.449592 CCN(CC)C1=CC=C(C=C1)N=NC2=C(C=CC=C2)C(=O)O MCULE-9397133690 [0,2,0,0,0,0|0,0,0]=2 55 B23R2.449592 CCN(CC)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)[O-] MCULE-5921686777 [0,2,0,0,0,0|0,0,1]=3 56 B21R3.10038 CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 MCULE-3121173009 [1,0,0,1,0,0|2,0,0]=4 57 B21R3.10038 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 MCULE-5559509727 [1,0,0,1,0,0|2,0,0]=4 58 B21R3.23925 CN(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3)C=C2 MCULE-1127517183 [1,0,0,1,0,0|2,0,0]=4 59 B21R3.248001 CN(C)C1=CC=C(C=C1)N2SC3=C(C2=O)C=CC=C3 MCULE-4210143272 [1,0,0,1,0,0|1,0,1]=4 60 B23R3.919216 CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC(=C3N2)C(=O)O MCULE-8832869610 [0,1,0,1,0,0|1,0,1]=4 61 B23R3.16998266 CN(C)C1=CC=C(C=C1)/N=C\2/C=CC(=O)C3=C2C=CC=C3 MCULE-4033481230 [0,1,0,1,0,0|2,0,0]=4 62 B23R3.16998266 CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C3=C2C=CC=C3 MCULE-2720961846 [0,1,0,1,0,0|2,0,0]=4 63 B23R3.94741227 CN(C)C1=CC=C(C=C1)C(O)C2OC(=O)C3=C2C=CC=C3 MCULE-9507148925 [0,1,0,1,0,0|2,0,0]=4 64 B23R3.760912 CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 MCULE-8656837404 [0,1,0,1,0,0|2,0,0]=4 65 B23R3.8241371 CN(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC=C3)O MCULE-4245251673 [0,1,0,1,0,0|2,0,0]=4 66 B23R3.17092351 CN(C)C1=CC=C(C=C1)C=C2OC(=O)C3=CC(=CC=C23)N MCULE-7461125633 [0,1,0,1,0,0|2,0,0]=4 67 B19R2.115 COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O MCULE-8579305485 [1,0,0,0,1,0|1,0,1]=4 68 B19R2.115 COC1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O MCULE-4290484314 [1,0,0,0,1,0|2,0,0]=4 69 B19R2.115 COC1=CC=C(C=C1)SC2=C(C=CC=C2)C(=O)O MCULE-9564631299 [1,0,0,0,1,0|2,0,0]=4 70 B19R2.14483 CC(C)C1=CC=C(C=C1)OC2=CC=CC=C2C=O MCULE-1788394300 [1,0,0,0,1,0|2,0,0]=4 71 B19R2.8737 CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O MCULE-6275811568 [0,0,0,0,2,0|2,0,0]=4 72 B19R2.8737 CC(C)C1=CC=C(C=C1)C2=C(C=CC=C2)C(=O)O MCULE-5799837141 [0,0,0,0,2,0|1,0,0]=3 73 B19R2.8737 CC(C)C1=CC=C(C=C1)C2=C(N=CC=C2)C(=O)O MCULE-9386771581 [0,0,0,0,2,0|2,0,0]=4 74 B21R2.6161 COC1=CC=C(C=C1)C=NNC2=CC=CC=C2C(=O)O MCULE-3608336195 [1,0,0,0,0,1|1,0,1]=4 75 B21R2.6161 CSC1=CC=C(C=C1)C=NNC2=C(C=CC=C2)C(=O)O MCULE-4787019961 [1,0,0,0,0,1|1,0,1]=4 76 B21R2.253936 CC(=O)C1=CC(=CC=C1)N=CC2=CC=C(C=C2)N(C)C MCULE-4199568215 [0,0,0,0,1,1|2,0,0]=4 77 B21R2.253936 CC(C)C1=CC=C(C=C1)C=NC2=CC=CC(=C2)C(=O)O MCULE-1742324998 [0,0,0,0,1,1|2,0,0]=4 78 B21R2.253936 CN(C)C1=CC=C(C=C1)/N=N/C2=CC=CC(=C2)N(=O)=O MCULE-4956699859 [0,0,0,0,1,1|1,0,1]=4 79 B21R2.253936 CN(C)C1=CC=C(C=C1)C=NC2=CC(=CC=C2)C(=O)N MCULE-9514740240 [0,0,0,0,1,1|2,0,0]=4 80 B21R2.253936 CN(C)C1=CC=C(C=C1)N=NC2=CC(=CC=C2)C(=O)O MCULE-3304780140 [0,0,0,0,1,1|0,0,0]=2 81 B21R2.253936 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC(=C2)[N+](=O)[O-] MCULE-3366963545 [0,0,0,0,1,1|1,0,1]=4 82 B23R2.469007 CN(C)C1=CC=C(C=C1)N=CC2=CC=CC=C2OCC(=O)N MCULE-2865596146 [0,0,0,0,0,2|2,0,0]=4