0 B17R2.204604 CC1=CC(NC2=C1C=C(C=C2)SC#N)(C)C MCULE-2488938780 [0,0,0,0,0,0|1,1,1]=3 1 B17R2.204604 CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C MCULE-2419717294 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.204604 CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C MCULE-3525190362 [0,0,0,0,0,0|0,0,0]=0 3 B17R2.204604 CCOC1=CC2=C(C=C1)NC(CC2C)(C)C MCULE-3419371092 [0,0,0,0,0,0|0,0,2]=2 4 B17R2.204604 CCOC1=CC2=C(C=C1)NC(NC2=O)(C)C MCULE-4352173480 [0,0,0,0,0,0|2,0,0]=2 5 B17R2.204604 CCOC1=CC=C2NC(CC(C2=C1)C)(C)C MCULE-5042738489 [0,0,0,0,0,0|0,0,2]=2 6 B17R2.204604 CCOC1=CC=C2OC(CC(C2=C1)O)(C)C MCULE-2860882032 [0,0,0,0,0,0|2,0,2]=4 7 B16R2.107862 CCOC1=CC2=C(C=C(N=C2C=C1)C)Br MCULE-7692552616 [1,0,0,0,0,0|1,0,2]=4 8 B16R2.107862 CCOC1=CC2=C(C=C(N=C2C=C1)C)S MCULE-8073925735 [1,0,0,0,0,0|1,0,2]=4 9 B16R2.107862 CCOC1=CC2=C(C=C1)NC(=CC2=O)C MCULE-3777389151 [1,0,0,0,0,0|1,0,1]=3 10 B16R2.107862 CCOC1=CC2=C(C=C1)OC(=O)C=C2C MCULE-4850696059 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.107862 CCOC1=CC=C2N=C(C=C(C2=C1)C)C MCULE-7873415324 [1,0,0,0,0,0|0,0,2]=3 12 B16R2.107862 CCOC1=CC=C2N=C(C=C(C2=C1)Cl)C MCULE-5037620208 [1,0,0,0,0,0|1,0,2]=4 13 B16R2.204026 CCC1=CC2=C(C=C1)NC(C=C2C)(C)C MCULE-8826016792 [1,0,0,0,0,0|0,0,0]=1 14 B16R2.204026 CCC1=CC2=C(C=C1)NC(CC2C)(C)C MCULE-4137153681 [1,0,0,0,0,0|0,0,2]=3 15 B16R2.204026 COC1=CC2=C(C=C1)NC(NC2=O)(C)C MCULE-3254800684 [1,0,0,0,0,0|2,0,0]=3 16 B16R2.204026 COC1=CC2=C(C=C1)OC(CC2=O)(C)C MCULE-9997080281 [1,0,0,0,0,0|2,0,1]=4 17 B16R2.204026 COC1=CC=C2NC(C=C(C2=C1)C)(C)C MCULE-3445830317 [1,0,0,0,0,0|0,0,0]=1 18 B16R2.204026 COC1=CC=C2NC(CC(C2=C1)C)(C)C MCULE-9416620440 [1,0,0,0,0,0|0,0,2]=3 19 B16R2.204026 COC1=CC=C2NC(CC(C2=C1)C)(C)C MCULE-9427008053 [1,0,0,0,0,0|0,0,2]=3 20 B18R2.1271074 CC(=O)NC1=CC=C2NC(C=C(C2=C1)C)(C)C MCULE-4076125327 [0,1,0,0,0,0|1,0,1]=3 21 B18R2.1271074 CC(=O)OC1=CC2=C(C=C1)NC(C=C2C)(C)C MCULE-7905826105 [0,1,0,0,0,0|0,0,1]=2 22 B16R1.13210 CCOC1=CC(=CC=C1)C(=O)CC(C)(C)C MCULE-9201700039 [0,0,1,0,0,0|2,0,1]=4 23 B18R3.915034 CC1=CC(NC2=C1C=C3OCOC3=C2)(C)C MCULE-9464708689 [0,0,0,1,0,0|1,0,0]=2 24 B18R3.915034 CC1=CC([NH2+]C2=C1C=C3OCOC3=C2)(C)C MCULE-7682979027 [0,0,0,1,0,0|1,0,1]=3 25 B15R1.5643 CC=CC(=O)NC1=CC=C(C=C1)OCC MCULE-3338132917 [1,0,1,0,0,0|1,0,1]=4 26 B15R1.566 CCOC1=CC(=CC=C1)C(=O)C=C(C)C MCULE-1463469302 [1,0,1,0,0,0|1,0,1]=4 27 B15R1.566 CCOC1=CC(=CC=C1)C(=O)CC(C)C MCULE-5414412204 [1,0,1,0,0,0|1,0,1]=4 28 B15R1.9646 CCOC(=O)C1=C(C=CC(=C1)OCC)N MCULE-9877403118 [1,0,1,0,0,0|2,0,0]=4 29 B15R2.4779 COC1=CC2=C(C=C1)OC(C=C2)(C)C MCULE-9743425680 [2,0,0,0,0,0|1,0,0]=3 30 B15R2.10252 CCOC1=CC2=C(C=C1)N=C(C=C2)C MCULE-3663245257 [2,0,0,0,0,0|0,0,2]=4 31 B15R2.21329 CCC1=CC=C2NC(=O)C=C(C2=C1)C MCULE-7328789484 [2,0,0,0,0,0|1,0,1]=4 32 B15R2.21329 COC1=CC2=C(C=C1)NC(=CC2=S)C MCULE-1066792691 [2,0,0,0,0,0|1,0,1]=4 33 B15R2.50278 CC1=CC(N=C2C1=CC(=O)C=C2)(C)C MCULE-4631038262 [2,0,0,0,0,0|0,0,2]=4 34 B15R2.50278 CC1=CC(NC2=C1C=C(C=C2)Br)(C)C MCULE-3717899791 [2,0,0,0,0,0|1,0,0]=3 35 B15R2.50278 CC1=CC(NC2=C1C=C(C=C2)Cl)(C)C MCULE-8458977457 [2,0,0,0,0,0|1,0,0]=3 36 B15R2.50278 CC1=CC(NC2=C1C=C(C=C2)O)(C)C MCULE-7322788975 [2,0,0,0,0,0|0,0,0]=2 37 B15R2.50278 CC1=CC(NC2=C1C=C(C=C2)S)(C)C MCULE-3273685218 [2,0,0,0,0,0|0,1,0]=3 38 B15R2.50278 CC1=CC(NC2=CC=C(C=C12)F)(C)C MCULE-4733307527 [2,0,0,0,0,0|1,0,0]=3 39 B15R2.50278 CC1=CC(NC2=CC=C(C=C12)F)(C)C MCULE-7466098417 [2,0,0,0,0,0|1,0,0]=3 40 B15R2.50278 CC1=CC2=C(C=C1)NC(C=C2C)(C)C MCULE-5331361451 [2,0,0,0,0,0|0,0,0]=2 41 B15R2.50278 CC1=CC=C2NC(CC(C2=C1)C)(C)C MCULE-3424195302 [2,0,0,0,0,0|0,0,2]=4 42 B15R2.50278 CC1=CC=C2NC(CC(C2=C1)C)(C)C MCULE-9576894310 [2,0,0,0,0,0|0,0,2]=4 43 B15R2.50278 CC1CC(NC2=C1C=C(C=C2)O)(C)C MCULE-2698567359 [2,0,0,0,0,0|0,0,2]=4 44 B15R2.50278 CC1CC(NC2=C1C=C(C=C2)O)(C)C MCULE-3453700843 [2,0,0,0,0,0|0,0,2]=4 45 B17R2.412227 CC1=CC(N(C2=C1C=C(C=C2)C=O)C)(C)C MCULE-6209292909 [1,1,0,0,0,0|1,0,1]=4 46 B17R2.412227 COC1=CC=C2C(=C1)C(=CC(N2C)(C)C)C MCULE-4576945730 [1,1,0,0,0,0|0,0,0]=2 47 B17R2.915365 CC1=CC(NC2=C1C=C(C=C2)C(=O)O)(C)C MCULE-7959323327 [1,1,0,0,0,0|1,0,1]=4 48 B19R2.6669396 CCOC(=O)C1=CC=C2NC(C=C(C2=C1)C)(C)C MCULE-4504026510 [0,2,0,0,0,0|0,0,0]=2 49 B19R2.6669396 CCOC(=O)C1=CC=C2NC(CC(C2=C1)C)(C)C MCULE-3741410713 [0,2,0,0,0,0|0,0,2]=4 50 B19R2.5788387 CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C)(C)C MCULE-7844997896 [0,2,0,0,0,0|1,0,0]=3 51 B19R3.458197 CC1=NC(CC2=C1C=C3OCCOC3=C2)(C)C MCULE-7811851418 [0,1,0,1,0,0|2,0,0]=4 52 B15R1.9454 CCOC1=CC(=CC=C1)C(=O)C(C)(C)C MCULE-8503670663 [0,0,1,0,1,0|2,0,0]=4 53 B15R2.4796 COC1=CC=C2CC(C(=O)C2=C1)(C)C MCULE-1902062478 [1,0,0,0,1,0|2,0,0]=4