0 B14R1.444 CCNC1=NC(=NC(=N1)NC(C)C)Cl MCULE-1965771911 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.444 CCNC1=NC(=NC(=N1)O)NC(C)C MCULE-7188879208 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.444 CCNC1=NC(=S)NC(=N1)NC(C)C MCULE-1641967212 [0,0,0,0,0,0|1,0,1]=2 3 B13R1.56 COC1=NC(=NC(=N1)N)NC(C)C MCULE-4996714081 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.56 CSC1=NC(=CC(=N1)NC(C)C)Cl MCULE-3409564034 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.357 CCNC1=NC(=NC(=N1)NCC)Cl MCULE-8279853852 [1,0,0,0,0,0|0,0,0]=1 6 B13R1.357 CCNC1=NC(=NC(=N1)OCC)C MCULE-1544602584 [1,0,0,0,0,0|2,0,0]=3 7 B15R1.1011 C=CCNC1=NC(=NC(=N1)Cl)NC(C)C MCULE-7058589412 [0,1,0,0,0,0|0,0,1]=2 8 B15R1.1011 CC(C)NC1=NC(=NC(=N1)Cl)NCCO MCULE-4664740750 [0,1,0,0,0,0|0,0,0]=1 9 B15R1.3646 CCNC1=NC(=NC(=N1)NC(C)(C)C)Cl MCULE-1125068952 [0,1,0,0,0,0|0,0,0]=1 10 B15R1.5463 CC(C)NC1=NC(=NC(=N1)NC(C)C)Cl MCULE-6161065643 [0,1,0,0,0,0|0,0,0]=1 11 B15R1.9252 CCNC1=NC(=NC(=N1)OC)NC(C)C MCULE-8189013250 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.9252 CCNC1=NC(=NC(=N1)SC)NC(C)C MCULE-2605690729 [0,1,0,0,0,0|1,0,0]=2 13 B15R1.9253 CCNC1=NC(=NC(=N1)Cl)NC(C)CC MCULE-6040074115 [0,1,0,0,0,0|0,0,0]=1 14 B15R2.970 CC1=NC(=C2CCCC2=N1)NC(C)C MCULE-2945669594 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.6872 CC1=NC(=NC(=C1)NC(C)C)C2CC2 MCULE-7128011990 [0,0,0,1,0,0|3,0,0]=4 16 B13R1.31 CCNC1=CC(=NC(=N1)S(=O)C)Cl MCULE-9444625192 [0,0,0,0,1,0|3,0,0]=4 17 B13R1.31 CCSC1=NC(=NC(=N1)C(C)C)N MCULE-9521539672 [0,0,0,0,1,0|2,0,0]=3 18 B15R1.3645 CCNC1=NC(=NC(=N1)N)ON=C(C)C MCULE-3183472321 [0,0,0,0,0,1|1,0,2]=4 19 B12R1.41 CCNC1=CC(=NC(=N1)SC)Cl MCULE-3618524012 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.41 CCOC1=NC(=NC(=N1)C)NC MCULE-6550994709 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.41 CCOC1=NC(=NC(=N1)NC)N MCULE-6460067395 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.101 CC(C)CC1=NC(=NC(=C1)Cl)N MCULE-5959506704 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.101 CC(C)NC1=CC(=NC(=N1)N)Cl MCULE-6641542840 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.101 CC(C)NC1=NC(=CC(=N1)Cl)Cl MCULE-4169588244 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.101 CC(C)NC1=NC(=NC(=C1)Cl)Cl MCULE-9778179784 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.101 CC(C)NC1=NC(=NC(=N1)Cl)Cl MCULE-3502504537 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.101 CC(C)NC1=NC(=NC(=N1)Cl)N MCULE-4199056045 [2,0,0,0,0,0|0,0,0]=2 28 B12R1.101 CC(C)OC1=CC(=NC(=N1)N)Cl MCULE-7829187709 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.101 CC(C)OC1=NC(=NC(=N1)N)N MCULE-9391355889 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.101 CC(C)SC1=CC(=NC(=N1)N)Cl MCULE-6215796506 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.101 CC1=CC(=NC(=N1)Cl)NC(C)C MCULE-2477435697 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.101 CC1=CC(=NC(=N1)NC(C)C)Cl MCULE-1607024668 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.101 CC1=NC(=CC(=N1)SC(C)C)Cl MCULE-2850381618 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.438 CCC1=NC=NC(=C1)NC(C)C MCULE-7095554962 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.438 COC1=NC(=NC=C1)NC(C)C MCULE-7306331948 [2,0,0,0,0,0|2,0,0]=4 36 B14R1.377 CNC1=NC(=NC(=N1)Cl)NC(C)(C)C MCULE-1619015603 [1,1,0,0,0,0|0,0,0]=2 37 B14R1.377 COC1=NC(=NC(=N1)NC(C)(C)C)N MCULE-4310861723 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.379 CNC1=NC(=NC(=N1)NC(C)C)SC MCULE-9777030334 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.4256 CC(C)NC1=NC(=NC(=C1)Cl)S(=O)C MCULE-5708888620 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.762 C=CCNC1=NC(=NC(=N1)Cl)NCC MCULE-1023057338 [1,1,0,0,0,0|0,0,1]=3 41 B14R1.762 CCCNC1=NC(=NC(=N1)Cl)NCC MCULE-3268370315 [1,1,0,0,0,0|0,0,0]=2 42 B14R1.762 CCNC1=NC(=CC(=N1)NCCN)C MCULE-7194218528 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.3209 CCNC1=NC(=NC(=N1)NCC)C#N MCULE-3870211597 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.3209 CCNC1=NC(=NC(=N1)NCC)NN MCULE-1678653658 [1,1,0,0,0,0|1,0,0]=3 45 B14R1.3209 CCNC1=NC(=NC(=N1)OC)NCC MCULE-4869506796 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.3209 CCNC1=NC(=NC(=N1)OCC)CC MCULE-4259578570 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.3209 CCNC1=NC(=NC(=N1)SC)NCC MCULE-6399797666 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.3213 CCNC1=NC(=NC(=N1)N(C)C#N)Cl MCULE-5127395729 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.3235 CCNC1=NC(=C(C(=N1)C)N)NCC MCULE-3219876757 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.3235 CCNC1=NC(=C(C(=N1)C)N)NCC MCULE-3518039798 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.811 CC(C)NC1=CC=CC(=N1)NC(C)C MCULE-7439789547 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.127 C=CCNC1=NC(=NC(=N1)Cl)N(C)C MCULE-7320640548 [0,1,0,0,1,0|1,0,1]=4 53 B14R1.127 CC1=NC(=NC(=C1)NCCN)C(C)C MCULE-4543278184 [0,1,0,0,1,0|2,0,0]=4 54 B14R1.712 CON(C)C1=NC(=NC(=N1)Cl)N(C)C MCULE-5188626927 [0,1,0,0,1,0|2,0,0]=4 55 B16R1.6829 C=CCNC1=NC(=NC(=N1)NC(C)(C)C)Cl MCULE-5388425796 [0,2,0,0,0,0|0,0,1]=3 56 B16R1.6829 CC(C)(C)NC1=NC(=NC(=N1)Cl)NCCO MCULE-8135692169 [0,2,0,0,0,0|0,0,0]=2 57 B16R1.6829 CCCNC1=NC(=NC(=N1)NC(C)(C)C)Cl MCULE-7949424237 [0,2,0,0,0,0|0,0,0]=2 58 B16R1.17511 C=CCNC1=NC(=NC(=N1)OC)NC(C)C MCULE-1991231555 [0,2,0,0,0,0|1,0,1]=4 59 B16R1.12808 CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N MCULE-8689553441 [0,2,0,0,0,0|0,0,0]=2 60 B16R1.12808 CCNC1=NC(=NC(=N1)Cl)NC(C)(C)CO MCULE-2246447727 [0,2,0,0,0,0|0,0,0]=2 61 B16R1.12809 CCNC1=NC(=NC(=N1)NC(C)(C)C)OC MCULE-8558846714 [0,2,0,0,0,0|1,0,0]=3 62 B16R1.12809 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C MCULE-7277402178 [0,2,0,0,0,0|1,0,0]=3 63 B16R1.478 C#CC1=NC(=NC(=N1)NC(C)C)NC(C)C MCULE-8889964944 [0,2,0,0,0,0|1,0,0]=3 64 B16R1.478 CC(C)NC1=NC(=NC(=N1)NC(C)C)C#N MCULE-2659699529 [0,2,0,0,0,0|1,0,0]=3 65 B16R1.478 COC1=NC(=NC(=N1)NC(C)C)NC(C)C MCULE-9719565564 [0,2,0,0,0,0|1,0,0]=3 66 B16R1.478 CSC1=NC(=NC(=N1)NC(C)C)NC(C)C MCULE-8449557554 [0,2,0,0,0,0|1,0,0]=3 67 B16R1.4072 CCNC1=NC(=NC(=N1)OC)NC(C)CC MCULE-1370875221 [0,2,0,0,0,0|1,0,0]=3 68 B16R1.4073 CCNC1=NC(=NC(=N1)NC(C)C)OCC MCULE-3348012823 [0,2,0,0,0,0|1,0,0]=3 69 B16R1.4096 CCNC1=NC(=NC(=N1)C(=O)O)NC(C)C MCULE-7157758382 [0,2,0,0,0,0|1,0,0]=3 70 B14R2.745 CSC1=NC(=CC(=N1)NC2CC2)Cl MCULE-2483100548 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.1007 CC(C)NC1=CC(=NC=N1)C2CC2 MCULE-7029001264 [1,0,0,1,0,0|2,0,0]=4 72 B14R2.1007 CC(C)NC1=NC(=NC=C1)C2CC2 MCULE-2394630937 [1,0,0,1,0,0|2,0,0]=4 73 B14R2.628 CC(C)C1=C2CCCC2=NC(=N1)Cl MCULE-6502542357 [0,0,0,1,1,0|2,0,0]=4 74 B14R2.4356 CC(C)C1=NC(=NC(=N1)C2CC2)N MCULE-8099931815 [0,0,0,1,1,0|2,0,0]=4 75 B12R1.11 CCC1=NC(=CC(=N1)Cl)C(C)C MCULE-2445297352 [1,0,0,0,1,0|1,0,0]=3 76 B12R1.11 CCC1=NC(=NC(=C1)Cl)N(C)C MCULE-4447478432 [1,0,0,0,1,0|2,0,0]=4 77 B12R1.11 CNC1=CC(=NC(=N1)C(C)C)C MCULE-3838042682 [1,0,0,0,1,0|2,0,0]=4 78 B12R1.11 CNC1=NC(=NC(=N1)C(C)C)Cl MCULE-6654496216 [1,0,0,0,1,0|0,0,0]=2 79 B12R1.11 CSC1=NC(=NC(=N1)C(C)C)N MCULE-2165817966 [1,0,0,0,1,0|2,0,0]=4 80 B14R1.140 CCNC1=NN=C(NC1=S)NC(C)C MCULE-5954442993 [0,0,0,0,1,1|1,0,1]=4