0 B16R2.27401 C=C(C)CCNC1=NC=NC2=C1NC=N2 MCULE-3651163392 [0,0,0,0,0,0|0,0,4]=4 1 B16R2.27401 CC(=CCNC1=NC=NC2=C1NC=N2)C MCULE-6781114249 [0,0,0,0,0,0|0,0,2]=2 2 B16R2.27401 CC(C)CCNC1=NC=NC2=C1C=NN2 MCULE-8974020719 [0,0,0,0,0,0|2,0,2]=4 3 B16R2.27401 CC(C)CCNC1=NC=NC2=C1NC=N2 MCULE-9908388452 [0,0,0,0,0,0|0,0,4]=4 4 B16R2.27401 O=C(O)CCNC1=NC=NC2=C1N=CN2 MCULE-7324703760 [0,0,0,0,0,0|2,0,1]=3 5 B16R2.27401 O=C(O)CCSC1=NC=NC2=C1N=CN2 MCULE-3294727110 [0,0,0,0,0,0|3,0,1]=4 6 B15R2.4278 CCCCOC1=C2N=CNC2=NC=N1 MCULE-9736863248 [1,0,0,0,0,0|1,0,2]=4 7 B15R2.4278 COCCNC1=NC=NC2=C1N=CN2 MCULE-3156167697 [1,0,0,0,0,0|1,0,1]=3 8 B15R2.4278 OCCCNC1=NC=NC2=C1N=CN2 MCULE-1960301888 [1,0,0,0,0,0|1,0,2]=4 9 B17R2.4967 NC1=NC2=C(N=CN2)C(=N1)NCCC(=O)O MCULE-5627490544 [0,1,0,0,0,0|2,0,1]=4 10 B17R2.4967 O=C(O)CCNC1=C2N=CNC2=NC(=N1)Cl MCULE-9708442665 [0,1,0,0,0,0|2,0,1]=4 11 B17R2.60842 C/C(=C\CNC1=C2NC=NC2=NC=N1)/CO MCULE-2861113770 [0,1,0,0,0,0|0,0,2]=3 12 B17R2.60842 CC(=CCNC1=NC=NC2=C1NC=N2)CO MCULE-7761672825 [0,1,0,0,0,0|0,0,2]=3 13 B17R2.84729 CN(C)C(=O)CNC1=NC=NC2=C1C=NN2 MCULE-4185253284 [0,1,0,0,0,0|3,0,0]=4 14 B17R2.184950 CN(C)CCNC1=C2C(=CNC2=NC=N1)Br MCULE-7367112040 [0,1,0,0,0,0|2,0,1]=4 15 B17R3.17527 CC1=CN(N=C1)C2=C3C=CNC3=NC=N2 MCULE-1443016419 [0,0,0,1,0,0|2,0,1]=4 16 B17R3.17527 OC1CCN(C1)C2=NC=NC3=C2N=CN3 MCULE-8986877242 [0,0,0,1,0,0|1,0,2]=4 17 B15R2.19753 CC(=O)CSC1=C2N=CNC2=NC=N1 MCULE-1335580895 [0,0,0,0,1,0|2,0,0]=3 18 B15R2.19753 CC(C)CNC1=NC=NC2=C1N=CN2 MCULE-9869968438 [0,0,0,0,1,0|0,0,1]=2 19 B15R2.19753 CC(O)CNC1=NC=NC2=C1N=CN2 MCULE-6384166268 [0,0,0,0,1,0|1,0,1]=3 20 B15R2.19753 NC(=O)CSC1=NC=NC2=C1N=CN2 MCULE-2924072766 [0,0,0,0,1,0|3,0,0]=4 21 B15R2.19753 O=C(O)CNC1=NC=NC2=C1N=CN2 MCULE-9172421979 [0,0,0,0,1,0|2,0,0]=3 22 B15R2.19753 O=C(O)CSC1=NC=NC2=C1N=CN2 MCULE-5635646442 [0,0,0,0,1,0|3,0,0]=4 23 B17R2.44757 O=C(O)CCCNC1=NC=NC2=C1N=CN2 MCULE-5695849551 [0,0,0,0,0,1|2,0,1]=4 24 B14R2.892 C=CCNC1=NC=NC2=C1C=CS2 MCULE-9949223117 [2,0,0,0,0,0|2,0,0]=4 25 B14R2.892 C=CCNC1=NC=NC2=C1C=NN2 MCULE-6608993331 [2,0,0,0,0,0|2,0,0]=4 26 B14R2.892 C=CCNC1=NC=NC2=C1N=CN2 MCULE-1957532765 [2,0,0,0,0,0|0,0,0]=2 27 B14R2.892 C=CCNC1=NC=NC2=C1SC=C2 MCULE-7492914971 [2,0,0,0,0,0|2,0,0]=4 28 B14R2.892 C=CCSC1=C2N=CNC2=NC=N1 MCULE-3193512697 [2,0,0,0,0,0|1,0,0]=3 29 B14R2.892 CCCNC1=NC=NC2=C1C=CN2 MCULE-6062050740 [2,0,0,0,0,0|1,0,1]=4 30 B14R2.892 CCCNC1=NC=NC2=C1N=CN2 MCULE-2702525876 [2,0,0,0,0,0|0,0,1]=3 31 B14R2.892 CCCOC1=NC=NC2=C1N=CN2 MCULE-8846307984 [2,0,0,0,0,0|1,0,1]=4 32 B14R2.892 CCCSC1=NC=NC2=C1N=CN2 MCULE-4253379810 [2,0,0,0,0,0|1,0,1]=4 33 B14R2.892 NCCNC1=C2N=CNC2=NC=N1 MCULE-6432839292 [2,0,0,0,0,0|1,0,1]=4 34 B14R2.892 OCCNC1=NC=NC2=C1N=CN2 MCULE-6037654535 [2,0,0,0,0,0|1,0,1]=4 35 B16R2.11632 OCCCCNC1=NC=NC2=C1N=CN2 MCULE-9885558903 [1,1,0,0,0,0|0,0,2]=4 36 B16R2.29551 COCC(C)NC1=NC=NC2=C1N=CN2 MCULE-7618711154 [1,1,0,0,0,0|1,0,1]=4 37 B16R2.33648 COC(=O)CSC1=C2N=CNC2=NC=N1 MCULE-1960627095 [1,1,0,0,0,0|2,0,0]=4 38 B16R2.11 CC(C)CNC1=NC=NC2=C1N=NN2C MCULE-5411188670 [0,1,0,0,1,0|1,0,1]=4 39 B16R2.3962 NC1=NC2=C(N=CN2)C(=N1)NCC(=O)O MCULE-6395985203 [0,1,0,0,1,0|2,0,0]=4 40 B16R2.3962 O=C(O)CNC1=C2N=CNC2=NC(=N1)Cl MCULE-8859450831 [0,1,0,0,1,0|2,0,0]=4 41 B16R2.49441 CC(C)C(=O)NC1=C2N=CNC2=NC=N1 MCULE-8999129745 [0,1,0,0,1,0|0,0,1]=3 42 B16R2.49441 CC(NC1=C2N=CNC2=NC=N1)C(=O)O MCULE-4832433657 [0,1,0,0,1,0|2,0,0]=4 43 B16R2.49441 C[C@@H](NC1=NC=NC2=C1N=CN2)C(=O)O MCULE-1074477761 [0,1,0,0,1,0|2,0,0]=4 44 B18R2.32 CCN1C=NC2=C1N=CN=C2NCCN(C)C MCULE-9589872915 [0,2,0,0,0,0|1,0,1]=4 45 B16R2.22833 CC(=CCN1C=NC2=C1N=CN=C2N)C MCULE-5302446529 [0,0,1,1,0,0|0,0,0]=2 46 B16R3.5924 C1=NC2=C(N=CN2)C(=N1)N3CCCC3 MCULE-3551935649 [1,0,0,1,0,0|0,0,2]=4 47 B14R2.9440 CC(=O)NC1=NC=NC2=C1N=NN2 MCULE-6977473403 [0,0,0,0,2,0|2,0,0]=4