0 B16R2.179941 CC(=NNC1=C2C=CC=CC2=CN=N1)C MCULE-6319377945 [0,0,0,0,0,0|0,0,0]=0 1 B16R2.179941 CC(=NNC1=NC=CC2=CC=CC=C12)C MCULE-4411596363 [0,0,0,0,0,0|1,0,0]=1 2 B16R2.179941 CC(=NNC1=NC=NC2=CC=CC=C12)C MCULE-6889861257 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 MCULE-6509347005 [0,0,0,0,0,0|4,0,0]=4 4 B16R2.179941 CC(C)CNC1=NC=NC2=C1C=CC=C2 MCULE-3862986838 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.179941 CC(C)CNC1=NC=NC2=C1C=CC=C2 MCULE-6818883024 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.179941 CC(C)NCC1=NC=CC2=C1C=CC=C2 MCULE-4205178366 [0,0,0,0,0,0|2,0,2]=4 7 B16R2.179941 CN(C)CNC1=C2C=CC=CC2=CC=C1 MCULE-2965864318 [0,0,0,0,0,0|4,0,0]=4 8 B16R2.179941 NC(=O)CSC1=C2C=CC=CC2=CN=N1 MCULE-8353741340 [0,0,0,0,0,0|4,0,0]=4 9 B16R2.179941 O=C(O)CSC1=NN=CC2=CC=CC=C12 MCULE-9596067407 [0,0,0,0,0,0|4,0,0]=4 10 B15R2.18471 C=CCNC1=NN=CC2=C1C=CC=C2 MCULE-5934699013 [1,0,0,0,0,0|1,0,1]=3 11 B15R2.18471 C=CCSC1=C2C=CC=CC2=CN=N1 MCULE-4617716709 [1,0,0,0,0,0|2,0,1]=4 12 B17R2.5014 CC(=NNC1=NC(=NC2=C1C=CC=C2)O)C MCULE-6320389200 [0,1,0,0,0,0|2,0,0]=3 13 B17R2.39629 CC(=N/N=C/1\NN=C(C2=C1C=CC=C2)Cl)C MCULE-8045576786 [0,1,0,0,0,0|0,0,2]=3 14 B17R2.39629 CC(C)CNC1=NN=C(C2=CC=CC=C12)Cl MCULE-6845923604 [0,1,0,0,0,0|1,0,1]=3 15 B17R2.353364 CNC(=S)NNC1=NN=CC2=CC=CC=C12 MCULE-1135008021 [0,1,0,0,0,0|1,0,1]=3 16 B15R1.86 COC1=CC=CC=C1C(=O)NN=C(C)C MCULE-3333117025 [0,0,1,0,0,0|3,0,0]=4 17 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=CC=C1 MCULE-8959631022 [0,0,0,0,1,0|3,0,0]=4 18 B15R2.68122 CC(=O)SC1=C2C=CC=CC2=CC=N1 MCULE-4296775677 [0,0,0,0,1,0|3,0,0]=4 19 B15R2.68122 CC(=O)SC1=C2C=CC=CC2=CN=N1 MCULE-1455124941 [0,0,0,0,1,0|2,0,0]=3 20 B15R2.68122 CC(=S)NC1=C2C=CC=CC2=CC=C1 MCULE-4372799869 [0,0,0,0,1,0|3,0,0]=4 21 B15R2.68122 CC(C)NC1=C2C=CC=CC2=NC=N1 MCULE-1308731926 [0,0,0,0,1,0|2,0,1]=4 22 B15R2.68122 NC(=O)NC1=NC=CC2=CC=CC=C12 MCULE-3615821627 [0,0,0,0,1,0|3,0,0]=4 23 B17R2.291558 O=C(O)C=NNC1=NN=CC2=C1C=CC=C2 MCULE-2216176210 [0,0,0,0,0,1|2,0,0]=3 24 B14R1.160 CC(=NNC(=O)C1=C(C=CC=C1)N)C MCULE-9036686988 [1,0,1,0,0,0|1,0,1]=4 25 B14R1.160 CC(=NNC(=O)C1=CC=CC=C1Cl)C MCULE-9983843514 [1,0,1,0,0,0|2,0,0]=4 26 B16R2.12192 C=CCNC1=NN=C(C2=C1C=CC=C2)C MCULE-8876422021 [1,1,0,0,0,0|1,0,1]=4 27 B16R2.12192 C=CCNC1=NN=C(C2=C1C=CC=C2)Cl MCULE-8605962852 [1,1,0,0,0,0|1,0,1]=4 28 B16R2.12192 CCCNC1=NN=C(C2=CC=CC=C12)Cl MCULE-3392043922 [1,1,0,0,0,0|1,0,1]=4 29 B16R2.24414 CC(C)NC1=NN=C(C2=CC=CC=C12)Cl MCULE-7518621670 [0,1,0,0,1,0|0,0,1]=3 30 B18R2.62417 CC1=C2C=CC=CC2=C(N=N1)NCCC(C)C MCULE-7367322014 [0,1,0,0,0,1|1,0,1]=4 31 B18R2.2459307 CC(=NNC(=O)C1=CC=CC2=C1C=CC=C2)C MCULE-9662823223 [0,1,0,0,0,1|2,0,0]=4 32 B18R2.95331 CCC(=N/N=C/1\NN=C(C2=C1C=CC=C2)Cl)C MCULE-5118190859 [0,2,0,0,0,0|0,0,2]=4 33 B18R2.892603 CCNC(=S)NNC1=C2C=CC=CC2=CN=N1 MCULE-3365087847 [0,2,0,0,0,0|1,0,1]=4 34 B18R3.98505 ClC1=NN=C(C2=C1C=CC=C2)NCC3CC3 MCULE-2956611959 [0,1,0,1,0,0|1,0,1]=4 35 B14R2.2 CC(=O)NC1=NN=C2N1C=CC=C2 MCULE-5532894215 [0,0,0,0,2,0|2,0,0]=4 36 B14R2.2 CC(C)NC1=NNC2=CC=CC=C12 MCULE-6904882908 [0,0,0,0,2,0|0,0,2]=4 37 B14R2.31359 CC(=O)C1=CN=CC2=C1C=CC=C2 MCULE-1954083133 [0,0,0,0,2,0|2,0,0]=4 38 B14R2.31359 CC(=O)C1=NC=CC2=C1C=CC=C2 MCULE-5814450211 [0,0,0,0,2,0|2,0,0]=4 39 B14R2.31359 CC(C)C1=NC=CC2=C1C=CC=C2 MCULE-3101470334 [0,0,0,0,2,0|1,0,1]=4 40 B14R2.31359 CN(C)C1=CN=CC2=CC=CC=C12 MCULE-3374765318 [0,0,0,0,2,0|2,0,0]=4 41 B14R2.31359 O=C(O)C1=NN=CC2=C1C=CC=C2 MCULE-4659419073 [0,0,0,0,2,0|2,0,0]=4