0  B44R6.640769376  CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=C(N5C)C=CC=C6)C MCULE-8479555254 [0,0,0,0,0,0|0,0,0]=0
1  B44R6.640769376  CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=NC6=C(N5C)C=CC=C6)C MCULE-9492069866 [0,0,0,0,0,0|0,0,1]=1
2  B45R6.144945975  CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C5=NC6=CC=CC=C6N5C)C MCULE-7499250649 [0,1,0,0,0,0|0,0,0]=1