0  B46R5.17974825959  C=CC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4[N-]C(=CC5=NC(=C2)C(=C5C)C=C)C(=C4CCC(=O)O)C)CCC(=O)O)C)C Molport-046-426-998 [0,0,0,0,0,0|0,0,3]=3
1  B46R5.17974825959  C=CC1=C2C=C3N=C(C=C4[N-]C(=CC5=NC(=CC(=C1C)[N-]2)C(=C5C)C=C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O Molport-046-589-532 [0,0,0,0,0,0|0,0,4]=4
2  B46R4.8142147203  C=CC1=C(/C(=C/C2=N/C(=C\C3=C(C(=C(N3)/C=C/4\NC(=O)C(=C4C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O)C Molport-044-561-562 [0,1,1,0,0,0|1,0,1]=4
3  B46R4.8142147203  C=CC1=C(/C(=C/C2=N/C(=C\C3=C(C(=C(N3)/C=C/4\NC(=O)C(=C4C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O)C Molport-046-682-782 [0,1,1,0,0,0|1,0,1]=4