0  B18R3.570036  NC1=CC2=NC3=C(C=CC([NH3+])=C3)C=C2C=C1 M12778 [0,0,0,0,0,0|0,0,1]=1
1  B18R3.570036  NC1=CC2=[S+]C3=C(C=CC(N)=C3)N=C2C=C1 M24783 [0,0,0,0,0,0|2,0,0]=2
2  B18R3.570036  Nc1ccc2cc3ccc(N)cc3nc2c1 M24977 [0,0,0,0,0,0|0,0,0]=0
3  B18R3.570036  O=C1C=CC2=NC3=CC=C([O-])C=C3OC2=C1 M24297 [0,0,0,0,0,0|4,0,0]=4
4  B18R3.570036  O=C1C=CC2=Nc3ccc(O)cc3OC2=C1 M24646 [0,0,0,0,0,0|4,0,0]=4
5  B17R3.3205  ClC1=CC2=C(C=C1)SC3=CC=CC=C3N2 M16619 [1,0,0,0,0,0|2,0,1]=4
6  B19R3.2152927  C[n+]1c2cc(N)ccc2cc3ccc(N)cc31 M27171 [0,1,0,0,0,0|0,0,1]=2
7  B17R3.30284  BrC1=CC=C2C(=C1)NC3=C2C=CC(Br)=C3 M29528 [0,0,0,0,1,0|2,0,1]=4
8  B17R3.31627  BrC1=CC=C2NC3=C(C=C(Br)C=C3)C2=C1 M29529 [0,0,0,0,1,0|3,0,0]=4
9  B17R3.31627  IC1=CC=C2NC3=C(C=C(I)C=C3)C2=C1 M29539 [0,0,0,0,1,0|3,0,0]=4
10  B16R3.1720  C1=CC=C2N=C3C=CC=CC3=CC2=C1 M19491 [2,0,0,0,0,0|0,0,0]=2
11  B16R3.1720  C1=CC=C2SC3=C(C=CC=C3)NC2=C1 M16650 [2,0,0,0,0,0|1,0,1]=4
12  B16R3.1720  c1ccc2c(c1)Sc3ccccc3S2 M27242 [2,0,0,0,0,0|2,0,0]=4
13  B18R3.3608  Nc1cc2nc3ccccc3oc2cc1=O M28095 [1,1,0,0,0,0|1,0,0]=3
14  B18R3.52086  Nc1ccc2c(c1)C(=O)c3ccccc3N2 M24191 [1,1,0,0,0,0|2,0,0]=4
15  B16R3.2637  Nc1ccc-2c(c1)Cc3ccccc32 M27386 [1,0,0,0,1,0|1,0,0]=3