0  B13R2.64  C(C1=NCCN1)c2ccccc2 T1680 [0,0,0,0,0,0|2,0,1]=3
1  B13R2.64  C(C1=NCCN1)c2ccccc2 T21447 [0,0,0,0,0,0|2,0,1]=3
2  B13R2.64  C(c1cnc[nH]1)c2ccncc2 T22864 [0,0,0,0,0,0|1,0,2]=3
3  B14R3.49  c1[nH]sc2nc3ccccc3c12 T25174 [0,0,0,1,0,0|3,0,0]=4
4  B12R2.2  c1[nH]nnc1-c2cccnc2 T4108 [0,0,0,0,1,0|2,0,0]=3
5  B12R2.2  c1ccn(c1)-c2ccccc2 T20373 [0,0,0,0,1,0|3,0,0]=4
6  B12R2.98  C(c1ccco1)n2cccc2 T8009 [0,0,0,0,1,0|3,0,0]=4
7  B14R2.6  N(c1ccccc1)c2ccccc2 T8048 [0,0,0,0,0,1|3,0,0]=4
8  B14R2.6  S(c1ccccc1)c2ccccc2 T0574 [0,0,0,0,0,1|3,0,0]=4
9  B11R1.40  C=CC(Nc1ccccc1)=O T9322 [1,0,1,0,0,0|2,0,0]=4
10  B13R1.348  NC(N)=N/C(N)=N/c1ccccc1 T7135 [0,1,1,0,0,0|2,0,0]=4
11  B13R1.418  O/N=C(/Cc1ccccc1)C(O)=O T24140 [0,1,1,0,0,0|2,0,0]=4
12  B13R2.10  S=C1NC(C2=CC=NC=C2)=CN1 T28690 [0,1,0,0,1,0|1,0,1]=4
13  B13R2.12  Clc1ccc(cc1)-c2c[nH]cn2 T26388 [0,1,0,0,1,0|0,0,0]=2
14  B15R2.31  Nc1ncnc(Nc2ccccc2)n1 T29946 [0,1,0,0,0,1|1,0,1]=4
15  B15R2.38  Cc1ccccc1Oc2cccnn2 T31092 [0,1,0,0,0,1|2,0,0]=4
16  B15R2.2226  ClC(c1ccccc1)c2ccccc2 T20360 [0,1,0,0,0,1|2,0,0]=4
17  B15R2.2226  NC(c1ccccc1)c2ccccc2 T30373 [0,1,0,0,0,1|2,0,0]=4
18  B15R2.2226  O=C(c1ccccc1)c2cccnc2 T20608 [0,1,0,0,0,1|1,0,1]=4
19  B15R2.64  N[C@@H](Cc1ccccc1)c2nccs2 T19620 [0,1,0,0,0,1|2,0,0]=4
20  B15R2.98  Nc1ncc(Cc2ccc(Br)cc2)s1 T12255 [0,2,0,0,0,0|1,0,1]=4
21  B15R2.1109  Cc1cccc(Cc2c[nH]cn2)c1C T6464 [0,2,0,0,0,0|0,0,0]=2
22  B15R2.1109  Cc1cccc(Cc2cnc[nH]2)c1C T22719 [0,2,0,0,0,0|0,0,2]=4
23  B13R2.45  N/C=C1\Cc2ccccc2C1=O T31576 [0,0,1,1,0,0|2,0,0]=4
24  B15R3.3  C1C2=C(CNCC2)c3ccccc13 T27924 [0,0,0,1,0,1|1,0,1]=4
25  B15R3.3  c1ccc2c(c1)[nH]c3cnccc23 T4024 [0,0,0,1,0,1|2,0,0]=4
26  B15R2.2195  C(Nc1ccccc1)c2ccccc2 T0651 [0,0,0,0,0,2|2,0,0]=4
27  B15R2.2195  c1ccc(cc1)C#Cc2cccnc2 T50090 [0,0,0,0,0,2|1,0,1]=4
28  B15R2.2196  C(Cc1c[nH]nn1)Cc2ccccc2 T24654 [0,0,0,0,0,2|1,0,0]=3