0  B13R2.1  C=CCn1cnc2c1cccc2 CSC000172043 [0,0,0,0,0,0|2,0,2]=4
1  B13R2.1  N#CCn1cnc2c1cccc2 CSC000169820 [0,0,0,0,0,0|1,0,3]=4
2  B13R2.1  NCCN1CCc2c1cccc2 CSC000746702 [0,0,0,0,0,0|2,0,1]=3
3  B13R2.1  OCCn1cnc2c1cccc2 CSC011203609 [0,0,0,0,0,0|2,0,1]=3
4  B13R2.1  OCCn1nnc2c1cccc2 CSC000045211 [0,0,0,0,0,0|3,0,1]=4
5  B14R2.2  NC(=O)Cn1ccc2c1cccc2 CSC011424896 [0,1,0,0,0,0|2,0,1]=4
6  B14R2.3  CCCCn1cnc2c1cccc2 CSC000185663 [0,1,0,0,0,0|2,0,1]=4
7  B14R2.3  CCNCc1cnn2c1cccc2 CSC011843896 [0,1,0,0,0,0|2,0,1]=4
8  B14R2.3  NCCCN1CCc2c1cccc2 CSC011191709 [0,1,0,0,0,0|2,0,1]=4
9  B14R2.95  NNC(=O)c1csc2c1cccc2 CSC000239984 [0,1,0,0,0,0|2,0,1]=4
10  B14R2.467  NCCN1CCc2c1ccc(c2)Br CSC010969869 [0,1,0,0,0,0|2,0,1]=4
11  B14R2.517  OCCn1c2ccccc2oc1=O CSC000753243 [0,1,0,0,0,0|3,0,0]=4
12  B14R2.6419  NCCN1CCc2c1cc(cc2)Br CSC010726055 [0,1,0,0,0,0|2,0,1]=4
13  B12R1.8  CCCCCNc1ccccc1 CSC000219563 [0,0,1,0,0,0|1,0,2]=4
14  B12R1.308  CCNC(=O)c1ccccc1N CSC000205978 [0,0,1,0,0,0|3,0,0]=4
15  B14R2.112  CCSc1ccc2ccccc2c1 CSC000000182 [0,0,0,0,0,1|3,0,0]=4
16  B14R2.112  CSCc1ccc2ccccc2c1 CSC000053063 [0,0,0,0,0,1|3,0,0]=4
17  B14R2.112  NCCN1CCc2ccccc2C1 CSC000246800 [0,0,0,0,0,1|2,0,1]=4
18  B14R2.7150  CCNc1cccc2c1cccc2 CSC000185437 [0,0,0,0,0,1|3,0,0]=4
19  B11R1.16  CN(CCN)c1ccccc1 CSC000231046 [1,0,1,0,0,0|1,0,1]=4
20  B11R1.28  CCCCNc1ccccc1 CSC000211623 [1,0,1,0,0,0|0,0,2]=4
21  B13R1.42  CCCC(=O)NNc1ccccc1 CSC000001586 [0,1,1,0,0,0|2,0,0]=4
22  B13R1.44  NCCCC(=O)Nc1cccnc1 CSC011211775 [0,1,1,0,0,0|1,0,1]=4
23  B13R1.44  NCCCC(=O)Nc1ccncc1 CSC011225878 [0,1,1,0,0,0|1,0,1]=4
24  B13R1.44  NCCNC(=O)Nc1ccccc1 CSC011374578 [0,1,1,0,0,0|1,0,0]=3
25  B13R1.44  OCCNC(=O)Nc1ccccc1 CSC000212871 [0,1,1,0,0,0|2,0,0]=4
26  B13R1.674  CCCNC(=O)c1ccccc1N CSC000181257 [0,1,1,0,0,0|2,0,0]=4
27  B13R1.674  Cc1ccccc1C(=O)NCCN CSC011198457 [0,1,1,0,0,0|2,0,0]=4
28  B13R1.674  NCCNC(=O)c1ccccc1F CSC000743724 [0,1,1,0,0,0|2,0,0]=4
29  B13R1.674  NCCNC(=O)c1ccccc1O CSC000744561 [0,1,1,0,0,0|2,0,0]=4
30  B13R2.72  NC(=O)c1csc2c1cccc2 CSC000242011 [1,1,0,0,0,0|1,0,1]=4
31  B15R2.352  CCCOc1ccc2ccccc2c1 CSC000005839 [0,1,0,0,0,1|2,0,0]=4
32  B15R2.352  CCCSc1ccc2ccccc2c1 CSC048195454 [0,1,0,0,0,1|2,0,0]=4
33  B15R2.352  OCCOc1ccc2ccccc2c1 CSC011219602 [0,1,0,0,0,1|2,0,0]=4
34  B15R2.352  OCCSc1ccc2ccccc2c1 CSC000193269 [0,1,0,0,0,1|2,0,0]=4
35  B15R2.1668  NC(=O)Cc1ccc2ccccc2c1 CSC000162105 [0,1,0,0,0,1|1,0,1]=4
36  B15R2.18471  CCNCc1cccc2c1cccc2 CSC000180870 [0,1,0,0,0,1|2,0,0]=4
37  B15R2.18471  OCCNc1cccc2c1cccc2 CSC011232937 [0,1,0,0,0,1|2,0,0]=4
38  B15R2.18471  OCCOc1cccc2c1cccc2 CSC011305859 [0,1,0,0,0,1|2,0,0]=4
39  B15R2.68122  NC(=O)Cc1cccc2c1cccc2 CSC000162161 [0,1,0,0,0,1|1,0,1]=4
40  B15R2.53147  Cn1cc(c2c1cccc2)CC(=O)N CSC000056297 [0,2,0,0,0,0|0,0,1]=3
41  B15R2.6  NC(=O)CCc1c[nH]c2c1cccc2 CSC000162151 [0,2,0,0,0,0|0,0,0]=2
42  B15R2.6  NC(=O)CCn1ccc2c1cccc2 CSC000186763 [0,2,0,0,0,0|2,0,0]=4
43  B15R2.73  CCOC(=O)c1c[nH]c2c1cccc2 CSC011211493 [0,2,0,0,0,0|1,0,1]=4
44  B13R1.470  CCCC(=O)Nc1ccccc1N CSC011203044 [0,0,1,0,0,1|2,0,0]=4
45  B13R1.470  Cc1ccccc1NC(=O)CCN CSC011202973 [0,0,1,0,0,1|2,0,0]=4