0  B11R1.91  N=C(N)CCC1=CC=CC=C1 4091002 [1,0,0,0,0,0|2,0,1]=4
1  B11R1.91  N=C(N)NCC1=CC=CC=C1 4087928 [1,0,0,0,0,0|3,0,0]=4
2  B11R1.91  N=C(N)NCC1=CC=CC=C1 4089197 [1,0,0,0,0,0|3,0,0]=4
3  B11R1.91  O=C(O)\C=C\C1=CC=CN=C1 3020214 [1,0,0,0,0,0|1,0,1]=3
4  B13R1.133  CC(OC1=CC=C(Br)C=C1)C(=O)O 3013843 [0,1,0,0,0,0|2,0,1]=4
5  B13R1.148  CC1=CC(OC(C)C(=O)O)=CC=C1 3013839 [0,1,0,0,0,0|2,0,1]=4
6  B13R1.152  CN(C)C(=O)C(N)C1=CC=CC=C1 4088686 [0,1,0,0,0,0|3,0,0]=4
7  B13R2.369  NC1CC2=CC=CC=C2NC1=O 3002841 [0,0,0,1,0,0|2,0,1]=4
8  B13R2.435  O=C(O)C1=NC2=C(N=CC=C2)N1 4042970 [0,0,0,1,0,0|3,0,0]=4
9  B13R2.435  O=C(O)C1=NC2=CC=CC=C2O1 4088837 [0,0,0,1,0,0|1,0,1]=3
10  B13R2.435  O=C(O)C1=NC2=CC=CC=C2S1 4087999 [0,0,0,1,0,0|1,1,0]=3
11  B13R1.348  CN(CC(=O)O)CC1=CC=CC=C1 4040865 [0,0,0,0,0,1|2,0,0]=3
12  B13R1.351  CC(NCC1=CC=CC=C1)C(=O)O 4088850 [0,0,0,0,0,1|1,0,1]=3
13  B10R1.18  CC(=O)CC1=CC=CN=C1 4090943 [2,0,0,0,0,0|1,0,1]=4
14  B12R1.34  CNC(=O)C(N)C1=CC=CC=C1 4090718 [1,1,0,0,0,0|2,0,0]=4
15  B12R1.34  NNC(=O)[C@@H](O)C1=CC=CC=C1 4065828 [1,1,0,0,0,0|2,0,0]=4
16  B12R1.371  NNC(=O)CC1=C(Cl)C=CC=C1 3015351 [1,1,0,0,0,0|2,0,0]=4
17  B12R1.107  CN(CC(=O)O)C1=CC=CC=C1 4089836 [1,1,0,0,0,0|1,0,1]=4
18  B12R1.225  NC(C(=O)O)C1=CC=CC(O)=C1 4090636 [0,1,0,0,1,0|1,0,1]=4
19  B12R1.253  CC(N)(C(=O)O)C1=CC=CC=C1 4090016 [0,1,0,0,1,0|1,0,1]=4
20  B14R1.698  CC(=O)CC(=O)NC1=CC=C(Br)C=C1 5136053 [0,1,0,0,0,1|2,0,0]=4
21  B14R2.768  O=C(O)CC1=NC2=CC=CC=C2O1 4088452 [0,0,0,1,0,1|1,0,1]=4
22  B14R2.768  O=C(O)CN1CC2=CC=CC=C2C1 4090659 [0,0,0,1,0,1|2,0,0]=4
23  B14R2.4529  O=C(O)C1=CC2=CC(Cl)=CC=C2N1 3020063 [0,1,0,1,0,0|1,0,1]=4
24  B14R2.4529  O=C(O)C1CC2=CC(Cl)=CC=C2N1 4088289 [0,1,0,1,0,0|1,0,1]=4
25  B14R2.450  CC1=C(C(=O)O)NC2=CC=CC=C21 4140536 [0,1,0,1,0,0|1,0,1]=4
26  B14R2.450  CC1=C(C(=O)O)OC2=C1C=CC=C2 3002588 [0,1,0,1,0,0|0,0,2]=4
27  B14R2.450  CN1C(C(=O)O)=NC2=C1C=CC=C2 4400229 [0,1,0,1,0,0|2,0,0]=4