0  B13R1.45  CN(C)\C=C\C(=O)C1=CC=NC=C1 BB52-0521 [0,0,0,0,0,0|3,0,1]=4
1  B13R1.45  CN(C)\C=C\C(=O)C1=CN=CC=C1 BB52-0522 [0,0,0,0,0,0|3,0,1]=4
2  B13R1.45  CN(C)\C=C\C(=O)C1=NC=CC=C1 BB52-0523 [0,0,0,0,0,0|3,0,1]=4
3  B13R1.45  O=C(O)CCC(=O)C1=CC=CC=C1 BB17-2250 [0,0,0,0,0,0|3,0,1]=4
4  B13R1.45  O=C(O)CNC(=O)C1=CC=CC=C1 BB57-0205 [0,0,0,0,0,0|3,0,1]=4
5  B12R1.30  CCCCC(=O)C1=CC=CC=C1 BB17-2231 [1,0,0,0,0,0|1,0,0]=2
6  B12R1.252  CC(C)CNCC1=CC=CC=C1 BB58-4354 [1,0,0,0,0,0|1,0,1]=3
7  B12R1.252  CC(O)CNCC1=CC=CC=C1 BB58-2125 [1,0,0,0,0,0|2,0,1]=4
8  B14R1.149  CN(C)\C=C\C(=O)C1=CC=CC(Cl)=C1 BB57-7235 [0,1,0,0,0,0|2,0,1]=4
9  B14R1.678  CC(C)COC(=O)C1=CC=C(O)C=C1 BB01-7992 [0,1,0,0,0,0|0,0,0]=1
10  B11R1.16  CCOC(=O)C1=NC=CN=C1 BB55-3073 [2,0,0,0,0,0|2,0,0]=4
11  B11R1.16  O=C(CCCl)C1=CC=CC=C1 BB01-6249 [2,0,0,0,0,0|1,0,0]=3
12  B13R1.17  CC1=CC=C(C(=O)NCCO)C=C1 BB53-1276 [1,1,0,0,0,0|2,0,0]=4
13  B13R1.18  O=C(NCCO)C1=CC(Cl)=CC=C1 BB57-6282 [1,1,0,0,0,0|2,0,0]=4
14  B13R1.674  CCCNC(=O)C1=C(N)C=CC=C1 BB55-6912 [1,1,0,0,0,0|1,0,0]=3
15  B13R1.674  NCCNC(=O)C1=C(O)C=CC=C1 BB58-4693 [1,1,0,0,0,0|2,0,0]=4
16  B13R1.351  CC(C)C(C)NCC1=CC=CC=C1 BB55-6528 [1,1,0,0,0,0|1,0,1]=4
17  B13R1.513  CC(C)CCOC1=CC=C(N)C=C1 BB01-4971 [1,1,0,0,0,0|2,0,0]=4
18  B13R1.132  CC(C)OC(=O)C1=CC=C(N)C=C1 BB17-0319 [0,1,0,0,1,0|0,0,0]=2
19  B13R1.147  CC(C)OC(=O)C1=CC=CC(N)=C1 BB17-0323 [0,1,0,0,1,0|0,0,0]=2
20  B15R1.65  COC1=CC=CC(C(=O)CCN(C)C)=C1 BB01-2861 [0,2,0,0,0,0|2,0,0]=4
21  B15R1.889  CC1=C(C)C=C(C(=O)CCN(C)C)C=C1 BB01-3606 [0,2,0,0,0,0|2,0,0]=4
22  B15R1.5815  O=C(OCC(O)CO)C1=CC=CC=C1O BB57-6575 [0,2,0,0,0,0|1,0,0]=3
23  B15R1.5  COC1=CC=C(C(=O)CCN(C)C)C=C1 BB55-6531 [0,2,0,0,0,0|2,0,0]=4
24  B13R1.90  CC(C)COC1=CC=CC=C1C=O BB05-1265 [0,0,1,1,0,0|2,0,0]=4
25  B13R1.90  CC(C)COC1=CC=CC=C1C=O BB55-0821 [0,0,1,1,0,0|2,0,0]=4
26  B13R1.643  CC(C)COC1=CC(C=O)=CC=C1 BB05-0096 [0,0,1,1,0,0|2,0,0]=4
27  B13R1.643  CC(C)COC1=CC(C=O)=CC=C1 BB55-0791 [0,0,1,1,0,0|2,0,0]=4
28  B13R2.5252  O=C1NCCOC2=CC=CC=C12 BB01-2505 [1,0,0,1,0,0|2,0,0]=4
29  B13R2.2382  C1=CC=C(COCC2CO2)C=C1 BB01-7917 [1,0,0,1,0,0|1,0,1]=4
30  B15R2.993  CC(C)CN1C2=CC=CC=C2N=C1S BB57-1881 [0,0,0,1,0,1|1,1,0]=4
31  B15R2.24965  CC(C)N1C(=O)C(=O)C2=CC=CC=C21 BB17-2270 [0,1,0,1,0,0|2,0,0]=4
32  B15R2.39201  CC(C)N1C=C(C=O)C2=C1C=CC=C2 BB01-4580 [0,1,0,1,0,0|2,0,0]=4
33  B11R1.29  CCCCC(=O)C1=CC=CS1 BB01-1187 [1,0,0,0,1,0|2,0,0]=4
34  B11R1.91  C=C(C)COC1=CC=CC=C1 BB58-4833 [1,0,0,0,1,0|0,0,2]=4
35  B11R1.91  CC(C)NCC1=CC=CC=C1 BB57-0208 [1,0,0,0,1,0|1,0,1]=4
36  B11R1.91  CC(N)CCC1=CC=CC=C1 BB01-6051 [1,0,0,0,1,0|1,0,1]=4
37  B11R1.36  CC(Br)C(=O)C1=CC=CC=C1 BB01-6272 [0,0,0,0,2,0|1,0,0]=3
38  B11R1.36  CC(C)C(=O)C1=CC=CC=C1 BB01-6345 [0,0,0,0,2,0|0,0,0]=2