0  B14R1.29  CCOC(=O)CC(=O)C1=CC=NC=C1 SPC-g544 [0,1,0,0,0,0|1,0,1]=3
1  B12R1.32  CCOC(=O)CC1=CN=CC=C1 SPC-t172 [0,0,0,0,1,0|1,0,1]=3
2  B12R1.32  CCOC(=O)CC1=NC=CC=C1 SPC-k195 [0,0,0,0,1,0|1,0,1]=3
3  B12R1.32  CCOC(=O)CC1=NN=CC=C1 SPC-m727 [0,0,0,0,1,0|2,0,1]=4
4  B11R1.91  CC(=O)CCC1=CC=CC=C1 SPC-k266 [2,0,0,0,0,0|0,0,2]=4
5  B11R1.91  O=C(O)\C=C\C1=NC=CC=N1 SPC-u834 [2,0,0,0,0,0|2,0,0]=4
6  B13R1.19  CCOC(=O)CC1=NC=C(Br)C=C1 SPC-h392 [0,1,0,0,1,0|1,0,1]=4
7  B13R1.19  CCOC(=O)CC1=NC=C(I)C=C1 SPC-j673 [0,1,0,0,1,0|1,0,1]=4
8  B13R1.19  CCOC(=O)CC1=NC=C(N)C=C1 SPC-j672 [0,1,0,0,1,0|1,0,1]=4
9  B13R1.19  CCOC(=O)CC1=NC=C(O)C=C1 SPC-j671 [0,1,0,0,1,0|1,0,1]=4
10  B13R1.20  CCOC(=O)CC1=CC(F)=CN=C1 SPC-m552 [0,1,0,0,1,0|1,0,1]=4
11  B13R1.47  CCOC(=O)C(=O)C1=NC=CC=C1 SPC-m233 [0,1,0,0,1,0|1,0,0]=3
12  B13R1.470  CCOC(=O)CC1=CC=CN=C1Cl SPC-h279 [0,1,0,0,1,0|1,0,1]=4
13  B15R1.578  CCOC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 SPC-u017 [0,2,0,0,0,0|0,0,2]=4
14  B13R1.460  CCOC(=O)C1=CC(C=O)=NC=C1 SPC-t176 [0,0,1,1,0,0|2,0,0]=4
15  B13R2.10  O=C1CC[C@@H](C2=CC=CC=C2)N1 SPC-t954 [1,0,0,1,0,0|1,0,1]=4
16  B15R2.73  CCOC(=O)C1=C2C=CC=CN2N=C1 SPC-k736 [0,0,0,1,0,1|1,0,0]=3
17  B15R2.73  CCOC(=O)C1=C2C=NC=CN2C=N1 SPC-t503 [0,0,0,1,0,1|2,0,0]=4
18  B15R2.73  CCOC(=O)C1=C2N=CC=CN2N=C1 SPC-q038 [0,0,0,1,0,1|2,0,0]=4
19  B15R2.73  CCOC(=O)C1=NC=C2C=CC=CN21 SPC-v212 [0,0,0,1,0,1|1,0,0]=3
20  B15R2.73  CCOC(=O)C1=NNC2=C1C=CN=C2 SPC-k253 [0,0,0,1,0,1|2,0,0]=4
21  B15R2.73  CCOC(=O)C1=NNC2=CC=CN=C21 SPC-h580 [0,0,0,1,0,1|2,0,0]=4
22  B15R2.395  O=C1CCCN1C(=O)C2=CC=CC=C2 SPC-s760 [0,1,0,1,0,0|2,0,0]=4
23  B15R2.1356  CCOC(=O)C1=CC2=C(C=CC=N2)N1 SPC-h217 [0,1,0,1,0,0|1,0,0]=3
24  B15R2.1356  CCOC(=O)C1=CC2=C(C=NC=C2)N1 SPC-h548 [0,1,0,1,0,0|1,0,0]=3
25  B15R2.1356  CCOC(=O)C1=CN2C=CN=CC2=N1 SPC-q036 [0,1,0,1,0,0|2,0,0]=4
26  B11R1.40  COC(=O)CC1=NC=CC=C1 SPC-j372 [1,0,0,0,1,0|1,0,1]=4
27  B15R1.778  CCOC(=O)CCNCC1=CC=CC=C1 SPC-t178 [0,0,0,0,0,2|0,0,2]=4