0  B10R1.20  CCC1=C(CC)C=CC=C1 60317 [1,0,0,0,0,0|2,0,0]=3
1  B10R1.20  CCC1=C(OC)C=CC=C1 D90534 [1,0,0,0,0,0|3,0,0]=4
2  B10R1.20  COC1=C(CCl)C=CC=N1 36535 [1,0,0,0,0,0|3,0,0]=4
3  B10R1.25  CCC1=C(C)C=C(C)C=C1 T73021 [1,0,0,0,0,0|2,0,0]=3
4  B10R1.25  CNC1=NC=C(Br)C=C1C 72014 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.30  CC1=CC(CO)=C(C)C=C1 A11027 [1,0,0,0,0,0|3,0,0]=4
6  B12R1.46  COC1=C(C(C)C)C=C(C)C=C1 C74625 [0,1,0,0,0,0|3,0,0]=4
7  B12R1.57  COC1=C(C(C)C)C=CC(C)=C1 D91215 [0,1,0,0,0,0|3,0,0]=4
8  B12R1.448  COC1=C(OC)N=C(Br)C(Br)=N1 D87373 [0,1,0,0,0,0|3,0,0]=4
9  B12R2.24  NC1=CC2=C(C=C1)CCCC2 AB10169 [0,0,0,1,0,0|3,0,0]=4
10  B9R1.15  COC1=NC=CN=C1I H10462 [2,0,0,0,0,0|2,0,0]=4
11  B9R1.1  CCC1=CN=C(C)C=C1 D88165 [2,0,0,0,0,0|1,0,0]=3
12  B9R1.1  CNC1=CN=C(Br)C=N1 N10144 [2,0,0,0,0,0|2,0,0]=4
13  B9R1.69  CC1=C(O)N=CC(Br)=N1 F13810 [2,0,0,0,0,0|2,0,0]=4
14  B9R1.69  CC1=CN=C(Br)C(C)=N1 D94813 [2,0,0,0,0,0|1,0,0]=3
15  B9R1.69  CC1=CN=C(F)C(C)=C1 D84290 [2,0,0,0,0,0|2,0,0]=4
16  B11R1.41  CCOC1=C(NC)N=CC=C1 76843 [1,1,0,0,0,0|2,0,0]=4
17  B11R1.41  CCOC1=NC=CN=C1CC D90573 [1,1,0,0,0,0|0,0,0]=2
18  B11R1.81  CNCC1=C(C)C=C(C)C=C1 C78452 [1,1,0,0,0,0|2,0,0]=4
19  B11R1.278  CC1=CN=C(CCl)C(C)=C1Cl C10826 [1,1,0,0,0,0|2,0,0]=4
20  B11R1.167  CC1=CC([C@H](C)N)=C(C)C=C1 20075 [1,1,0,0,0,0|2,0,0]=4
21  B11R2.1  N[C@H]1CCC2=CC=CN=C21 87181 [1,0,0,1,0,0|2,0,0]=4
22  B11R2.10  CC1=NC2=C(CCNC2)S1 D81029 [0,0,0,1,1,0|2,0,0]=4
23  B13R2.57  COC1=CC2=C(C=C1)CCCC2 Y10210 [0,1,0,1,0,0|2,0,0]=4
24  B13R2.328  CC1=NC(C)=C2CCCCC2=N1 C16583 [0,1,0,1,0,0|2,0,0]=4
25  B13R2.155  CC1=CC2=C(C=C1)CC[C@H](C)N2 VT1240 [0,1,0,1,0,0|2,0,0]=4
26  B9R1.14  CCC1=CNC=C1CC F10353 [1,0,0,0,1,0|2,0,0]=4
27  B9R1.22  CC1=CC(CO)=C(C)O1 H10999 [1,0,0,0,1,0|2,0,0]=4
28  B9R1.22  CC1=NC(C)=C(CCl)S1 AT15039 [1,0,0,0,1,0|2,0,0]=4
29  B9R1.22  CC1=NC(C)=C(CO)O1 33335 [1,0,0,0,1,0|2,0,0]=4
30  B9R1.22  CC1=NN(C)C=C1CN AT13898 [1,0,0,0,1,0|2,0,0]=4
31  B9R1.22  CCC1=NC(N)=NN1C AT12116 [1,0,0,0,1,0|2,0,0]=4
32  B9R1.22  CCN1N=C(C)C=C1C C15108 [1,0,0,0,1,0|2,0,0]=4