0  B12R1.385  CCCCC1=CC(=C(C=C1)C)N Z1262626215 [0,0,0,0,0,0|4,0,0]=4
1  B12R1.385  CCCCC1=CC(=C(C=C1)O)C Z1416171318 [0,0,0,0,0,0|3,0,1]=4
2  B12R1.385  CCCCC1=NC=C(C(=C1)C)N Z1994825572 [0,0,0,0,0,0|3,0,0]=3
3  B11R1.1  CCCCC1=CC=C(C=C1)N Z104475500 [1,0,0,0,0,0|3,0,0]=4
4  B11R1.1  CCCCC1=NC=C(C=N1)N Z1318447164 [1,0,0,0,0,0|3,0,0]=4
5  B11R1.24  CCCCC1=NC=NC(=C1)Cl Z1201628792 [1,0,0,0,0,0|3,0,0]=4
6  B11R1.24  CCCOC1=CC(=CC=C1)O Z381415572 [1,0,0,0,0,0|3,0,0]=4
7  B11R1.24  CNCCC1=CC(=CC=C1)O Z4924737523 [1,0,0,0,0,0|3,0,0]=4
8  B11R1.24  CNCCC1=NC(=CC=N1)O Z3023572741 [1,0,0,0,0,0|3,0,0]=4
9  B11R1.24  COCCC1=CC(=CC=C1)O Z1513911027 [1,0,0,0,0,0|3,0,0]=4
10  B11R1.24  NCCCC1=CC(=CC=C1)O Z1895582955 [1,0,0,0,0,0|3,0,0]=4
11  B13R1.577  CCCOC1=CC(=C(C=C1)C=O)O Z56862359 [0,1,0,0,0,0|3,0,0]=4
12  B13R2.32  O=C1NN=C2COCCN2C1=O Z4167933203 [0,0,0,1,0,0|2,0,1]=4
13  B13R2.32  OC1=C2CNCCC2=NC=C1Br Z3003073340 [0,0,0,1,0,0|3,0,0]=4
14  B13R2.369  CC1=NC2=C(CCCC2)NC1=O Z3417289247 [0,0,0,1,0,0|3,0,0]=4
15  B13R2.369  NC1=CC2=C(CCCC2)NC1=O Z1198223694 [0,0,0,1,0,0|2,0,0]=3
16  B13R2.369  O=C1NC2=C(C=C1Br)CCCC2 Z1269215692 [0,0,0,1,0,0|2,0,0]=3
17  B10R1.1  CCNC1=CNC(=O)C=C1 Z5871830340 [2,0,0,0,0,0|2,0,0]=4
18  B10R1.17  CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|2,0,0]=4
19  B10R1.17  CCNCC1=NC=CC=C1 Z90513146 [2,0,0,0,0,0|2,0,0]=4
20  B10R1.17  CCSCC1=NC=CC=C1 Z1607601848 [2,0,0,0,0,0|2,0,0]=4
21  B10R1.17  CNCCC1=NC=CC=C1 Z2238930991 [2,0,0,0,0,0|2,0,0]=4
22  B10R1.17  NCCCC1=NC=CC=C1 Z600381818 [2,0,0,0,0,0|2,0,0]=4
23  B12R1.1  CCCCOC1=NC=C(C=C1)N Z409191158 [1,1,0,0,0,0|2,0,0]=4
24  B12R1.71  CCCCC1=CC=C(C=C1)C=O Z385369906 [1,1,0,0,0,0|2,0,0]=4
25  B12R1.100  CCCCC1=CC(=CC(=C1)O)O Z1513806573 [1,1,0,0,0,0|2,0,0]=4
26  B12R1.380  CCCCC1=NC(=C(N1)Cl)C=O Z1741971718 [0,1,0,0,1,0|2,0,0]=4
27  B12R1.27  C=CC(=O)NCC1=CCCCC1 Z2236848230 [0,0,1,1,0,0|2,0,0]=4
28  B12R2.24  ClC1=NN=C2CCCCC2=C1 Z935132528 [1,0,0,1,0,0|1,0,1]=4
29  B12R2.24  O=C1C=C2CCCCC2=CN1 Z1203746588 [1,0,0,1,0,0|1,0,0]=3
30  B12R2.24  O=C1C=C2CCCCC2=NN1 Z56886574 [1,0,0,1,0,0|0,0,0]=2
31  B12R2.24  O=C1C=C2CCNCC2=NN1 Z3300776534 [1,0,0,1,0,0|1,0,0]=3
32  B12R2.24  O=C1C=C2CCOCC2=CN1 Z1509160870 [1,0,0,1,0,0|2,0,0]=4
33  B12R2.24  O=C1C=C2COCCC2=NN1 Z1013742988 [1,0,0,1,0,0|1,0,0]=3
34  B12R2.24  O=C1C=C2NCCCC2=NN1 Z1827020799 [1,0,0,1,0,0|1,0,0]=3
35  B12R2.24  O=C1C=CC2=C(N1)CCCC2 Z1198153259 [1,0,0,1,0,0|1,0,0]=3
36  B12R2.24  O=C1C=CC2=C(N1)CCNC2 Z3234963668 [1,0,0,1,0,0|2,0,0]=4
37  B12R2.24  OC1=CC2=C(CCCC2)N=C1 Z1255357750 [1,0,0,1,0,0|1,0,1]=4
38  B12R2.2302  BrC1=CN=C(C=C1)C2CCC2 Z1269236361 [1,0,0,1,0,0|2,0,0]=4
39  B12R2.1081  NC1=C2CCCCC2=NC=C1 Z1203583324 [1,0,0,1,0,0|2,0,0]=4
40  B12R2.1081  OC1=C2CCCCC2=CC=C1 Z274762958 [1,0,0,1,0,0|2,0,0]=4
41  B12R2.1081  OC1=C2CNCCC2=NC=C1 Z2953972929 [1,0,0,1,0,0|2,0,0]=4
42  B12R2.82  O=C1NN=C2CCCC2=C1O Z2327226096 [1,0,0,1,0,0|0,0,0]=2
43  B12R2.586  O=C1NN=C2N1CCCCC2 Z164707284 [0,0,0,1,1,0|2,0,0]=4
44  B14R2.203  N#CC1=C2CCCCC2=CNC1=O Z1198155242 [0,1,0,1,0,0|2,0,0]=4
45  B14R2.203  NCC1=C2CCCCC2=NNC1=O Z2867462260 [0,1,0,1,0,0|1,0,0]=3
46  B14R2.1128  N#CC1=CC2=C(CCCC2)NC1=O Z431947146 [0,1,0,1,0,0|2,0,0]=4
47  B14R2.1128  NCC1=CC2=C(CCCC2)NC1=O Z839026866 [0,1,0,1,0,0|2,0,0]=4
48  B14R2.1128  O=CC1=C(C=C2CCCCC2=C1)O Z1511747568 [0,1,0,1,0,0|2,0,0]=4
49  B14R2.92  O=CC1=CC=C2CCCCC2=C1O Z1511759037 [0,1,0,1,0,0|2,0,0]=4
50  B10R1.16  CCCCC1=NNC(=C1)N Z360168150 [1,0,0,0,1,0|1,0,0]=3
51  B10R1.16  CCCCC1=NOC(=C1)N Z360168704 [1,0,0,0,1,0|2,0,0]=4
52  B10R1.16  NC1=CC(=NN1)CCCO Z2732452346 [1,0,0,0,1,0|2,0,0]=4