0 B11R1.28 C=CCCNC1=CC=CC=C1 BB58-4953 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 N#CCCCC1=NC=CC=C1 BB54-3757 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.28 NCCCCC1=NC=CC=C1 BB54-4080 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.28 NCCOCC1=CC=CC=C1 BB55-4803 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [0,0,0,0,0,0|2,1,1]=4 7 B11R1.28 S=C=NCCC1=CC=CC=C1 BB54-2698 [0,0,0,0,0,0|0,0,0]=0 8 B10R1.17 BrCCCC1=CN=CC=C1 BB54-3595 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.17 ClCCCC1=CC=NC=C1 BB57-3431 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.17 NCCCC1=CC=CC=N1 BB54-0788 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.17 NCCCC1=CC=NC=C1 BB57-3430 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.17 OCCCC1=CC=NC=C1 BB57-6720 [1,0,0,0,0,0|1,1,1]=4 15 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [1,0,0,0,0,0|1,0,2]=4 16 B12R1.8 NCCCNCC1=CC=CC=C1 BB05-3473 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.252 CC(=O)NCCC1=CC=CC=C1 BB01-7779 [0,1,0,0,0,0|0,1,2]=4 18 B12R1.252 NC(=O)NCCC1=CC=CC=C1 BB01-7605 [0,1,0,0,0,0|0,1,2]=4 19 B12R2.1 O=NN1CCC2=CC=CC=C21 BB01-7429 [0,0,0,1,0,0|1,1,1]=4 20 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,0,0,1,0,0|2,0,1]=4 21 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB54-4953 [0,0,0,1,0,0|1,0,2]=4 22 B12R2.1081 NN1CCCC2=CC=CC=C21 BB55-4758 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.21 S=C=NCCC1=CC=CS1 BB55-6127 [0,0,0,0,1,0|1,0,0]=2 24 B9R1.8 BrCCC1=NC=CC=C1 BB54-3597 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.8 ClCCC1=NC=CC=C1 BB54-3546 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.8 NOCC1=CC=CC=C1 BB05-2313 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.8 O=C=NC1=CC=NC=C1 BB01-6559 [2,0,0,0,0,0|1,1,0]=4 28 B9R1.8 OCCC1=NC=CC=C1 BB01-4800 [2,0,0,0,0,0|1,1,0]=4 29 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [2,0,0,0,0,0|0,0,2]=4 30 B11R1.1 CC1=CC=C(CCCN)C=C1 BB58-0569 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.1 CC1=CC=C(CCCO)C=C1 BB32-2521 [1,1,0,0,0,0|0,1,1]=4 32 B11R1.1 NCCCC1=CC=C(Cl)C=C1 BB54-2040 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.1 NCCCC1=CC=C(F)C=C1 BB58-0570 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.16 CC(N=C=O)C1=CC=CC=C1 BB12-1551 [1,1,0,0,0,0|0,1,0]=3 35 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [1,1,0,0,0,0|0,0,2]=4 36 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.17 NCCCC1=C(Cl)C=CC=C1 BB58-0571 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.24 CC1=CC=CC(CCCN)=C1 BB58-0568 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.24 CC1=CC=CC(CCCO)=C1 BB31-8239 [1,1,0,0,0,0|0,1,1]=4 40 B11R1.24 ClC1=CC=CC(CCCBr)=C1 BB31-7544 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.24 N#CCCC1=CC=CC(Br)=C1 BB32-1657 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.24 O=C=NCC1=CC=CC(F)=C1 BB57-0297 [1,1,0,0,0,0|0,1,0]=3 43 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [1,1,0,0,0,0|0,1,1]=4 45 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB53-1939 [1,1,0,0,0,0|0,1,1]=4 46 B11R1.91 N=C(N)CCC1=CC=CC=C1 BB57-1742 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.91 NC(=S)CCC1=NC=CC=C1 BB54-4361 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.12 O=C=NCC1=CC=CS1 BB12-1538 [1,0,0,0,1,0|1,1,0]=4